USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.000734 K(o=-0.00073,f=-1.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.58) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0321 (180deg=-0.5) USER MOD Single : A 33 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.8!) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.107) USER MOD Single : B 10 ASN : amide:sc= -2.37 K(o=-2.4,f=-4.3!) USER MOD Single : B 12 THR OG1 : rot 100:sc= 1.33 USER MOD Single : B 13 HIS : no HD1:sc= -0.92 X(o=-0.92,f=-0.83) USER MOD Single : B 14 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -155:sc= -0.0204 (180deg=-0.983) USER MOD Single : B 23 GLN : amide:sc= -2.13! K(o=-2.1!,f=-2.7) USER MOD Single : B 24 ASN : amide:sc= -6.33! C(o=-6.3!,f=-17!) USER MOD Single : B 29 GLN : amide:sc= -0.351 K(o=-0.35,f=-4.9!) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -0.269 25.516 1.787 1.00 0.00 C HETATM 2 O ACE A 2 0.590 26.397 1.819 1.00 0.00 O HETATM 3 CH3 ACE A 2 -1.673 25.764 2.328 1.00 0.00 C HETATM 0 H1 ACE A 2 -2.401 25.625 1.528 1.00 0.00 H new HETATM 0 H2 ACE A 2 -1.882 25.061 3.134 1.00 0.00 H new HETATM 0 H3 ACE A 2 -1.742 26.783 2.708 1.00 0.00 H new ATOM 7 N CYS A 3 -0.047 24.302 1.287 1.00 0.00 N ATOM 8 CA CYS A 3 1.259 23.939 0.737 1.00 0.00 C ATOM 9 C CYS A 3 2.341 24.051 1.806 1.00 0.00 C ATOM 10 O CYS A 3 3.492 24.380 1.513 1.00 0.00 O ATOM 11 CB CYS A 3 1.620 24.849 -0.438 1.00 0.00 C ATOM 12 SG CYS A 3 2.741 23.975 -1.558 1.00 0.00 S ATOM 0 H CYS A 3 -0.746 23.560 1.251 1.00 0.00 H new ATOM 0 HA CYS A 3 1.200 22.908 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.717 25.148 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.092 25.761 -0.073 1.00 0.00 H new ATOM 17 N GLY A 4 1.960 23.776 3.050 1.00 0.00 N ATOM 18 CA GLY A 4 2.904 23.849 4.161 1.00 0.00 C ATOM 19 C GLY A 4 3.937 22.731 4.067 1.00 0.00 C ATOM 20 O GLY A 4 4.749 22.691 3.142 1.00 0.00 O ATOM 0 H GLY A 4 1.013 23.503 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.406 24.816 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.367 23.775 5.106 1.00 0.00 H new ATOM 24 N GLY A 5 3.894 21.822 5.036 1.00 0.00 N ATOM 25 CA GLY A 5 4.832 20.701 5.057 1.00 0.00 C ATOM 26 C GLY A 5 4.178 19.439 4.505 1.00 0.00 C ATOM 27 O GLY A 5 4.467 18.328 4.949 1.00 0.00 O ATOM 0 H GLY A 5 3.229 21.837 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.714 20.948 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.172 20.524 6.078 1.00 0.00 H new ATOM 31 N VAL A 6 3.293 19.624 3.530 1.00 0.00 N ATOM 32 CA VAL A 6 2.600 18.492 2.919 1.00 0.00 C ATOM 33 C VAL A 6 3.604 17.554 2.244 1.00 0.00 C ATOM 34 O VAL A 6 3.398 16.342 2.182 1.00 0.00 O ATOM 35 CB VAL A 6 1.568 18.990 1.892 1.00 0.00 C ATOM 36 CG1 VAL A 6 2.274 19.745 0.761 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.800 17.799 1.308 1.00 0.00 C ATOM 0 H VAL A 6 3.040 20.536 3.149 1.00 0.00 H new ATOM 0 HA VAL A 6 2.079 17.941 3.702 1.00 0.00 H new ATOM 0 HB VAL A 6 0.871 19.662 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.535 20.093 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.810 20.600 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.980 19.079 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.071 18.157 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.498 17.121 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.284 17.270 2.110 1.00 0.00 H new ATOM 47 N GLN A 7 4.691 18.133 1.738 1.00 0.00 N ATOM 48 CA GLN A 7 5.723 17.344 1.069 1.00 0.00 C ATOM 49 C GLN A 7 6.315 16.314 2.025 1.00 0.00 C ATOM 50 O GLN A 7 6.626 15.189 1.635 1.00 0.00 O ATOM 51 CB GLN A 7 6.844 18.253 0.559 1.00 0.00 C ATOM 52 CG GLN A 7 6.259 19.308 -0.382 1.00 0.00 C ATOM 53 CD GLN A 7 7.042 20.609 -0.238 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.480 21.644 0.118 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.321 20.616 -0.498 1.00 0.00 N ATOM 0 H GLN A 7 4.879 19.135 1.777 1.00 0.00 H new ATOM 0 HA GLN A 7 5.259 16.830 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.344 18.736 1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.596 17.662 0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.304 18.956 -1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.208 19.476 -0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.786 19.758 -0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.855 21.480 -0.406 1.00 0.00 H new ATOM 64 N ALA A 8 6.465 16.712 3.286 1.00 0.00 N ATOM 65 CA ALA A 8 7.018 15.816 4.297 1.00 0.00 C ATOM 66 C ALA A 8 6.042 14.680 4.588 1.00 0.00 C ATOM 67 O ALA A 8 6.415 13.507 4.594 1.00 0.00 O ATOM 68 CB ALA A 8 7.299 16.577 5.593 1.00 0.00 C ATOM 0 H ALA A 8 6.214 17.639 3.629 1.00 0.00 H new ATOM 0 HA ALA A 8 7.951 15.406 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.711 15.893 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.015 17.375 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.371 17.007 5.971 1.00 0.00 H new ATOM 74 N GLU A 9 4.784 15.045 4.827 1.00 0.00 N ATOM 75 CA GLU A 9 3.755 14.051 5.116 1.00 0.00 C ATOM 76 C GLU A 9 3.573 13.113 3.926 1.00 0.00 C ATOM 77 O GLU A 9 3.272 11.932 4.089 1.00 0.00 O ATOM 78 CB GLU A 9 2.421 14.734 5.420 1.00 0.00 C ATOM 79 CG GLU A 9 2.486 15.389 6.802 1.00 0.00 C ATOM 80 CD GLU A 9 1.325 16.366 6.957 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.193 15.912 6.964 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.585 17.552 7.069 1.00 0.00 O ATOM 0 H GLU A 9 4.456 16.011 4.826 1.00 0.00 H new ATOM 0 HA GLU A 9 4.075 13.478 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.203 15.484 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.612 14.005 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.440 14.627 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.434 15.912 6.924 1.00 0.00 H new ATOM 89 N GLU A 10 3.761 13.657 2.727 1.00 0.00 N ATOM 90 CA GLU A 10 3.617 12.864 1.510 1.00 0.00 C ATOM 91 C GLU A 10 4.764 11.865 1.389 1.00 0.00 C ATOM 92 O GLU A 10 4.583 10.742 0.918 1.00 0.00 O ATOM 93 CB GLU A 10 3.611 13.769 0.276 1.00 0.00 C ATOM 94 CG GLU A 10 2.705 13.164 -0.799 1.00 0.00 C ATOM 95 CD GLU A 10 2.328 14.240 -1.812 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.231 14.832 -2.380 1.00 0.00 O ATOM 97 OE2 GLU A 10 1.143 14.457 -2.004 1.00 0.00 O ATOM 0 H GLU A 10 4.011 14.634 2.572 1.00 0.00 H new ATOM 0 HA GLU A 10 2.670 12.327 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.259 14.765 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.624 13.882 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.216 12.342 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.807 12.750 -0.341 1.00 0.00 H new ATOM 104 N GLN A 11 5.949 12.290 1.820 1.00 0.00 N ATOM 105 CA GLN A 11 7.126 11.426 1.759 1.00 0.00 C ATOM 106 C GLN A 11 6.915 10.176 2.606 1.00 0.00 C ATOM 107 O GLN A 11 7.408 9.096 2.281 1.00 0.00 O ATOM 108 CB GLN A 11 8.363 12.170 2.267 1.00 0.00 C ATOM 109 CG GLN A 11 9.617 11.582 1.616 1.00 0.00 C ATOM 110 CD GLN A 11 9.966 12.383 0.366 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.154 12.497 -0.553 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.138 12.950 0.275 1.00 0.00 N ATOM 0 H GLN A 11 6.120 13.216 2.211 1.00 0.00 H new ATOM 0 HA GLN A 11 7.278 11.138 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.283 13.232 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.430 12.087 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.449 11.605 2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.448 10.537 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.811 12.856 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.381 13.487 -0.557 1.00 0.00 H new ATOM 121 N LYS A 12 6.174 10.336 3.699 1.00 0.00 N ATOM 122 CA LYS A 12 5.898 9.213 4.591 1.00 0.00 C ATOM 123 C LYS A 12 4.785 8.340 4.019 1.00 0.00 C ATOM 124 O LYS A 12 4.770 7.124 4.209 1.00 0.00 O ATOM 125 CB LYS A 12 5.473 9.718 5.972 1.00 0.00 C ATOM 126 CG LYS A 12 6.718 10.027 6.808 1.00 0.00 C ATOM 127 CD LYS A 12 6.308 10.283 8.259 1.00 0.00 C ATOM 128 CE LYS A 12 7.242 11.324 8.878 1.00 0.00 C ATOM 129 NZ LYS A 12 6.484 12.152 9.857 1.00 0.00 N ATOM 0 H LYS A 12 5.758 11.222 3.987 1.00 0.00 H new ATOM 0 HA LYS A 12 6.811 8.625 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.859 10.613 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.862 8.967 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.418 9.193 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.232 10.899 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.277 10.634 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.352 9.355 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.077 10.830 9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.664 11.959 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.119 12.860 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.701 12.634 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.102 11.541 10.606 1.00 0.00 H new ATOM 143 N LEU A 13 3.851 8.977 3.317 1.00 0.00 N ATOM 144 CA LEU A 13 2.733 8.252 2.721 1.00 0.00 C ATOM 145 C LEU A 13 3.208 7.426 1.529 1.00 0.00 C ATOM 146 O LEU A 13 2.838 6.262 1.377 1.00 0.00 O ATOM 147 CB LEU A 13 1.654 9.227 2.249 1.00 0.00 C ATOM 148 CG LEU A 13 0.904 9.786 3.461 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.367 11.178 3.131 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.262 8.859 3.808 1.00 0.00 C ATOM 0 H LEU A 13 3.845 9.983 3.148 1.00 0.00 H new ATOM 0 HA LEU A 13 2.319 7.590 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.107 10.040 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.959 8.720 1.580 1.00 0.00 H new ATOM 0 HG LEU A 13 1.583 9.852 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.167 11.576 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.197 11.839 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.313 11.114 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.797 9.255 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.941 8.795 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.120 7.866 4.043 1.00 0.00 H new ATOM 162 N ILE A 14 4.031 8.044 0.685 1.00 0.00 N ATOM 163 CA ILE A 14 4.552 7.359 -0.496 1.00 0.00 C ATOM 164 C ILE A 14 5.385 6.147 -0.087 1.00 0.00 C ATOM 165 O ILE A 14 5.128 5.024 -0.520 1.00 0.00 O ATOM 166 CB ILE A 14 5.420 8.312 -1.328 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.603 9.554 -1.693 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.875 7.614 -2.614 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.529 10.769 -1.765 1.00 0.00 C ATOM 0 H ILE A 14 4.349 9.007 0.794 1.00 0.00 H new ATOM 0 HA ILE A 14 3.704 7.027 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 14 6.294 8.601 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.104 9.406 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.823 9.721 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.491 8.296 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.456 6.727 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.002 7.321 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.948 11.654 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.007 10.920 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.292 10.600 -2.524 1.00 0.00 H new ATOM 181 N SER A 15 6.392 6.385 0.749 1.00 0.00 N ATOM 182 CA SER A 15 7.265 5.304 1.206 1.00 0.00 C ATOM 183 C SER A 15 6.458 4.213 1.906 1.00 0.00 C ATOM 184 O SER A 15 6.807 3.033 1.859 1.00 0.00 O ATOM 185 CB SER A 15 8.318 5.842 2.175 1.00 0.00 C ATOM 186 OG SER A 15 9.011 4.750 2.767 1.00 0.00 O ATOM 0 H SER A 15 6.624 7.306 1.121 1.00 0.00 H new ATOM 0 HA SER A 15 7.756 4.881 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.018 6.489 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.843 6.448 2.947 1.00 0.00 H new ATOM 0 HG SER A 15 9.688 5.090 3.388 1.00 0.00 H new ATOM 192 N GLU A 16 5.374 4.621 2.559 1.00 0.00 N ATOM 193 CA GLU A 16 4.519 3.674 3.269 1.00 0.00 C ATOM 194 C GLU A 16 3.777 2.774 2.284 1.00 0.00 C ATOM 195 O GLU A 16 3.961 1.557 2.272 1.00 0.00 O ATOM 196 CB GLU A 16 3.498 4.416 4.133 1.00 0.00 C ATOM 197 CG GLU A 16 4.111 4.721 5.501 1.00 0.00 C ATOM 198 CD GLU A 16 3.881 3.540 6.438 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.298 2.447 6.095 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.290 3.748 7.485 1.00 0.00 O ATOM 0 H GLU A 16 5.068 5.593 2.612 1.00 0.00 H new ATOM 0 HA GLU A 16 5.158 3.062 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.196 5.342 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.599 3.811 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.179 4.914 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.663 5.623 5.919 1.00 0.00 H new ATOM 207 N GLU A 17 2.929 3.388 1.462 1.00 0.00 N ATOM 208 CA GLU A 17 2.155 2.632 0.480 1.00 0.00 C ATOM 209 C GLU A 17 3.078 1.903 -0.494 1.00 0.00 C ATOM 210 O GLU A 17 2.743 0.832 -0.999 1.00 0.00 O ATOM 211 CB GLU A 17 1.223 3.560 -0.307 1.00 0.00 C ATOM 212 CG GLU A 17 2.039 4.658 -0.993 1.00 0.00 C ATOM 213 CD GLU A 17 2.491 4.173 -2.367 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.642 3.747 -3.131 1.00 0.00 O ATOM 215 OE2 GLU A 17 3.680 4.237 -2.634 1.00 0.00 O ATOM 0 H GLU A 17 2.761 4.394 1.455 1.00 0.00 H new ATOM 0 HA GLU A 17 1.558 1.900 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.669 2.988 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.488 4.006 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.439 5.562 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.905 4.917 -0.384 1.00 0.00 H new ATOM 222 N ASP A 18 4.241 2.496 -0.755 1.00 0.00 N ATOM 223 CA ASP A 18 5.206 1.893 -1.676 1.00 0.00 C ATOM 224 C ASP A 18 5.636 0.516 -1.176 1.00 0.00 C ATOM 225 O ASP A 18 5.831 -0.412 -1.962 1.00 0.00 O ATOM 226 CB ASP A 18 6.443 2.783 -1.822 1.00 0.00 C ATOM 227 CG ASP A 18 7.343 2.234 -2.925 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.919 2.246 -4.069 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.442 1.809 -2.610 1.00 0.00 O ATOM 0 H ASP A 18 4.537 3.383 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 18 4.721 1.790 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.143 3.804 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.989 2.822 -0.879 1.00 0.00 H new ATOM 234 N LEU A 19 5.778 0.392 0.140 1.00 0.00 N ATOM 235 CA LEU A 19 6.179 -0.881 0.730 1.00 0.00 C ATOM 236 C LEU A 19 5.038 -1.888 0.637 1.00 0.00 C ATOM 237 O LEU A 19 5.257 -3.087 0.454 1.00 0.00 O ATOM 238 CB LEU A 19 6.564 -0.694 2.199 1.00 0.00 C ATOM 239 CG LEU A 19 8.059 -0.387 2.301 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.326 0.443 3.558 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.843 -1.699 2.382 1.00 0.00 C ATOM 0 H LEU A 19 5.624 1.145 0.810 1.00 0.00 H new ATOM 0 HA LEU A 19 7.041 -1.254 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.985 0.119 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.328 -1.595 2.765 1.00 0.00 H new ATOM 0 HG LEU A 19 8.375 0.174 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.391 0.661 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.767 1.377 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.010 -0.117 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.909 -1.482 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.526 -2.259 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.654 -2.292 1.487 1.00 0.00 H new ATOM 253 N LEU A 20 3.814 -1.383 0.764 1.00 0.00 N ATOM 254 CA LEU A 20 2.635 -2.242 0.694 1.00 0.00 C ATOM 255 C LEU A 20 2.424 -2.747 -0.731 1.00 0.00 C ATOM 256 O LEU A 20 2.217 -3.939 -0.955 1.00 0.00 O ATOM 257 CB LEU A 20 1.386 -1.477 1.144 1.00 0.00 C ATOM 258 CG LEU A 20 1.167 -1.694 2.642 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.412 -0.498 3.225 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.348 -2.967 2.856 1.00 0.00 C ATOM 0 H LEU A 20 3.613 -0.394 0.914 1.00 0.00 H new ATOM 0 HA LEU A 20 2.799 -3.091 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.502 -0.414 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.515 -1.820 0.585 1.00 0.00 H new ATOM 0 HG LEU A 20 2.131 -1.793 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.255 -0.652 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.995 0.410 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.553 -0.399 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.191 -3.123 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.616 -2.867 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.885 -3.819 2.440 1.00 0.00 H new ATOM 272 N ARG A 21 2.476 -1.827 -1.693 1.00 0.00 N ATOM 273 CA ARG A 21 2.288 -2.196 -3.096 1.00 0.00 C ATOM 274 C ARG A 21 3.355 -3.198 -3.530 1.00 0.00 C ATOM 275 O ARG A 21 3.108 -4.067 -4.367 1.00 0.00 O ATOM 276 CB ARG A 21 2.355 -0.958 -3.998 1.00 0.00 C ATOM 277 CG ARG A 21 3.700 -0.256 -3.826 1.00 0.00 C ATOM 278 CD ARG A 21 3.760 0.956 -4.756 1.00 0.00 C ATOM 279 NE ARG A 21 3.634 0.542 -6.156 1.00 0.00 N ATOM 280 CZ ARG A 21 3.641 1.425 -7.165 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.768 2.712 -6.941 1.00 0.00 N ATOM 282 NH2 ARG A 21 3.523 0.998 -8.392 1.00 0.00 N ATOM 0 H ARG A 21 2.644 -0.834 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 21 1.303 -2.652 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.219 -1.249 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.544 -0.273 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.829 0.059 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.514 -0.944 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.961 1.653 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.702 1.485 -4.612 1.00 0.00 H new ATOM 0 HE ARG A 21 3.538 -0.451 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.864 3.056 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.771 3.368 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.426 -0.000 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.527 1.662 -9.166 1.00 0.00 H new ATOM 296 N LYS A 22 4.541 -3.073 -2.942 1.00 0.00 N ATOM 297 CA LYS A 22 5.638 -3.980 -3.265 1.00 0.00 C ATOM 298 C LYS A 22 5.275 -5.401 -2.851 1.00 0.00 C ATOM 299 O LYS A 22 5.602 -6.368 -3.538 1.00 0.00 O ATOM 300 CB LYS A 22 6.916 -3.558 -2.538 1.00 0.00 C ATOM 301 CG LYS A 22 8.123 -4.223 -3.203 1.00 0.00 C ATOM 302 CD LYS A 22 8.681 -3.300 -4.289 1.00 0.00 C ATOM 303 CE LYS A 22 9.924 -3.936 -4.912 1.00 0.00 C ATOM 304 NZ LYS A 22 10.166 -3.343 -6.257 1.00 0.00 N ATOM 0 H LYS A 22 4.766 -2.361 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 22 5.809 -3.941 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.023 -2.474 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.862 -3.845 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.892 -4.433 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.831 -5.179 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.926 -3.126 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.932 -2.329 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.790 -3.772 -4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.790 -5.014 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.012 -3.776 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.343 -3.521 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.312 -2.318 -6.163 1.00 0.00 H new ATOM 318 N ARG A 23 4.583 -5.511 -1.719 1.00 0.00 N ATOM 319 CA ARG A 23 4.165 -6.817 -1.216 1.00 0.00 C ATOM 320 C ARG A 23 3.106 -7.422 -2.135 1.00 0.00 C ATOM 321 O ARG A 23 3.025 -8.641 -2.292 1.00 0.00 O ATOM 322 CB ARG A 23 3.589 -6.690 0.195 1.00 0.00 C ATOM 323 CG ARG A 23 3.526 -8.071 0.849 1.00 0.00 C ATOM 324 CD ARG A 23 3.176 -7.921 2.329 1.00 0.00 C ATOM 325 NE ARG A 23 3.211 -9.222 3.004 1.00 0.00 N ATOM 326 CZ ARG A 23 2.972 -9.350 4.316 1.00 0.00 C ATOM 327 NH1 ARG A 23 2.692 -8.308 5.062 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.017 -10.533 4.862 1.00 0.00 N ATOM 0 H ARG A 23 4.302 -4.721 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 23 5.040 -7.466 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.208 -6.021 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.593 -6.250 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.779 -8.688 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.484 -8.580 0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.879 -7.239 2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.185 -7.480 2.430 1.00 0.00 H new ATOM 0 HE ARG A 23 3.424 -10.056 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.653 -7.378 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.513 -8.428 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.233 -11.350 4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.837 -10.641 5.860 1.00 0.00 H new ATOM 342 N ARG A 24 2.297 -6.555 -2.741 1.00 0.00 N ATOM 343 CA ARG A 24 1.245 -7.012 -3.647 1.00 0.00 C ATOM 344 C ARG A 24 1.853 -7.767 -4.827 1.00 0.00 C ATOM 345 O ARG A 24 1.380 -8.838 -5.208 1.00 0.00 O ATOM 346 CB ARG A 24 0.439 -5.821 -4.176 1.00 0.00 C ATOM 347 CG ARG A 24 -0.806 -5.616 -3.309 1.00 0.00 C ATOM 348 CD ARG A 24 -1.874 -4.877 -4.117 1.00 0.00 C ATOM 349 NE ARG A 24 -1.328 -3.648 -4.696 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.031 -2.886 -5.546 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.252 -3.210 -5.900 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.491 -1.801 -6.031 1.00 0.00 N ATOM 0 H ARG A 24 2.348 -5.543 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 24 0.584 -7.677 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.053 -4.921 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.148 -5.997 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.191 -6.579 -2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.551 -5.045 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.249 -5.523 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.721 -4.637 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.382 -3.362 -4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.684 -4.056 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.770 -2.616 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.542 -1.540 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.018 -1.215 -6.678 1.00 0.00 H new ATOM 366 N GLU A 25 2.907 -7.194 -5.400 1.00 0.00 N ATOM 367 CA GLU A 25 3.577 -7.816 -6.538 1.00 0.00 C ATOM 368 C GLU A 25 4.152 -9.171 -6.140 1.00 0.00 C ATOM 369 O GLU A 25 4.083 -10.138 -6.899 1.00 0.00 O ATOM 370 CB GLU A 25 4.710 -6.922 -7.047 1.00 0.00 C ATOM 371 CG GLU A 25 4.150 -5.893 -8.028 1.00 0.00 C ATOM 372 CD GLU A 25 5.190 -4.806 -8.277 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.319 -3.933 -7.435 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.842 -4.863 -9.307 1.00 0.00 O ATOM 0 H GLU A 25 3.313 -6.308 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 25 2.840 -7.952 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.192 -6.417 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.473 -7.528 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.884 -6.378 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.237 -5.452 -7.627 1.00 0.00 H new ATOM 381 N GLN A 26 4.720 -9.230 -4.939 1.00 0.00 N ATOM 382 CA GLN A 26 5.305 -10.473 -4.443 1.00 0.00 C ATOM 383 C GLN A 26 4.220 -11.528 -4.247 1.00 0.00 C ATOM 384 O GLN A 26 4.435 -12.715 -4.494 1.00 0.00 O ATOM 385 CB GLN A 26 6.019 -10.238 -3.111 1.00 0.00 C ATOM 386 CG GLN A 26 6.849 -11.470 -2.751 1.00 0.00 C ATOM 387 CD GLN A 26 8.263 -11.309 -3.300 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.475 -10.612 -4.293 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.254 -11.918 -2.706 1.00 0.00 N ATOM 0 H GLN A 26 4.788 -8.441 -4.296 1.00 0.00 H new ATOM 0 HA GLN A 26 6.026 -10.824 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.663 -9.361 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.290 -10.036 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.880 -11.597 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.387 -12.366 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.078 -12.495 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.203 -11.816 -3.064 1.00 0.00 H new ATOM 398 N LEU A 27 3.051 -11.078 -3.799 1.00 0.00 N ATOM 399 CA LEU A 27 1.932 -11.989 -3.570 1.00 0.00 C ATOM 400 C LEU A 27 1.363 -12.475 -4.901 1.00 0.00 C ATOM 401 O LEU A 27 0.986 -13.639 -5.042 1.00 0.00 O ATOM 402 CB LEU A 27 0.824 -11.288 -2.782 1.00 0.00 C ATOM 403 CG LEU A 27 1.183 -11.278 -1.295 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.439 -10.138 -0.597 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.777 -12.611 -0.663 1.00 0.00 C ATOM 0 H LEU A 27 2.854 -10.099 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 27 2.301 -12.840 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.696 -10.267 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.126 -11.801 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 27 2.258 -11.134 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.695 -10.131 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.727 -9.187 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.636 -10.282 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.033 -12.604 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.298 -12.755 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.306 -13.425 -1.159 1.00 0.00 H new ATOM 417 N LYS A 28 1.309 -11.570 -5.872 1.00 0.00 N ATOM 418 CA LYS A 28 0.784 -11.913 -7.191 1.00 0.00 C ATOM 419 C LYS A 28 1.656 -12.975 -7.851 1.00 0.00 C ATOM 420 O LYS A 28 1.164 -13.840 -8.578 1.00 0.00 O ATOM 421 CB LYS A 28 0.741 -10.675 -8.089 1.00 0.00 C ATOM 422 CG LYS A 28 -0.487 -9.831 -7.740 1.00 0.00 C ATOM 423 CD LYS A 28 -0.673 -8.739 -8.793 1.00 0.00 C ATOM 424 CE LYS A 28 -2.031 -8.062 -8.595 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.365 -7.256 -9.803 1.00 0.00 N ATOM 0 H LYS A 28 1.618 -10.603 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.226 -12.301 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.649 -10.086 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.704 -10.974 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.374 -10.462 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.365 -9.383 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.127 -8.003 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.612 -9.169 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.802 -8.813 -8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.005 -7.422 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.288 -6.796 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.634 -6.531 -9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.406 -7.878 -10.635 1.00 0.00 H new ATOM 439 N HIS A 29 2.958 -12.901 -7.590 1.00 0.00 N ATOM 440 CA HIS A 29 3.896 -13.861 -8.162 1.00 0.00 C ATOM 441 C HIS A 29 3.656 -15.251 -7.581 1.00 0.00 C ATOM 442 O HIS A 29 3.696 -16.254 -8.293 1.00 0.00 O ATOM 443 CB HIS A 29 5.338 -13.442 -7.871 1.00 0.00 C ATOM 444 CG HIS A 29 5.661 -12.191 -8.639 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.314 -12.032 -9.972 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.298 -11.030 -8.277 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.741 -10.815 -10.359 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.347 -10.163 -9.366 1.00 0.00 N ATOM 0 H HIS A 29 3.384 -12.193 -6.992 1.00 0.00 H new ATOM 0 HA HIS A 29 3.736 -13.884 -9.240 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.469 -13.270 -6.803 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.024 -14.241 -8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.700 -10.821 -7.297 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.609 -10.415 -11.354 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.758 -9.230 -9.397 1.00 0.00 H new ATOM 456 N LYS A 30 3.406 -15.298 -6.276 1.00 0.00 N ATOM 457 CA LYS A 30 3.159 -16.570 -5.602 1.00 0.00 C ATOM 458 C LYS A 30 1.891 -17.226 -6.141 1.00 0.00 C ATOM 459 O LYS A 30 1.780 -18.450 -6.193 1.00 0.00 O ATOM 460 CB LYS A 30 3.008 -16.358 -4.095 1.00 0.00 C ATOM 461 CG LYS A 30 2.985 -17.715 -3.388 1.00 0.00 C ATOM 462 CD LYS A 30 3.660 -17.590 -2.020 1.00 0.00 C ATOM 463 CE LYS A 30 5.139 -17.958 -2.145 1.00 0.00 C ATOM 464 NZ LYS A 30 5.940 -16.725 -2.392 1.00 0.00 N ATOM 0 H LYS A 30 3.369 -14.479 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 30 4.012 -17.220 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.833 -15.753 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.089 -15.811 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.957 -18.057 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.501 -18.461 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.558 -16.572 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.171 -18.246 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.480 -18.450 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.281 -18.666 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.940 -16.912 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.847 -16.444 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.592 -15.957 -1.782 1.00 0.00 H new ATOM 478 N LEU A 31 0.932 -16.395 -6.540 1.00 0.00 N ATOM 479 CA LEU A 31 -0.330 -16.903 -7.073 1.00 0.00 C ATOM 480 C LEU A 31 -0.176 -17.291 -8.539 1.00 0.00 C ATOM 481 O LEU A 31 -0.685 -18.322 -8.981 1.00 0.00 O ATOM 482 CB LEU A 31 -1.427 -15.842 -6.950 1.00 0.00 C ATOM 483 CG LEU A 31 -2.774 -16.524 -6.709 1.00 0.00 C ATOM 484 CD1 LEU A 31 -3.038 -16.614 -5.204 1.00 0.00 C ATOM 485 CD2 LEU A 31 -3.885 -15.705 -7.371 1.00 0.00 C ATOM 0 H LEU A 31 1.002 -15.378 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.608 -17.784 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.200 -15.163 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.469 -15.241 -7.858 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.755 -17.527 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.998 -17.100 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.247 -17.195 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.057 -15.611 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.846 -16.190 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.903 -14.703 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.698 -15.638 -8.443 1.00 0.00 H new ATOM 497 N GLU A 32 0.527 -16.450 -9.293 1.00 0.00 N ATOM 498 CA GLU A 32 0.739 -16.710 -10.715 1.00 0.00 C ATOM 499 C GLU A 32 1.841 -17.748 -10.915 1.00 0.00 C ATOM 500 O GLU A 32 1.592 -18.854 -11.394 1.00 0.00 O ATOM 501 CB GLU A 32 1.128 -15.422 -11.443 1.00 0.00 C ATOM 502 CG GLU A 32 0.576 -15.453 -12.869 1.00 0.00 C ATOM 503 CD GLU A 32 1.558 -16.180 -13.781 1.00 0.00 C ATOM 504 OE1 GLU A 32 2.605 -15.619 -14.058 1.00 0.00 O ATOM 505 OE2 GLU A 32 1.247 -17.286 -14.189 1.00 0.00 O ATOM 0 H GLU A 32 0.956 -15.591 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.195 -17.092 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.735 -14.557 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.213 -15.318 -11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.391 -15.956 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.413 -14.437 -13.229 1.00 0.00 H new ATOM 512 N GLN A 33 3.063 -17.374 -10.547 1.00 0.00 N ATOM 513 CA GLN A 33 4.203 -18.279 -10.692 1.00 0.00 C ATOM 514 C GLN A 33 3.994 -19.543 -9.865 1.00 0.00 C ATOM 515 O GLN A 33 4.127 -20.660 -10.366 1.00 0.00 O ATOM 516 CB GLN A 33 5.492 -17.593 -10.238 1.00 0.00 C ATOM 517 CG GLN A 33 5.688 -16.296 -11.025 1.00 0.00 C ATOM 518 CD GLN A 33 6.546 -16.571 -12.255 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.434 -17.423 -12.225 1.00 0.00 O ATOM 520 NE2 GLN A 33 6.329 -15.895 -13.351 1.00 0.00 N ATOM 0 H GLN A 33 3.290 -16.462 -10.151 1.00 0.00 H new ATOM 0 HA GLN A 33 4.285 -18.547 -11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.445 -17.379 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.343 -18.256 -10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.722 -15.891 -11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.166 -15.545 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.594 -15.189 -13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.895 -16.073 -14.181 1.00 0.00 H new ATOM 529 N LEU A 34 3.669 -19.357 -8.588 1.00 0.00 N ATOM 530 CA LEU A 34 3.443 -20.490 -7.691 1.00 0.00 C ATOM 531 C LEU A 34 4.702 -21.347 -7.584 1.00 0.00 C ATOM 532 O LEU A 34 4.625 -22.555 -7.371 1.00 0.00 O ATOM 533 CB LEU A 34 2.290 -21.358 -8.199 1.00 0.00 C ATOM 534 CG LEU A 34 0.962 -20.779 -7.709 1.00 0.00 C ATOM 535 CD1 LEU A 34 -0.189 -21.407 -8.498 1.00 0.00 C ATOM 536 CD2 LEU A 34 0.789 -21.091 -6.221 1.00 0.00 C ATOM 0 H LEU A 34 3.557 -18.441 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 34 3.190 -20.092 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.302 -21.397 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.407 -22.381 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 34 0.959 -19.699 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.136 -20.995 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.066 -21.187 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.186 -22.487 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.157 -20.679 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.791 -22.171 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.609 -20.646 -5.658 1.00 0.00 H new HETATM 548 N NH2 A 35 5.871 -20.783 -7.722 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 2.802 21.178 -7.191 1.00 0.00 C HETATM 553 O ACE B 2 2.337 20.107 -6.802 1.00 0.00 O HETATM 554 CH3 ACE B 2 3.769 21.236 -8.371 1.00 0.00 C HETATM 0 H1 ACE B 2 3.343 21.856 -9.160 1.00 0.00 H new HETATM 0 H2 ACE B 2 4.716 21.665 -8.044 1.00 0.00 H new HETATM 0 H3 ACE B 2 3.939 20.229 -8.752 1.00 0.00 H new ATOM 558 N CYS B 3 2.509 22.344 -6.625 1.00 0.00 N ATOM 559 CA CYS B 3 1.597 22.420 -5.487 1.00 0.00 C ATOM 560 C CYS B 3 0.201 22.823 -5.950 1.00 0.00 C ATOM 561 O CYS B 3 -0.052 23.984 -6.272 1.00 0.00 O ATOM 562 CB CYS B 3 2.097 23.442 -4.465 1.00 0.00 C ATOM 563 SG CYS B 3 1.512 22.982 -2.815 1.00 0.00 S ATOM 0 H CYS B 3 2.885 23.242 -6.931 1.00 0.00 H new ATOM 0 HA CYS B 3 1.557 21.435 -5.023 1.00 0.00 H new ATOM 0 HB2 CYS B 3 3.186 23.482 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS B 3 1.738 24.438 -4.725 1.00 0.00 H new ATOM 568 N GLY B 4 -0.703 21.848 -5.980 1.00 0.00 N ATOM 569 CA GLY B 4 -2.077 22.108 -6.404 1.00 0.00 C ATOM 570 C GLY B 4 -3.068 21.354 -5.525 1.00 0.00 C ATOM 571 O GLY B 4 -3.342 21.751 -4.392 1.00 0.00 O ATOM 0 H GLY B 4 -0.513 20.880 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -2.281 23.178 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -2.204 21.807 -7.444 1.00 0.00 H new ATOM 575 N GLY B 5 -3.602 20.261 -6.060 1.00 0.00 N ATOM 576 CA GLY B 5 -4.565 19.453 -5.317 1.00 0.00 C ATOM 577 C GLY B 5 -3.852 18.515 -4.349 1.00 0.00 C ATOM 578 O GLY B 5 -3.959 17.292 -4.453 1.00 0.00 O ATOM 0 H GLY B 5 -3.388 19.916 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -5.244 20.104 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -5.173 18.873 -6.012 1.00 0.00 H new ATOM 582 N MET B 6 -3.121 19.102 -3.406 1.00 0.00 N ATOM 583 CA MET B 6 -2.388 18.312 -2.420 1.00 0.00 C ATOM 584 C MET B 6 -3.349 17.460 -1.593 1.00 0.00 C ATOM 585 O MET B 6 -3.042 16.323 -1.233 1.00 0.00 O ATOM 586 CB MET B 6 -1.591 19.226 -1.481 1.00 0.00 C ATOM 587 CG MET B 6 -2.536 20.219 -0.796 1.00 0.00 C ATOM 588 SD MET B 6 -1.654 21.763 -0.461 1.00 0.00 S ATOM 589 CE MET B 6 -3.103 22.842 -0.389 1.00 0.00 C ATOM 0 H MET B 6 -3.020 20.112 -3.303 1.00 0.00 H new ATOM 0 HA MET B 6 -1.700 17.660 -2.959 1.00 0.00 H new ATOM 0 HB2 MET B 6 -1.072 18.629 -0.732 1.00 0.00 H new ATOM 0 HB3 MET B 6 -0.829 19.765 -2.044 1.00 0.00 H new ATOM 0 HG2 MET B 6 -3.400 20.412 -1.432 1.00 0.00 H new ATOM 0 HG3 MET B 6 -2.914 19.795 0.134 1.00 0.00 H new ATOM 0 HE1 MET B 6 -2.785 23.865 -0.188 1.00 0.00 H new ATOM 0 HE2 MET B 6 -3.631 22.807 -1.342 1.00 0.00 H new ATOM 0 HE3 MET B 6 -3.768 22.506 0.407 1.00 0.00 H new ATOM 599 N ARG B 7 -4.516 18.025 -1.297 1.00 0.00 N ATOM 600 CA ARG B 7 -5.519 17.311 -0.511 1.00 0.00 C ATOM 601 C ARG B 7 -5.980 16.058 -1.248 1.00 0.00 C ATOM 602 O ARG B 7 -6.262 15.028 -0.634 1.00 0.00 O ATOM 603 CB ARG B 7 -6.730 18.208 -0.247 1.00 0.00 C ATOM 604 CG ARG B 7 -7.346 17.850 1.106 1.00 0.00 C ATOM 605 CD ARG B 7 -6.770 18.766 2.188 1.00 0.00 C ATOM 606 NE ARG B 7 -5.408 18.354 2.541 1.00 0.00 N ATOM 607 CZ ARG B 7 -5.165 17.306 3.341 1.00 0.00 C ATOM 608 NH1 ARG B 7 -6.145 16.595 3.848 1.00 0.00 N ATOM 609 NH2 ARG B 7 -3.932 16.986 3.620 1.00 0.00 N ATOM 0 H ARG B 7 -4.789 18.964 -1.585 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.064 17.028 0.438 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.429 19.255 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.468 18.082 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -8.430 17.957 1.064 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.137 16.808 1.348 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -6.764 19.797 1.834 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -7.406 18.737 3.073 1.00 0.00 H new ATOM 0 HE ARG B 7 -4.620 18.882 2.166 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -7.113 16.836 3.635 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -5.939 15.801 4.455 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -3.163 17.531 3.231 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -3.737 16.190 4.228 1.00 0.00 H new ATOM 623 N ARG B 8 -6.054 16.158 -2.571 1.00 0.00 N ATOM 624 CA ARG B 8 -6.483 15.027 -3.389 1.00 0.00 C ATOM 625 C ARG B 8 -5.434 13.919 -3.360 1.00 0.00 C ATOM 626 O ARG B 8 -5.759 12.734 -3.419 1.00 0.00 O ATOM 627 CB ARG B 8 -6.703 15.464 -4.838 1.00 0.00 C ATOM 628 CG ARG B 8 -8.082 16.116 -4.970 1.00 0.00 C ATOM 629 CD ARG B 8 -8.022 17.235 -6.011 1.00 0.00 C ATOM 630 NE ARG B 8 -8.400 16.731 -7.334 1.00 0.00 N ATOM 631 CZ ARG B 8 -8.712 17.553 -8.347 1.00 0.00 C ATOM 632 NH1 ARG B 8 -8.689 18.856 -8.198 1.00 0.00 N ATOM 633 NH2 ARG B 8 -9.042 17.046 -9.503 1.00 0.00 N ATOM 0 H ARG B 8 -5.825 17.002 -3.097 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.420 14.653 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.926 16.167 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.630 14.604 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.821 15.371 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.399 16.517 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.690 18.045 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.015 17.650 -6.048 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.427 15.723 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.430 19.262 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.930 19.463 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -9.061 16.034 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -9.281 17.662 -10.280 1.00 0.00 H new ATOM 647 N LYS B 9 -4.168 14.322 -3.268 1.00 0.00 N ATOM 648 CA LYS B 9 -3.074 13.356 -3.232 1.00 0.00 C ATOM 649 C LYS B 9 -2.972 12.718 -1.850 1.00 0.00 C ATOM 650 O LYS B 9 -2.754 11.514 -1.720 1.00 0.00 O ATOM 651 CB LYS B 9 -1.745 14.041 -3.566 1.00 0.00 C ATOM 652 CG LYS B 9 -1.482 13.936 -5.071 1.00 0.00 C ATOM 653 CD LYS B 9 -0.034 14.333 -5.364 1.00 0.00 C ATOM 654 CE LYS B 9 0.414 13.695 -6.680 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.386 14.259 -7.803 1.00 0.00 N ATOM 0 H LYS B 9 -3.877 15.298 -3.218 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.281 12.584 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.777 15.088 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.932 13.573 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.668 12.918 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.166 14.586 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.051 15.418 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.615 14.008 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.475 13.883 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.285 12.614 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.026 13.957 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -1.366 13.917 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.378 15.297 -7.748 1.00 0.00 H new ATOM 669 N ASN B 10 -3.131 13.543 -0.818 1.00 0.00 N ATOM 670 CA ASN B 10 -3.055 13.051 0.556 1.00 0.00 C ATOM 671 C ASN B 10 -4.181 12.058 0.828 1.00 0.00 C ATOM 672 O ASN B 10 -3.981 11.032 1.477 1.00 0.00 O ATOM 673 CB ASN B 10 -3.162 14.210 1.551 1.00 0.00 C ATOM 674 CG ASN B 10 -2.143 15.287 1.196 1.00 0.00 C ATOM 675 OD1 ASN B 10 -2.463 16.476 1.185 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.919 14.941 0.903 1.00 0.00 N ATOM 0 H ASN B 10 -3.311 14.543 -0.904 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.092 12.555 0.682 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.169 14.627 1.531 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.986 13.849 2.565 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.230 15.655 0.666 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -0.651 13.957 0.911 1.00 0.00 H new ATOM 683 N ASP B 11 -5.369 12.377 0.322 1.00 0.00 N ATOM 684 CA ASP B 11 -6.526 11.508 0.513 1.00 0.00 C ATOM 685 C ASP B 11 -6.308 10.171 -0.188 1.00 0.00 C ATOM 686 O ASP B 11 -6.583 9.107 0.369 1.00 0.00 O ATOM 687 CB ASP B 11 -7.790 12.165 -0.047 1.00 0.00 C ATOM 688 CG ASP B 11 -9.015 11.604 0.667 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.417 10.501 0.335 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.532 12.286 1.538 1.00 0.00 O ATOM 0 H ASP B 11 -5.555 13.222 -0.218 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.649 11.342 1.583 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.741 13.246 0.087 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.864 11.980 -1.119 1.00 0.00 H new ATOM 695 N THR B 12 -5.810 10.238 -1.420 1.00 0.00 N ATOM 696 CA THR B 12 -5.556 9.027 -2.196 1.00 0.00 C ATOM 697 C THR B 12 -4.481 8.180 -1.522 1.00 0.00 C ATOM 698 O THR B 12 -4.503 6.952 -1.593 1.00 0.00 O ATOM 699 CB THR B 12 -5.097 9.384 -3.611 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.979 10.352 -4.163 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.102 8.128 -4.484 1.00 0.00 C ATOM 0 H THR B 12 -5.576 11.108 -1.899 1.00 0.00 H new ATOM 0 HA THR B 12 -6.485 8.460 -2.250 1.00 0.00 H new ATOM 0 HB THR B 12 -4.087 9.792 -3.574 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.576 11.242 -4.088 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.775 8.384 -5.492 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.424 7.387 -4.060 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.111 7.716 -4.524 1.00 0.00 H new ATOM 709 N HIS B 13 -3.539 8.852 -0.866 1.00 0.00 N ATOM 710 CA HIS B 13 -2.456 8.154 -0.179 1.00 0.00 C ATOM 711 C HIS B 13 -3.013 7.267 0.929 1.00 0.00 C ATOM 712 O HIS B 13 -2.562 6.139 1.129 1.00 0.00 O ATOM 713 CB HIS B 13 -1.474 9.156 0.433 1.00 0.00 C ATOM 714 CG HIS B 13 -0.405 9.492 -0.569 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.421 8.525 -1.120 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.013 10.682 -1.127 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.263 9.144 -1.969 1.00 0.00 C ATOM 718 NE2 HIS B 13 1.040 10.462 -2.011 1.00 0.00 N ATOM 0 H HIS B 13 -3.503 9.869 -0.796 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.936 7.538 -0.912 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.002 10.061 0.733 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.024 8.736 1.333 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.454 11.644 -0.913 1.00 0.00 H new ATOM 0 HE1 HIS B 13 2.024 8.639 -2.545 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.535 11.157 -2.570 1.00 0.00 H new ATOM 726 N GLN B 14 -3.999 7.794 1.648 1.00 0.00 N ATOM 727 CA GLN B 14 -4.617 7.046 2.740 1.00 0.00 C ATOM 728 C GLN B 14 -5.514 5.940 2.190 1.00 0.00 C ATOM 729 O GLN B 14 -5.480 4.803 2.662 1.00 0.00 O ATOM 730 CB GLN B 14 -5.455 7.977 3.618 1.00 0.00 C ATOM 731 CG GLN B 14 -4.585 8.538 4.743 1.00 0.00 C ATOM 732 CD GLN B 14 -5.435 8.742 5.992 1.00 0.00 C ATOM 733 OE1 GLN B 14 -5.712 9.877 6.385 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.870 7.702 6.649 1.00 0.00 N ATOM 0 H GLN B 14 -4.385 8.726 1.498 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.820 6.603 3.337 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.862 8.791 3.018 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.303 7.434 4.036 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.764 7.854 4.957 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.140 9.484 4.435 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.642 6.762 6.325 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.438 7.829 7.486 1.00 0.00 H new ATOM 743 N GLN B 15 -6.318 6.286 1.188 1.00 0.00 N ATOM 744 CA GLN B 15 -7.222 5.314 0.579 1.00 0.00 C ATOM 745 C GLN B 15 -6.432 4.166 -0.042 1.00 0.00 C ATOM 746 O GLN B 15 -6.746 2.995 0.167 1.00 0.00 O ATOM 747 CB GLN B 15 -8.071 5.980 -0.505 1.00 0.00 C ATOM 748 CG GLN B 15 -9.438 5.295 -0.575 1.00 0.00 C ATOM 749 CD GLN B 15 -10.497 6.314 -0.980 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.187 6.876 -0.126 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.671 6.591 -2.243 1.00 0.00 N ATOM 0 H GLN B 15 -6.363 7.221 0.784 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.873 4.924 1.361 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.195 7.040 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.568 5.911 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.410 4.477 -1.295 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.688 4.859 0.392 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.101 6.127 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.377 7.272 -2.523 1.00 0.00 H new ATOM 760 N ASP B 16 -5.400 4.516 -0.807 1.00 0.00 N ATOM 761 CA ASP B 16 -4.566 3.506 -1.453 1.00 0.00 C ATOM 762 C ASP B 16 -3.902 2.620 -0.404 1.00 0.00 C ATOM 763 O ASP B 16 -3.780 1.407 -0.577 1.00 0.00 O ATOM 764 CB ASP B 16 -3.482 4.169 -2.305 1.00 0.00 C ATOM 765 CG ASP B 16 -3.106 3.247 -3.459 1.00 0.00 C ATOM 766 OD1 ASP B 16 -4.004 2.654 -4.035 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.926 3.145 -3.750 1.00 0.00 O ATOM 0 H ASP B 16 -5.124 5.480 -0.993 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.206 2.898 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.841 5.123 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.604 4.381 -1.695 1.00 0.00 H new ATOM 772 N ILE B 17 -3.480 3.244 0.692 1.00 0.00 N ATOM 773 CA ILE B 17 -2.833 2.512 1.779 1.00 0.00 C ATOM 774 C ILE B 17 -3.795 1.480 2.362 1.00 0.00 C ATOM 775 O ILE B 17 -3.635 0.274 2.173 1.00 0.00 O ATOM 776 CB ILE B 17 -2.382 3.501 2.883 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.050 4.134 2.471 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.202 2.791 4.242 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.761 5.341 3.368 1.00 0.00 C ATOM 0 H ILE B 17 -3.573 4.247 0.852 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.958 1.994 1.387 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.154 4.262 2.996 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.246 3.403 2.556 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.090 4.444 1.427 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.885 3.516 4.992 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.148 2.343 4.547 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.445 2.012 4.148 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.187 5.793 3.076 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.561 6.074 3.260 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.703 5.017 4.407 1.00 0.00 H new ATOM 791 N ASP B 18 -4.779 1.981 3.108 1.00 0.00 N ATOM 792 CA ASP B 18 -5.758 1.120 3.766 1.00 0.00 C ATOM 793 C ASP B 18 -6.319 0.061 2.810 1.00 0.00 C ATOM 794 O ASP B 18 -6.659 -1.049 3.223 1.00 0.00 O ATOM 795 CB ASP B 18 -6.916 1.964 4.316 1.00 0.00 C ATOM 796 CG ASP B 18 -6.679 2.264 5.794 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.216 1.378 6.491 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.965 3.377 6.204 1.00 0.00 O ATOM 0 H ASP B 18 -4.918 2.978 3.271 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.246 0.609 4.581 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.998 2.895 3.755 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.859 1.431 4.190 1.00 0.00 H new ATOM 803 N ASP B 19 -6.409 0.417 1.532 1.00 0.00 N ATOM 804 CA ASP B 19 -6.926 -0.511 0.529 1.00 0.00 C ATOM 805 C ASP B 19 -5.881 -1.571 0.192 1.00 0.00 C ATOM 806 O ASP B 19 -6.215 -2.709 -0.135 1.00 0.00 O ATOM 807 CB ASP B 19 -7.309 0.237 -0.749 1.00 0.00 C ATOM 808 CG ASP B 19 -8.212 -0.644 -1.605 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.736 -1.664 -2.077 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.367 -0.288 -1.773 1.00 0.00 O ATOM 0 H ASP B 19 -6.135 1.330 1.168 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.811 -0.993 0.944 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.821 1.166 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.412 0.507 -1.307 1.00 0.00 H new ATOM 815 N LEU B 20 -4.612 -1.185 0.279 1.00 0.00 N ATOM 816 CA LEU B 20 -3.524 -2.114 -0.014 1.00 0.00 C ATOM 817 C LEU B 20 -3.438 -3.185 1.069 1.00 0.00 C ATOM 818 O LEU B 20 -3.178 -4.355 0.789 1.00 0.00 O ATOM 819 CB LEU B 20 -2.189 -1.372 -0.087 1.00 0.00 C ATOM 820 CG LEU B 20 -2.011 -0.770 -1.482 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.863 0.240 -1.462 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.692 -1.885 -2.481 1.00 0.00 C ATOM 0 H LEU B 20 -4.313 -0.247 0.547 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.730 -2.582 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.157 -0.585 0.666 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.369 -2.056 0.132 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.931 -0.266 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.738 0.668 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.090 1.035 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.058 -0.262 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.565 -1.457 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.773 -2.389 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.511 -2.604 -2.497 1.00 0.00 H new ATOM 834 N LYS B 21 -3.660 -2.767 2.313 1.00 0.00 N ATOM 835 CA LYS B 21 -3.607 -3.696 3.439 1.00 0.00 C ATOM 836 C LYS B 21 -4.711 -4.741 3.318 1.00 0.00 C ATOM 837 O LYS B 21 -4.461 -5.943 3.404 1.00 0.00 O ATOM 838 CB LYS B 21 -3.775 -2.946 4.763 1.00 0.00 C ATOM 839 CG LYS B 21 -2.430 -2.360 5.194 1.00 0.00 C ATOM 840 CD LYS B 21 -2.599 -1.602 6.512 1.00 0.00 C ATOM 841 CE LYS B 21 -1.222 -1.271 7.092 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.803 0.083 6.631 1.00 0.00 N ATOM 0 H LYS B 21 -3.876 -1.803 2.565 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.635 -4.188 3.423 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.511 -2.150 4.651 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.151 -3.622 5.531 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.696 -3.157 5.313 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.050 -1.689 4.423 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.165 -0.685 6.346 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.168 -2.205 7.220 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.257 -1.302 8.181 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.493 -2.017 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.235 0.149 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.147 0.242 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.204 0.805 7.263 1.00 0.00 H new ATOM 856 N ARG B 22 -5.939 -4.267 3.115 1.00 0.00 N ATOM 857 CA ARG B 22 -7.084 -5.168 2.980 1.00 0.00 C ATOM 858 C ARG B 22 -6.883 -6.113 1.796 1.00 0.00 C ATOM 859 O ARG B 22 -7.335 -7.259 1.814 1.00 0.00 O ATOM 860 CB ARG B 22 -8.375 -4.369 2.773 1.00 0.00 C ATOM 861 CG ARG B 22 -8.235 -3.460 1.555 1.00 0.00 C ATOM 862 CD ARG B 22 -9.556 -2.727 1.297 1.00 0.00 C ATOM 863 NE ARG B 22 -10.631 -3.676 0.985 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.424 -4.208 1.930 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.251 -3.938 3.202 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.380 -5.020 1.576 1.00 0.00 N ATOM 0 H ARG B 22 -6.166 -3.275 3.041 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.164 -5.750 3.898 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.216 -5.049 2.635 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.590 -3.773 3.660 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.435 -2.738 1.719 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.959 -4.049 0.680 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.828 -2.140 2.174 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.432 -2.027 0.471 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.782 -3.942 0.012 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.501 -3.311 3.493 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.867 -4.355 3.900 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.519 -5.245 0.591 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.989 -5.430 2.284 1.00 0.00 H new ATOM 880 N GLN B 23 -6.195 -5.618 0.771 1.00 0.00 N ATOM 881 CA GLN B 23 -5.934 -6.423 -0.419 1.00 0.00 C ATOM 882 C GLN B 23 -4.893 -7.498 -0.112 1.00 0.00 C ATOM 883 O GLN B 23 -5.152 -8.693 -0.261 1.00 0.00 O ATOM 884 CB GLN B 23 -5.420 -5.538 -1.559 1.00 0.00 C ATOM 885 CG GLN B 23 -5.310 -6.361 -2.846 1.00 0.00 C ATOM 886 CD GLN B 23 -6.699 -6.815 -3.289 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.709 -6.239 -2.884 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.810 -7.824 -4.110 1.00 0.00 N ATOM 0 H GLN B 23 -5.811 -4.673 0.739 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.868 -6.897 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.096 -4.697 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.447 -5.122 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -4.844 -5.765 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.669 -7.227 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.974 -8.302 -4.446 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.733 -8.134 -4.415 1.00 0.00 H new ATOM 897 N ASN B 24 -3.714 -7.059 0.318 1.00 0.00 N ATOM 898 CA ASN B 24 -2.637 -7.991 0.645 1.00 0.00 C ATOM 899 C ASN B 24 -3.058 -8.927 1.775 1.00 0.00 C ATOM 900 O ASN B 24 -2.609 -10.070 1.851 1.00 0.00 O ATOM 901 CB ASN B 24 -1.382 -7.230 1.075 1.00 0.00 C ATOM 902 CG ASN B 24 -0.550 -6.878 -0.155 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.527 -7.626 -1.132 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.141 -5.770 -0.164 1.00 0.00 N ATOM 0 H ASN B 24 -3.480 -6.075 0.448 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.422 -8.576 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.660 -6.322 1.610 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.794 -7.838 1.763 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.700 -5.524 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.122 -5.150 0.646 1.00 0.00 H new ATOM 911 N ALA B 25 -3.922 -8.428 2.656 1.00 0.00 N ATOM 912 CA ALA B 25 -4.394 -9.229 3.783 1.00 0.00 C ATOM 913 C ALA B 25 -5.121 -10.478 3.294 1.00 0.00 C ATOM 914 O ALA B 25 -4.756 -11.602 3.638 1.00 0.00 O ATOM 915 CB ALA B 25 -5.347 -8.411 4.657 1.00 0.00 C ATOM 0 H ALA B 25 -4.306 -7.484 2.613 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.523 -9.525 4.367 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.690 -9.022 5.492 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.827 -7.533 5.039 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.204 -8.095 4.063 1.00 0.00 H new ATOM 921 N LEU B 26 -6.158 -10.269 2.487 1.00 0.00 N ATOM 922 CA LEU B 26 -6.937 -11.386 1.957 1.00 0.00 C ATOM 923 C LEU B 26 -6.060 -12.299 1.104 1.00 0.00 C ATOM 924 O LEU B 26 -6.079 -13.520 1.257 1.00 0.00 O ATOM 925 CB LEU B 26 -8.097 -10.872 1.102 1.00 0.00 C ATOM 926 CG LEU B 26 -9.323 -10.640 1.988 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.246 -9.247 2.611 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.592 -10.750 1.139 1.00 0.00 C ATOM 0 H LEU B 26 -6.476 -9.347 2.188 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.329 -11.949 2.804 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.813 -9.944 0.606 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.332 -11.593 0.319 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.348 -11.390 2.779 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.119 -9.082 3.242 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.342 -9.168 3.215 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.222 -8.496 1.821 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.466 -10.585 1.769 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.567 -10.000 0.349 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.647 -11.744 0.694 1.00 0.00 H new ATOM 940 N LEU B 27 -5.294 -11.693 0.202 1.00 0.00 N ATOM 941 CA LEU B 27 -4.416 -12.461 -0.676 1.00 0.00 C ATOM 942 C LEU B 27 -3.382 -13.233 0.140 1.00 0.00 C ATOM 943 O LEU B 27 -3.246 -14.448 0.005 1.00 0.00 O ATOM 944 CB LEU B 27 -3.693 -11.533 -1.655 1.00 0.00 C ATOM 945 CG LEU B 27 -4.587 -11.281 -2.870 1.00 0.00 C ATOM 946 CD1 LEU B 27 -5.521 -10.105 -2.584 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.715 -10.954 -4.085 1.00 0.00 C ATOM 0 H LEU B 27 -5.262 -10.683 0.060 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.033 -13.166 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.450 -10.589 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.751 -11.981 -1.970 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.179 -12.173 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.157 -9.927 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -6.143 -10.336 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.930 -9.213 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.351 -10.774 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.123 -10.063 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.049 -11.792 -4.291 1.00 0.00 H new ATOM 959 N GLU B 28 -2.653 -12.511 0.990 1.00 0.00 N ATOM 960 CA GLU B 28 -1.629 -13.133 1.830 1.00 0.00 C ATOM 961 C GLU B 28 -2.235 -14.240 2.692 1.00 0.00 C ATOM 962 O GLU B 28 -1.677 -15.328 2.813 1.00 0.00 O ATOM 963 CB GLU B 28 -0.982 -12.087 2.743 1.00 0.00 C ATOM 964 CG GLU B 28 0.199 -12.711 3.491 1.00 0.00 C ATOM 965 CD GLU B 28 1.497 -12.397 2.755 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.608 -11.299 2.231 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.362 -13.256 2.726 1.00 0.00 O ATOM 0 H GLU B 28 -2.750 -11.503 1.115 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.873 -13.563 1.173 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.642 -11.236 2.153 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.716 -11.708 3.454 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.244 -12.323 4.509 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.065 -13.790 3.567 1.00 0.00 H new ATOM 974 N GLN B 29 -3.388 -13.943 3.289 1.00 0.00 N ATOM 975 CA GLN B 29 -4.076 -14.915 4.143 1.00 0.00 C ATOM 976 C GLN B 29 -4.328 -16.221 3.389 1.00 0.00 C ATOM 977 O GLN B 29 -4.370 -17.298 3.983 1.00 0.00 O ATOM 978 CB GLN B 29 -5.415 -14.351 4.622 1.00 0.00 C ATOM 979 CG GLN B 29 -6.004 -15.273 5.691 1.00 0.00 C ATOM 980 CD GLN B 29 -5.411 -14.920 7.050 1.00 0.00 C ATOM 981 OE1 GLN B 29 -4.274 -15.284 7.353 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.119 -14.225 7.897 1.00 0.00 N ATOM 0 H GLN B 29 -3.864 -13.045 3.200 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.434 -15.115 5.001 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.275 -13.349 5.028 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.105 -14.262 3.783 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.089 -15.170 5.718 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.789 -16.313 5.448 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.061 -13.923 7.647 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -5.731 -13.984 8.809 1.00 0.00 H new ATOM 991 N GLN B 30 -4.491 -16.112 2.073 1.00 0.00 N ATOM 992 CA GLN B 30 -4.735 -17.290 1.246 1.00 0.00 C ATOM 993 C GLN B 30 -3.416 -17.851 0.714 1.00 0.00 C ATOM 994 O GLN B 30 -3.279 -19.057 0.502 1.00 0.00 O ATOM 995 CB GLN B 30 -5.638 -16.938 0.063 1.00 0.00 C ATOM 996 CG GLN B 30 -6.429 -18.176 -0.364 1.00 0.00 C ATOM 997 CD GLN B 30 -7.437 -17.790 -1.440 1.00 0.00 C ATOM 998 OE1 GLN B 30 -7.098 -17.098 -2.399 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.672 -18.202 -1.338 1.00 0.00 N ATOM 0 H GLN B 30 -4.459 -15.230 1.561 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.226 -18.039 1.867 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.321 -16.135 0.340 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.037 -16.572 -0.770 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -5.751 -18.941 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.945 -18.605 0.495 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.954 -18.776 -0.543 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.354 -17.950 -2.053 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.450 -16.962 0.499 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.144 -17.375 -0.011 1.00 0.00 C ATOM 1010 C VAL B 31 -0.362 -18.131 1.065 1.00 0.00 C ATOM 1011 O VAL B 31 0.377 -19.070 0.767 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.338 -16.149 -0.461 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.993 -16.595 -1.078 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.143 -15.359 -1.505 1.00 0.00 C ATOM 0 H VAL B 31 -2.544 -15.960 0.668 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.304 -18.035 -0.864 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.139 -15.517 0.405 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.559 -15.719 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.569 -17.151 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.799 -17.233 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.570 -14.489 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.345 -15.996 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.086 -15.032 -1.066 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.530 -17.712 2.316 1.00 0.00 N ATOM 1025 CA ARG B 32 0.173 -18.360 3.424 1.00 0.00 C ATOM 1026 C ARG B 32 -0.227 -19.829 3.527 1.00 0.00 C ATOM 1027 O ARG B 32 0.570 -20.676 3.931 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.142 -17.660 4.749 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.656 -17.639 4.976 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.954 -17.112 6.381 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.233 -17.894 7.388 1.00 0.00 N ATOM 1032 CZ ARG B 32 -1.630 -19.119 7.759 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -2.694 -19.678 7.231 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.946 -19.769 8.661 1.00 0.00 N ATOM 0 H ARG B 32 -1.137 -16.939 2.588 1.00 0.00 H new ATOM 0 HA ARG B 32 1.242 -18.289 3.226 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.351 -18.178 5.571 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.247 -16.642 4.735 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -2.138 -17.007 4.229 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -2.066 -18.642 4.858 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.665 -16.063 6.451 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -3.026 -17.160 6.574 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.401 -17.493 7.821 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -3.235 -19.179 6.525 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -2.980 -20.611 7.527 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.117 -19.344 9.077 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -1.240 -20.702 8.950 1.00 0.00 H new ATOM 1048 N ALA B 33 -1.470 -20.123 3.157 1.00 0.00 N ATOM 1049 CA ALA B 33 -1.966 -21.495 3.208 1.00 0.00 C ATOM 1050 C ALA B 33 -1.227 -22.366 2.199 1.00 0.00 C ATOM 1051 O ALA B 33 -0.998 -23.552 2.429 1.00 0.00 O ATOM 1052 CB ALA B 33 -3.465 -21.535 2.902 1.00 0.00 C ATOM 0 H ALA B 33 -2.147 -19.437 2.822 1.00 0.00 H new ATOM 0 HA ALA B 33 -1.792 -21.879 4.213 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -3.818 -22.566 2.944 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.003 -20.937 3.638 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -3.644 -21.131 1.906 1.00 0.00 H new ATOM 1058 N LEU B 34 -0.858 -21.760 1.074 1.00 0.00 N ATOM 1059 CA LEU B 34 -0.143 -22.485 0.027 1.00 0.00 C ATOM 1060 C LEU B 34 1.361 -22.275 0.168 1.00 0.00 C ATOM 1061 O LEU B 34 1.917 -21.314 -0.363 1.00 0.00 O ATOM 1062 CB LEU B 34 -0.588 -22.008 -1.356 1.00 0.00 C ATOM 1063 CG LEU B 34 -1.750 -22.873 -1.847 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -2.620 -22.062 -2.810 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -1.199 -24.102 -2.571 1.00 0.00 C ATOM 0 H LEU B 34 -1.040 -20.778 0.864 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.373 -23.545 0.134 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.893 -20.963 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.244 -22.067 -2.057 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.351 -23.191 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.448 -22.679 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.013 -21.185 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.020 -21.743 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -2.026 -24.719 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.598 -23.783 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.579 -24.681 -1.886 1.00 0.00 H new HETATM 1077 N NH2 B 35 2.062 -23.131 0.861 1.00 0.00 N TER 1080 NH2 B 35