USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc=-0.00124 X(o=-0.0012,f=-0.12) USER MOD Single : A 15 MET CE :methyl -125:sc= -1.4 (180deg=-1.77) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0731 X(o=-0.073,f=-0.49) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -39:sc= 0.16 USER MOD Single : A 35 GLN : amide:sc= -0.011 K(o=-0.011,f=-3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0.311 K(o=0.97,f=-7.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.8) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : B 13 GLN : amide:sc= -0.0396 K(o=-0.04,f=-2.3!) USER MOD Single : B 15 MET CE :methyl 175:sc= -0.474 (180deg=-0.526) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot -170:sc= -2.95 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.0738 K(o=-0.074,f=-4.2!) USER MOD Single : B 30 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.03) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 88:sc= 0.743 USER MOD Single : B 35 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 HIS : no HE2:sc= -0.467 K(o=-0.29,f=-2.7) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 5.864 15.592 -0.830 1.00 0.00 N ATOM 54 CA LEU A 4 5.623 14.352 -1.585 1.00 0.00 C ATOM 55 C LEU A 4 6.332 13.109 -1.023 1.00 0.00 C ATOM 56 O LEU A 4 5.745 12.030 -1.018 1.00 0.00 O ATOM 57 CB LEU A 4 5.885 14.590 -3.082 1.00 0.00 C ATOM 58 CG LEU A 4 7.360 14.812 -3.460 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.042 13.522 -3.922 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.486 15.826 -4.598 1.00 0.00 C ATOM 0 HA LEU A 4 4.570 14.102 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.508 13.734 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.309 15.459 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 4 7.846 15.178 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.081 13.731 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.007 12.784 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.525 13.131 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.538 15.965 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.952 15.458 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.058 16.778 -4.286 1.00 0.00 H new ATOM 72 N ARG A 5 7.557 13.249 -0.501 1.00 0.00 N ATOM 73 CA ARG A 5 8.326 12.134 0.087 1.00 0.00 C ATOM 74 C ARG A 5 7.718 11.670 1.413 1.00 0.00 C ATOM 75 O ARG A 5 7.595 10.471 1.660 1.00 0.00 O ATOM 76 CB ARG A 5 9.796 12.561 0.252 1.00 0.00 C ATOM 77 CG ARG A 5 10.724 11.356 0.474 1.00 0.00 C ATOM 78 CD ARG A 5 12.175 11.811 0.676 1.00 0.00 C ATOM 79 NE ARG A 5 13.102 10.662 0.702 1.00 0.00 N ATOM 80 CZ ARG A 5 14.374 10.677 1.063 1.00 0.00 C ATOM 81 NH1 ARG A 5 14.960 11.756 1.502 1.00 0.00 N ATOM 82 NH2 ARG A 5 15.093 9.594 0.986 1.00 0.00 N ATOM 0 H ARG A 5 8.049 14.142 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 5 8.283 11.279 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.117 13.107 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.882 13.245 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.391 10.792 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.665 10.684 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.459 12.492 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.257 12.367 1.610 1.00 0.00 H new ATOM 0 HE ARG A 5 12.721 9.762 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.435 12.627 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.943 11.729 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.676 8.728 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.074 9.612 1.266 1.00 0.00 H new ATOM 96 N GLU A 6 7.270 12.628 2.226 1.00 0.00 N ATOM 97 CA GLU A 6 6.519 12.391 3.465 1.00 0.00 C ATOM 98 C GLU A 6 5.206 11.634 3.186 1.00 0.00 C ATOM 99 O GLU A 6 4.850 10.696 3.902 1.00 0.00 O ATOM 100 CB GLU A 6 6.260 13.749 4.149 1.00 0.00 C ATOM 101 CG GLU A 6 5.917 13.597 5.635 1.00 0.00 C ATOM 102 CD GLU A 6 5.787 14.975 6.314 1.00 0.00 C ATOM 103 OE1 GLU A 6 6.818 15.528 6.772 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.658 15.515 6.406 1.00 0.00 O ATOM 0 H GLU A 6 7.423 13.619 2.038 1.00 0.00 H new ATOM 0 HA GLU A 6 7.103 11.758 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.143 14.380 4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.442 14.259 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.983 13.045 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.691 13.013 6.133 1.00 0.00 H new ATOM 111 N LEU A 7 4.536 12.000 2.089 1.00 0.00 N ATOM 112 CA LEU A 7 3.329 11.373 1.563 1.00 0.00 C ATOM 113 C LEU A 7 3.591 9.906 1.147 1.00 0.00 C ATOM 114 O LEU A 7 2.957 9.009 1.695 1.00 0.00 O ATOM 115 CB LEU A 7 2.727 12.359 0.520 1.00 0.00 C ATOM 116 CG LEU A 7 2.326 11.782 -0.832 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.142 10.850 -0.701 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.902 12.849 -1.847 1.00 0.00 C ATOM 0 H LEU A 7 4.842 12.786 1.515 1.00 0.00 H new ATOM 0 HA LEU A 7 2.545 11.225 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.847 12.824 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.454 13.153 0.347 1.00 0.00 H new ATOM 0 HG LEU A 7 3.220 11.267 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.880 10.455 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.399 10.026 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.292 11.396 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.630 12.369 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.045 13.400 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.729 13.538 -2.018 1.00 0.00 H new ATOM 130 N TYR A 8 4.558 9.647 0.263 1.00 0.00 N ATOM 131 CA TYR A 8 4.951 8.326 -0.278 1.00 0.00 C ATOM 132 C TYR A 8 5.271 7.306 0.821 1.00 0.00 C ATOM 133 O TYR A 8 4.889 6.137 0.736 1.00 0.00 O ATOM 134 CB TYR A 8 6.227 8.589 -1.111 1.00 0.00 C ATOM 135 CG TYR A 8 6.617 7.709 -2.289 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.288 6.340 -2.364 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.426 8.282 -3.294 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.790 5.549 -3.418 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.908 7.500 -4.360 1.00 0.00 C ATOM 140 CZ TYR A 8 7.602 6.127 -4.417 1.00 0.00 C ATOM 141 OH TYR A 8 8.109 5.366 -5.423 1.00 0.00 O ATOM 0 H TYR A 8 5.130 10.398 -0.124 1.00 0.00 H new ATOM 0 HA TYR A 8 4.131 7.902 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.149 9.607 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.066 8.572 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.651 5.897 -1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.678 9.331 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.552 4.496 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.512 7.952 -5.133 1.00 0.00 H new ATOM 0 HH TYR A 8 8.644 5.929 -6.021 1.00 0.00 H new ATOM 151 N LYS A 9 5.975 7.747 1.864 1.00 0.00 N ATOM 152 CA LYS A 9 6.349 6.885 2.992 1.00 0.00 C ATOM 153 C LYS A 9 5.151 6.434 3.824 1.00 0.00 C ATOM 154 O LYS A 9 4.996 5.238 4.054 1.00 0.00 O ATOM 155 CB LYS A 9 7.440 7.587 3.819 1.00 0.00 C ATOM 156 CG LYS A 9 8.115 6.643 4.825 1.00 0.00 C ATOM 157 CD LYS A 9 9.306 7.339 5.498 1.00 0.00 C ATOM 158 CE LYS A 9 10.026 6.375 6.450 1.00 0.00 C ATOM 159 NZ LYS A 9 11.220 7.009 7.067 1.00 0.00 N ATOM 0 H LYS A 9 6.303 8.709 1.953 1.00 0.00 H new ATOM 0 HA LYS A 9 6.760 5.954 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.194 7.996 3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.000 8.429 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.394 6.331 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.454 5.741 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.002 7.697 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.959 8.213 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.338 6.053 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.328 5.481 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.683 6.330 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.886 7.293 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.927 7.848 7.608 1.00 0.00 H new ATOM 173 N LEU A 10 4.258 7.349 4.196 1.00 0.00 N ATOM 174 CA LEU A 10 2.989 7.027 4.848 1.00 0.00 C ATOM 175 C LEU A 10 2.078 6.159 3.959 1.00 0.00 C ATOM 176 O LEU A 10 1.460 5.208 4.437 1.00 0.00 O ATOM 177 CB LEU A 10 2.304 8.328 5.309 1.00 0.00 C ATOM 178 CG LEU A 10 2.960 8.918 6.574 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.534 10.368 6.773 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.565 8.143 7.833 1.00 0.00 C ATOM 0 H LEU A 10 4.397 8.349 4.051 1.00 0.00 H new ATOM 0 HA LEU A 10 3.194 6.417 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.345 9.062 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.250 8.131 5.507 1.00 0.00 H new ATOM 0 HG LEU A 10 4.038 8.848 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.007 10.766 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.839 10.959 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.451 10.417 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.048 8.590 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.483 8.181 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.882 7.105 7.736 1.00 0.00 H new ATOM 192 N GLU A 11 2.073 6.421 2.651 1.00 0.00 N ATOM 193 CA GLU A 11 1.472 5.580 1.609 1.00 0.00 C ATOM 194 C GLU A 11 2.009 4.138 1.600 1.00 0.00 C ATOM 195 O GLU A 11 1.219 3.204 1.439 1.00 0.00 O ATOM 196 CB GLU A 11 1.666 6.308 0.248 1.00 0.00 C ATOM 197 CG GLU A 11 0.433 7.077 -0.248 1.00 0.00 C ATOM 198 CD GLU A 11 -0.668 6.195 -0.847 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.350 5.366 -0.227 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.125 6.266 -2.005 1.00 0.00 O ATOM 0 H GLU A 11 2.506 7.262 2.270 1.00 0.00 H new ATOM 0 HA GLU A 11 0.409 5.455 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.500 7.004 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.946 5.572 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.015 7.643 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.750 7.801 -0.999 1.00 0.00 H new ATOM 207 N GLN A 12 3.305 3.907 1.854 1.00 0.00 N ATOM 208 CA GLN A 12 3.858 2.556 1.955 1.00 0.00 C ATOM 209 C GLN A 12 3.755 1.907 3.330 1.00 0.00 C ATOM 210 O GLN A 12 3.762 0.682 3.422 1.00 0.00 O ATOM 211 CB GLN A 12 5.307 2.579 1.483 1.00 0.00 C ATOM 212 CG GLN A 12 5.306 2.711 -0.037 1.00 0.00 C ATOM 213 CD GLN A 12 6.717 2.731 -0.613 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.198 1.770 -1.198 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.439 3.821 -0.458 1.00 0.00 N ATOM 0 H GLN A 12 3.992 4.648 1.994 1.00 0.00 H new ATOM 0 HA GLN A 12 3.239 1.928 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.843 3.412 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.821 1.667 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.749 1.881 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.786 3.626 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.047 4.627 0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.390 3.859 -0.824 1.00 0.00 H new ATOM 224 N GLN A 13 3.592 2.681 4.396 1.00 0.00 N ATOM 225 CA GLN A 13 3.381 2.124 5.734 1.00 0.00 C ATOM 226 C GLN A 13 2.069 1.337 5.843 1.00 0.00 C ATOM 227 O GLN A 13 2.048 0.329 6.550 1.00 0.00 O ATOM 228 CB GLN A 13 3.466 3.236 6.793 1.00 0.00 C ATOM 229 CG GLN A 13 4.901 3.715 7.072 1.00 0.00 C ATOM 230 CD GLN A 13 5.680 2.732 7.947 1.00 0.00 C ATOM 231 OE1 GLN A 13 6.251 1.755 7.481 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.735 2.946 9.245 1.00 0.00 N ATOM 0 H GLN A 13 3.601 3.700 4.363 1.00 0.00 H new ATOM 0 HA GLN A 13 4.179 1.406 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.866 4.085 6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.026 2.875 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.426 3.852 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.868 4.688 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.264 3.756 9.649 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.248 2.302 9.847 1.00 0.00 H new ATOM 241 N ALA A 14 1.008 1.696 5.101 1.00 0.00 N ATOM 242 CA ALA A 14 -0.197 0.860 5.047 1.00 0.00 C ATOM 243 C ALA A 14 0.022 -0.405 4.201 1.00 0.00 C ATOM 244 O ALA A 14 -0.444 -1.468 4.590 1.00 0.00 O ATOM 245 CB ALA A 14 -1.358 1.704 4.507 1.00 0.00 C ATOM 0 H ALA A 14 0.962 2.546 4.539 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.437 0.515 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.261 1.095 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.527 2.555 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.112 2.064 3.508 1.00 0.00 H new ATOM 251 N MET A 15 0.781 -0.342 3.101 1.00 0.00 N ATOM 252 CA MET A 15 1.172 -1.525 2.304 1.00 0.00 C ATOM 253 C MET A 15 2.042 -2.509 3.094 1.00 0.00 C ATOM 254 O MET A 15 1.828 -3.715 3.010 1.00 0.00 O ATOM 255 CB MET A 15 1.995 -1.086 1.084 1.00 0.00 C ATOM 256 CG MET A 15 1.187 -0.293 0.060 1.00 0.00 C ATOM 257 SD MET A 15 1.505 -0.810 -1.644 1.00 0.00 S ATOM 258 CE MET A 15 0.719 -2.441 -1.533 1.00 0.00 C ATOM 0 H MET A 15 1.147 0.535 2.731 1.00 0.00 H new ATOM 0 HA MET A 15 0.243 -2.016 2.016 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.835 -0.479 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.413 -1.969 0.601 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.125 -0.407 0.276 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.421 0.767 0.162 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.431 -3.209 -1.835 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.403 -2.623 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.150 -2.472 -2.191 1.00 0.00 H new ATOM 268 N LYS A 16 3.014 -2.018 3.877 1.00 0.00 N ATOM 269 CA LYS A 16 3.898 -2.855 4.703 1.00 0.00 C ATOM 270 C LYS A 16 3.109 -3.588 5.787 1.00 0.00 C ATOM 271 O LYS A 16 3.300 -4.782 6.009 1.00 0.00 O ATOM 272 CB LYS A 16 4.973 -1.946 5.322 1.00 0.00 C ATOM 273 CG LYS A 16 6.201 -2.697 5.870 1.00 0.00 C ATOM 274 CD LYS A 16 7.388 -2.751 4.892 1.00 0.00 C ATOM 275 CE LYS A 16 7.064 -3.467 3.574 1.00 0.00 C ATOM 276 NZ LYS A 16 8.252 -3.517 2.677 1.00 0.00 N ATOM 0 H LYS A 16 3.211 -1.020 3.956 1.00 0.00 H new ATOM 0 HA LYS A 16 4.368 -3.620 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.305 -1.232 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.523 -1.370 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.526 -2.217 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.907 -3.715 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.715 -1.734 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.224 -3.257 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.721 -4.480 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.247 -2.952 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.001 -4.007 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.563 -2.549 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.023 -4.030 3.150 1.00 0.00 H new ATOM 290 N LEU A 17 2.159 -2.877 6.392 1.00 0.00 N ATOM 291 CA LEU A 17 1.138 -3.437 7.269 1.00 0.00 C ATOM 292 C LEU A 17 0.238 -4.451 6.546 1.00 0.00 C ATOM 293 O LEU A 17 0.028 -5.549 7.057 1.00 0.00 O ATOM 294 CB LEU A 17 0.343 -2.251 7.838 1.00 0.00 C ATOM 295 CG LEU A 17 0.868 -1.763 9.196 1.00 0.00 C ATOM 296 CD1 LEU A 17 0.127 -0.488 9.568 1.00 0.00 C ATOM 297 CD2 LEU A 17 0.667 -2.777 10.328 1.00 0.00 C ATOM 0 H LEU A 17 2.078 -1.866 6.281 1.00 0.00 H new ATOM 0 HA LEU A 17 1.600 -4.006 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.375 -1.426 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.703 -2.541 7.943 1.00 0.00 H new ATOM 0 HG LEU A 17 1.941 -1.606 9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.487 -0.126 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.304 0.271 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.941 -0.694 9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.061 -2.367 11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.396 -2.986 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.194 -3.700 10.087 1.00 0.00 H new ATOM 309 N TYR A 18 -0.230 -4.136 5.335 1.00 0.00 N ATOM 310 CA TYR A 18 -1.040 -5.025 4.498 1.00 0.00 C ATOM 311 C TYR A 18 -0.312 -6.327 4.110 1.00 0.00 C ATOM 312 O TYR A 18 -0.950 -7.380 4.037 1.00 0.00 O ATOM 313 CB TYR A 18 -1.550 -4.267 3.259 1.00 0.00 C ATOM 314 CG TYR A 18 -2.912 -3.606 3.402 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.015 -4.384 3.800 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.096 -2.241 3.111 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.280 -3.795 3.988 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.359 -1.647 3.304 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.443 -2.412 3.775 1.00 0.00 C ATOM 320 OH TYR A 18 -6.628 -1.805 4.043 1.00 0.00 O ATOM 0 H TYR A 18 -0.051 -3.232 4.898 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.895 -5.339 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.820 -3.500 3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.591 -4.964 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.890 -5.444 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.271 -1.651 2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.121 -4.400 4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.497 -0.598 3.089 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.560 -0.849 3.838 1.00 0.00 H new ATOM 330 N ARG A 19 1.018 -6.291 3.929 1.00 0.00 N ATOM 331 CA ARG A 19 1.874 -7.468 3.676 1.00 0.00 C ATOM 332 C ARG A 19 1.735 -8.527 4.782 1.00 0.00 C ATOM 333 O ARG A 19 1.650 -9.718 4.494 1.00 0.00 O ATOM 334 CB ARG A 19 3.334 -6.983 3.518 1.00 0.00 C ATOM 335 CG ARG A 19 4.214 -7.735 2.504 1.00 0.00 C ATOM 336 CD ARG A 19 4.592 -9.177 2.874 1.00 0.00 C ATOM 337 NE ARG A 19 3.665 -10.170 2.293 1.00 0.00 N ATOM 338 CZ ARG A 19 3.864 -11.473 2.201 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.944 -12.047 2.656 1.00 0.00 N ATOM 340 NH2 ARG A 19 2.974 -12.237 1.635 1.00 0.00 N ATOM 0 H ARG A 19 1.545 -5.418 3.955 1.00 0.00 H new ATOM 0 HA ARG A 19 1.554 -7.959 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.313 -5.931 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.817 -7.040 4.493 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.695 -7.752 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.132 -7.166 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.605 -9.384 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.598 -9.281 3.959 1.00 0.00 H new ATOM 0 HE ARG A 19 2.783 -9.814 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.671 -11.486 3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.062 -13.056 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.117 -11.830 1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.134 -13.242 1.567 1.00 0.00 H new ATOM 354 N GLU A 20 1.647 -8.089 6.038 1.00 0.00 N ATOM 355 CA GLU A 20 1.489 -8.954 7.219 1.00 0.00 C ATOM 356 C GLU A 20 0.026 -9.251 7.553 1.00 0.00 C ATOM 357 O GLU A 20 -0.326 -10.375 7.912 1.00 0.00 O ATOM 358 CB GLU A 20 2.130 -8.249 8.424 1.00 0.00 C ATOM 359 CG GLU A 20 2.746 -9.208 9.450 1.00 0.00 C ATOM 360 CD GLU A 20 4.089 -9.787 8.962 1.00 0.00 C ATOM 361 OE1 GLU A 20 4.091 -10.818 8.248 1.00 0.00 O ATOM 362 OE2 GLU A 20 5.157 -9.216 9.297 1.00 0.00 O ATOM 0 H GLU A 20 1.684 -7.097 6.274 1.00 0.00 H new ATOM 0 HA GLU A 20 1.971 -9.906 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.904 -7.570 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.375 -7.639 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.898 -8.682 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.050 -10.023 9.649 1.00 0.00 H new ATOM 369 N ALA A 21 -0.842 -8.255 7.381 1.00 0.00 N ATOM 370 CA ALA A 21 -2.293 -8.417 7.476 1.00 0.00 C ATOM 371 C ALA A 21 -2.823 -9.497 6.516 1.00 0.00 C ATOM 372 O ALA A 21 -3.787 -10.177 6.850 1.00 0.00 O ATOM 373 CB ALA A 21 -2.980 -7.076 7.221 1.00 0.00 C ATOM 0 H ALA A 21 -0.554 -7.300 7.169 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.526 -8.755 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.060 -7.201 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.649 -6.350 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.722 -6.719 6.224 1.00 0.00 H new ATOM 379 N SER A 22 -2.168 -9.716 5.369 1.00 0.00 N ATOM 380 CA SER A 22 -2.433 -10.842 4.463 1.00 0.00 C ATOM 381 C SER A 22 -2.276 -12.212 5.142 1.00 0.00 C ATOM 382 O SER A 22 -3.072 -13.116 4.883 1.00 0.00 O ATOM 383 CB SER A 22 -1.507 -10.732 3.244 1.00 0.00 C ATOM 384 OG SER A 22 -1.832 -11.690 2.250 1.00 0.00 O ATOM 0 H SER A 22 -1.423 -9.103 5.037 1.00 0.00 H new ATOM 0 HA SER A 22 -3.476 -10.779 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.580 -9.730 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.473 -10.871 3.559 1.00 0.00 H new ATOM 0 HG SER A 22 -1.224 -11.590 1.488 1.00 0.00 H new ATOM 390 N GLU A 23 -1.313 -12.377 6.064 1.00 0.00 N ATOM 391 CA GLU A 23 -1.193 -13.612 6.859 1.00 0.00 C ATOM 392 C GLU A 23 -2.332 -13.763 7.880 1.00 0.00 C ATOM 393 O GLU A 23 -2.904 -14.844 8.029 1.00 0.00 O ATOM 394 CB GLU A 23 0.162 -13.627 7.580 1.00 0.00 C ATOM 395 CG GLU A 23 0.578 -15.049 7.978 1.00 0.00 C ATOM 396 CD GLU A 23 1.971 -15.062 8.638 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.065 -14.852 9.872 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.979 -15.310 7.931 1.00 0.00 O ATOM 0 H GLU A 23 -0.607 -11.672 6.277 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.263 -14.455 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.924 -13.193 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.107 -13.001 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.157 -15.466 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.586 -15.688 7.095 1.00 0.00 H new ATOM 405 N LYS A 24 -2.690 -12.669 8.564 1.00 0.00 N ATOM 406 CA LYS A 24 -3.801 -12.635 9.538 1.00 0.00 C ATOM 407 C LYS A 24 -5.182 -12.844 8.889 1.00 0.00 C ATOM 408 O LYS A 24 -6.011 -13.575 9.431 1.00 0.00 O ATOM 409 CB LYS A 24 -3.757 -11.324 10.343 1.00 0.00 C ATOM 410 CG LYS A 24 -2.558 -11.284 11.309 1.00 0.00 C ATOM 411 CD LYS A 24 -2.540 -9.977 12.110 1.00 0.00 C ATOM 412 CE LYS A 24 -1.443 -9.983 13.183 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.353 -8.679 13.900 1.00 0.00 N ATOM 0 H LYS A 24 -2.216 -11.772 8.460 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.660 -13.477 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.699 -10.479 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.683 -11.214 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.608 -12.132 11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.630 -11.382 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.382 -9.138 11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.511 -9.827 12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.643 -10.778 13.901 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.483 -10.208 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.600 -8.727 14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.136 -7.923 13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.260 -8.476 14.366 1.00 0.00 H new ATOM 427 N ALA A 25 -5.408 -12.275 7.705 1.00 0.00 N ATOM 428 CA ALA A 25 -6.647 -12.333 6.919 1.00 0.00 C ATOM 429 C ALA A 25 -6.772 -13.584 6.021 1.00 0.00 C ATOM 430 O ALA A 25 -7.459 -13.533 5.000 1.00 0.00 O ATOM 431 CB ALA A 25 -6.730 -11.056 6.068 1.00 0.00 C ATOM 0 H ALA A 25 -4.687 -11.726 7.237 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.477 -12.404 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.643 -11.074 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.739 -10.183 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.866 -11.004 5.405 1.00 0.00 H new ATOM 437 N ARG A 26 -6.100 -14.696 6.358 1.00 0.00 N ATOM 438 CA ARG A 26 -5.974 -15.923 5.536 1.00 0.00 C ATOM 439 C ARG A 26 -7.279 -16.506 4.947 1.00 0.00 C ATOM 440 O ARG A 26 -7.229 -17.222 3.946 1.00 0.00 O ATOM 441 CB ARG A 26 -5.201 -16.985 6.349 1.00 0.00 C ATOM 442 CG ARG A 26 -5.963 -17.502 7.593 1.00 0.00 C ATOM 443 CD ARG A 26 -5.277 -17.179 8.927 1.00 0.00 C ATOM 444 NE ARG A 26 -4.106 -18.042 9.178 1.00 0.00 N ATOM 445 CZ ARG A 26 -3.455 -18.167 10.323 1.00 0.00 C ATOM 446 NH1 ARG A 26 -3.765 -17.464 11.378 1.00 0.00 N ATOM 447 NH2 ARG A 26 -2.477 -19.017 10.437 1.00 0.00 N ATOM 0 H ARG A 26 -5.607 -14.774 7.247 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.427 -15.621 4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.972 -17.829 5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.249 -16.561 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.964 -17.071 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.082 -18.582 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.963 -16.135 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.994 -17.297 9.740 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.766 -18.596 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.531 -16.792 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.241 -17.587 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.207 -19.593 9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.980 -19.107 11.323 1.00 0.00 H new ATOM 461 N ASN A 27 -8.432 -16.219 5.555 1.00 0.00 N ATOM 462 CA ASN A 27 -9.766 -16.654 5.122 1.00 0.00 C ATOM 463 C ASN A 27 -10.188 -15.969 3.794 1.00 0.00 C ATOM 464 O ASN A 27 -10.097 -14.741 3.702 1.00 0.00 O ATOM 465 CB ASN A 27 -10.730 -16.321 6.280 1.00 0.00 C ATOM 466 CG ASN A 27 -12.119 -16.900 6.083 1.00 0.00 C ATOM 467 OD1 ASN A 27 -12.318 -18.105 6.071 1.00 0.00 O ATOM 468 ND2 ASN A 27 -13.124 -16.071 5.922 1.00 0.00 N ATOM 0 H ASN A 27 -8.465 -15.651 6.402 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.779 -17.723 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.313 -16.701 7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.805 -15.238 6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.068 -16.434 5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.961 -15.064 5.932 1.00 0.00 H new ATOM 475 N PRO A 28 -10.685 -16.697 2.769 1.00 0.00 N ATOM 476 CA PRO A 28 -10.848 -16.166 1.407 1.00 0.00 C ATOM 477 C PRO A 28 -11.830 -14.990 1.297 1.00 0.00 C ATOM 478 O PRO A 28 -11.637 -14.100 0.467 1.00 0.00 O ATOM 479 CB PRO A 28 -11.253 -17.358 0.532 1.00 0.00 C ATOM 480 CG PRO A 28 -11.847 -18.358 1.520 1.00 0.00 C ATOM 481 CD PRO A 28 -11.053 -18.103 2.799 1.00 0.00 C ATOM 0 HA PRO A 28 -9.910 -15.725 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.980 -17.067 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.395 -17.778 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.914 -18.191 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.731 -19.384 1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.651 -18.331 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.168 -18.737 2.841 1.00 0.00 H new ATOM 489 N GLU A 29 -12.829 -14.933 2.184 1.00 0.00 N ATOM 490 CA GLU A 29 -13.813 -13.841 2.301 1.00 0.00 C ATOM 491 C GLU A 29 -13.195 -12.445 2.501 1.00 0.00 C ATOM 492 O GLU A 29 -13.781 -11.435 2.109 1.00 0.00 O ATOM 493 CB GLU A 29 -14.726 -14.152 3.498 1.00 0.00 C ATOM 494 CG GLU A 29 -16.172 -13.665 3.332 1.00 0.00 C ATOM 495 CD GLU A 29 -16.938 -14.476 2.267 1.00 0.00 C ATOM 496 OE1 GLU A 29 -17.451 -15.576 2.588 1.00 0.00 O ATOM 497 OE2 GLU A 29 -17.042 -14.017 1.103 1.00 0.00 O ATOM 0 H GLU A 29 -12.984 -15.673 2.869 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.354 -13.800 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.734 -15.229 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.302 -13.696 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.691 -13.740 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.170 -12.611 3.053 1.00 0.00 H new ATOM 504 N LYS A 30 -11.999 -12.408 3.098 1.00 0.00 N ATOM 505 CA LYS A 30 -11.199 -11.208 3.387 1.00 0.00 C ATOM 506 C LYS A 30 -9.869 -11.178 2.640 1.00 0.00 C ATOM 507 O LYS A 30 -9.470 -10.101 2.192 1.00 0.00 O ATOM 508 CB LYS A 30 -11.042 -11.066 4.911 1.00 0.00 C ATOM 509 CG LYS A 30 -10.524 -9.678 5.325 1.00 0.00 C ATOM 510 CD LYS A 30 -10.416 -9.515 6.851 1.00 0.00 C ATOM 511 CE LYS A 30 -11.789 -9.505 7.546 1.00 0.00 C ATOM 512 NZ LYS A 30 -11.931 -10.600 8.544 1.00 0.00 N ATOM 0 H LYS A 30 -11.535 -13.261 3.411 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.732 -10.335 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.004 -11.249 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.354 -11.830 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.545 -9.511 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.191 -8.913 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.814 -10.328 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.892 -8.586 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.935 -8.545 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.573 -9.598 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.872 -10.549 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.819 -11.519 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.201 -10.498 9.277 1.00 0.00 H new ATOM 526 N LYS A 31 -9.249 -12.334 2.370 1.00 0.00 N ATOM 527 CA LYS A 31 -8.063 -12.448 1.498 1.00 0.00 C ATOM 528 C LYS A 31 -8.295 -11.891 0.088 1.00 0.00 C ATOM 529 O LYS A 31 -7.378 -11.341 -0.513 1.00 0.00 O ATOM 530 CB LYS A 31 -7.549 -13.899 1.505 1.00 0.00 C ATOM 531 CG LYS A 31 -6.161 -14.084 0.868 1.00 0.00 C ATOM 532 CD LYS A 31 -6.258 -14.547 -0.595 1.00 0.00 C ATOM 533 CE LYS A 31 -4.890 -14.606 -1.294 1.00 0.00 C ATOM 534 NZ LYS A 31 -4.004 -15.662 -0.734 1.00 0.00 N ATOM 0 H LYS A 31 -9.557 -13.228 2.753 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.278 -11.813 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.513 -14.254 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.265 -14.528 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.612 -13.144 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.592 -14.815 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.721 -15.533 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.912 -13.869 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.038 -14.789 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.398 -13.638 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.096 -15.658 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.838 -15.476 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.458 -16.591 -0.845 1.00 0.00 H new ATOM 548 N SER A 32 -9.534 -11.947 -0.397 1.00 0.00 N ATOM 549 CA SER A 32 -9.958 -11.379 -1.690 1.00 0.00 C ATOM 550 C SER A 32 -10.598 -9.979 -1.583 1.00 0.00 C ATOM 551 O SER A 32 -11.131 -9.462 -2.567 1.00 0.00 O ATOM 552 CB SER A 32 -10.889 -12.381 -2.390 1.00 0.00 C ATOM 553 OG SER A 32 -10.979 -12.124 -3.783 1.00 0.00 O ATOM 0 H SER A 32 -10.297 -12.400 0.107 1.00 0.00 H new ATOM 0 HA SER A 32 -9.062 -11.220 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.521 -13.394 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.882 -12.328 -1.945 1.00 0.00 H new ATOM 0 HG SER A 32 -11.001 -11.156 -3.936 1.00 0.00 H new ATOM 559 N VAL A 33 -10.513 -9.334 -0.412 1.00 0.00 N ATOM 560 CA VAL A 33 -10.931 -7.936 -0.184 1.00 0.00 C ATOM 561 C VAL A 33 -9.711 -7.056 0.071 1.00 0.00 C ATOM 562 O VAL A 33 -9.553 -6.043 -0.616 1.00 0.00 O ATOM 563 CB VAL A 33 -11.958 -7.826 0.963 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.314 -6.372 1.304 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.262 -8.536 0.581 1.00 0.00 C ATOM 0 H VAL A 33 -10.142 -9.778 0.428 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.429 -7.580 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.488 -8.291 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.040 -6.356 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.414 -5.839 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.741 -5.887 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.976 -8.450 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.679 -8.075 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.059 -9.589 0.386 1.00 0.00 H new ATOM 575 N LEU A 34 -8.786 -7.450 0.961 1.00 0.00 N ATOM 576 CA LEU A 34 -7.552 -6.681 1.153 1.00 0.00 C ATOM 577 C LEU A 34 -6.613 -6.742 -0.078 1.00 0.00 C ATOM 578 O LEU A 34 -5.827 -5.820 -0.296 1.00 0.00 O ATOM 579 CB LEU A 34 -6.921 -7.016 2.521 1.00 0.00 C ATOM 580 CG LEU A 34 -5.836 -8.083 2.497 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.114 -8.171 3.842 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.336 -9.482 2.181 1.00 0.00 C ATOM 0 H LEU A 34 -8.868 -8.281 1.547 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.788 -5.618 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.499 -6.103 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.712 -7.342 3.197 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.172 -7.759 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.345 -8.942 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.651 -7.211 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.831 -8.423 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.497 -10.178 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.064 -9.787 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.807 -9.487 1.198 1.00 0.00 H new ATOM 594 N GLN A 35 -6.743 -7.770 -0.930 1.00 0.00 N ATOM 595 CA GLN A 35 -6.007 -7.887 -2.195 1.00 0.00 C ATOM 596 C GLN A 35 -6.335 -6.754 -3.190 1.00 0.00 C ATOM 597 O GLN A 35 -5.449 -6.299 -3.917 1.00 0.00 O ATOM 598 CB GLN A 35 -6.271 -9.289 -2.777 1.00 0.00 C ATOM 599 CG GLN A 35 -5.654 -9.578 -4.158 1.00 0.00 C ATOM 600 CD GLN A 35 -6.649 -9.448 -5.318 1.00 0.00 C ATOM 601 OE1 GLN A 35 -7.503 -8.573 -5.367 1.00 0.00 O ATOM 602 NE2 GLN A 35 -6.609 -10.340 -6.287 1.00 0.00 N ATOM 0 H GLN A 35 -7.372 -8.554 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.941 -7.771 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.894 -10.030 -2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.349 -9.434 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.823 -8.893 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.240 -10.586 -4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.907 -11.080 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.280 -10.291 -7.054 1.00 0.00 H new ATOM 611 N LYS A 36 -7.576 -6.249 -3.201 1.00 0.00 N ATOM 612 CA LYS A 36 -7.998 -5.189 -4.134 1.00 0.00 C ATOM 613 C LYS A 36 -7.426 -3.822 -3.758 1.00 0.00 C ATOM 614 O LYS A 36 -6.994 -3.075 -4.635 1.00 0.00 O ATOM 615 CB LYS A 36 -9.535 -5.180 -4.213 1.00 0.00 C ATOM 616 CG LYS A 36 -10.048 -4.412 -5.439 1.00 0.00 C ATOM 617 CD LYS A 36 -11.579 -4.483 -5.526 1.00 0.00 C ATOM 618 CE LYS A 36 -12.069 -3.786 -6.800 1.00 0.00 C ATOM 619 NZ LYS A 36 -13.547 -3.876 -6.939 1.00 0.00 N ATOM 0 H LYS A 36 -8.314 -6.560 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.594 -5.405 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.901 -6.206 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.941 -4.729 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.731 -3.371 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.608 -4.829 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.903 -5.524 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.023 -4.010 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.768 -2.739 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.593 -4.239 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.844 -3.394 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.831 -4.875 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.001 -3.421 -6.121 1.00 0.00 H new ATOM 633 N ILE A 37 -7.334 -3.536 -2.456 1.00 0.00 N ATOM 634 CA ILE A 37 -6.562 -2.402 -1.929 1.00 0.00 C ATOM 635 C ILE A 37 -5.089 -2.598 -2.283 1.00 0.00 C ATOM 636 O ILE A 37 -4.530 -1.712 -2.911 1.00 0.00 O ATOM 637 CB ILE A 37 -6.752 -2.276 -0.399 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.218 -2.015 -0.018 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.804 -1.210 0.181 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.530 -1.936 1.481 1.00 0.00 C ATOM 0 H ILE A 37 -7.795 -4.087 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.920 -1.476 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.488 -3.234 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.530 -1.079 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.830 -2.805 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.954 -1.137 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.771 -1.492 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.015 -0.245 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.595 -1.749 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.261 -2.878 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.957 -1.125 1.930 1.00 0.00 H new ATOM 652 N LEU A 38 -4.470 -3.747 -1.976 1.00 0.00 N ATOM 653 CA LEU A 38 -3.064 -4.017 -2.323 1.00 0.00 C ATOM 654 C LEU A 38 -2.736 -3.687 -3.796 1.00 0.00 C ATOM 655 O LEU A 38 -1.712 -3.055 -4.061 1.00 0.00 O ATOM 656 CB LEU A 38 -2.709 -5.482 -1.994 1.00 0.00 C ATOM 657 CG LEU A 38 -2.310 -5.751 -0.531 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.260 -7.257 -0.266 1.00 0.00 C ATOM 659 CD2 LEU A 38 -0.924 -5.174 -0.228 1.00 0.00 C ATOM 0 H LEU A 38 -4.926 -4.514 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.449 -3.353 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.565 -6.110 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.888 -5.793 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.056 -5.275 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.977 -7.435 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.241 -7.692 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.526 -7.718 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.665 -5.377 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.186 -5.637 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.934 -4.097 -0.396 1.00 0.00 H new ATOM 671 N GLU A 39 -3.617 -4.035 -4.743 1.00 0.00 N ATOM 672 CA GLU A 39 -3.413 -3.724 -6.165 1.00 0.00 C ATOM 673 C GLU A 39 -3.495 -2.221 -6.500 1.00 0.00 C ATOM 674 O GLU A 39 -2.701 -1.713 -7.292 1.00 0.00 O ATOM 675 CB GLU A 39 -4.422 -4.520 -7.021 1.00 0.00 C ATOM 676 CG GLU A 39 -3.758 -5.307 -8.155 1.00 0.00 C ATOM 677 CD GLU A 39 -3.021 -6.558 -7.632 1.00 0.00 C ATOM 678 OE1 GLU A 39 -1.814 -6.466 -7.302 1.00 0.00 O ATOM 679 OE2 GLU A 39 -3.636 -7.650 -7.576 1.00 0.00 O ATOM 0 H GLU A 39 -4.484 -4.536 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.392 -4.023 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.969 -5.211 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.153 -3.831 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.515 -5.608 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.052 -4.663 -8.680 1.00 0.00 H new ATOM 686 N ASP A 40 -4.421 -1.499 -5.873 1.00 0.00 N ATOM 687 CA ASP A 40 -4.606 -0.051 -5.973 1.00 0.00 C ATOM 688 C ASP A 40 -3.460 0.751 -5.330 1.00 0.00 C ATOM 689 O ASP A 40 -3.090 1.824 -5.798 1.00 0.00 O ATOM 690 CB ASP A 40 -5.910 0.256 -5.218 1.00 0.00 C ATOM 691 CG ASP A 40 -7.204 0.212 -6.043 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.188 -0.086 -7.262 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.256 0.497 -5.426 1.00 0.00 O ATOM 0 H ASP A 40 -5.100 -1.931 -5.247 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.631 0.238 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.004 -0.454 -4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.822 1.247 -4.774 1.00 0.00 H new ATOM 698 N GLU A 41 -2.886 0.237 -4.249 1.00 0.00 N ATOM 699 CA GLU A 41 -1.947 0.912 -3.365 1.00 0.00 C ATOM 700 C GLU A 41 -0.550 0.821 -3.996 1.00 0.00 C ATOM 701 O GLU A 41 0.156 1.823 -4.093 1.00 0.00 O ATOM 702 CB GLU A 41 -2.101 0.232 -1.978 1.00 0.00 C ATOM 703 CG GLU A 41 -2.116 1.037 -0.677 1.00 0.00 C ATOM 704 CD GLU A 41 -2.986 2.288 -0.744 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.587 3.285 -1.390 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.086 2.340 -0.139 1.00 0.00 O ATOM 0 H GLU A 41 -3.076 -0.719 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.130 1.978 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.032 -0.335 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.290 -0.491 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.473 0.399 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.095 1.327 -0.427 1.00 0.00 H new ATOM 713 N GLU A 42 -0.220 -0.328 -4.599 1.00 0.00 N ATOM 714 CA GLU A 42 0.914 -0.468 -5.517 1.00 0.00 C ATOM 715 C GLU A 42 0.795 0.457 -6.746 1.00 0.00 C ATOM 716 O GLU A 42 1.800 1.009 -7.200 1.00 0.00 O ATOM 717 CB GLU A 42 1.053 -1.942 -5.930 1.00 0.00 C ATOM 718 CG GLU A 42 2.349 -2.211 -6.706 1.00 0.00 C ATOM 719 CD GLU A 42 2.529 -3.714 -6.995 1.00 0.00 C ATOM 720 OE1 GLU A 42 3.068 -4.445 -6.127 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.156 -4.174 -8.102 1.00 0.00 O ATOM 0 H GLU A 42 -0.739 -1.195 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 42 1.818 -0.154 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.029 -2.570 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.199 -2.227 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.334 -1.658 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.201 -1.844 -6.133 1.00 0.00 H new ATOM 728 N LYS A 43 -0.426 0.690 -7.257 1.00 0.00 N ATOM 729 CA LYS A 43 -0.675 1.618 -8.375 1.00 0.00 C ATOM 730 C LYS A 43 -0.294 3.056 -8.017 1.00 0.00 C ATOM 731 O LYS A 43 0.371 3.720 -8.807 1.00 0.00 O ATOM 732 CB LYS A 43 -2.145 1.539 -8.843 1.00 0.00 C ATOM 733 CG LYS A 43 -2.312 1.493 -10.370 1.00 0.00 C ATOM 734 CD LYS A 43 -1.870 0.144 -10.967 1.00 0.00 C ATOM 735 CE LYS A 43 -2.167 0.039 -12.471 1.00 0.00 C ATOM 736 NZ LYS A 43 -3.618 -0.133 -12.754 1.00 0.00 N ATOM 0 H LYS A 43 -1.271 0.239 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.035 1.307 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.606 0.651 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.686 2.401 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.356 1.676 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.729 2.296 -10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.801 0.010 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.378 -0.665 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.806 0.937 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.616 -0.803 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.766 -0.199 -13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.960 -1.003 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.144 0.683 -12.380 1.00 0.00 H new ATOM 750 N HIS A 44 -0.623 3.529 -6.810 1.00 0.00 N ATOM 751 CA HIS A 44 -0.209 4.822 -6.309 1.00 0.00 C ATOM 752 C HIS A 44 1.308 4.919 -6.210 1.00 0.00 C ATOM 753 O HIS A 44 1.876 5.913 -6.644 1.00 0.00 O ATOM 754 CB HIS A 44 -0.842 5.000 -4.931 1.00 0.00 C ATOM 755 CG HIS A 44 -2.342 4.923 -4.861 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.089 4.806 -3.676 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.183 4.901 -5.933 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.368 4.666 -4.097 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.443 4.721 -5.437 1.00 0.00 N ATOM 0 H HIS A 44 -1.196 3.005 -6.149 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.534 5.607 -6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.431 4.239 -4.267 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.532 5.968 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.907 5.005 -6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.216 4.528 -3.442 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.296 4.642 -5.990 1.00 0.00 H new ATOM 767 N ILE A 45 1.965 3.878 -5.691 1.00 0.00 N ATOM 768 CA ILE A 45 3.426 3.794 -5.581 1.00 0.00 C ATOM 769 C ILE A 45 4.116 3.879 -6.958 1.00 0.00 C ATOM 770 O ILE A 45 5.122 4.577 -7.081 1.00 0.00 O ATOM 771 CB ILE A 45 3.798 2.536 -4.749 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.896 2.857 -3.239 1.00 0.00 C ATOM 773 CG2 ILE A 45 5.129 1.895 -5.177 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.585 3.213 -2.528 1.00 0.00 C ATOM 0 H ILE A 45 1.488 3.053 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 45 3.810 4.661 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 45 2.989 1.831 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.334 1.996 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.590 3.688 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.329 1.022 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.067 1.591 -6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.936 2.618 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.785 3.417 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.148 4.097 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.889 2.379 -2.610 1.00 0.00 H new ATOM 786 N GLU A 46 3.571 3.263 -8.014 1.00 0.00 N ATOM 787 CA GLU A 46 4.078 3.417 -9.385 1.00 0.00 C ATOM 788 C GLU A 46 4.020 4.871 -9.882 1.00 0.00 C ATOM 789 O GLU A 46 4.974 5.366 -10.488 1.00 0.00 O ATOM 790 CB GLU A 46 3.275 2.518 -10.340 1.00 0.00 C ATOM 791 CG GLU A 46 3.645 1.033 -10.278 1.00 0.00 C ATOM 792 CD GLU A 46 5.010 0.756 -10.941 1.00 0.00 C ATOM 793 OE1 GLU A 46 5.062 0.594 -12.186 1.00 0.00 O ATOM 794 OE2 GLU A 46 6.040 0.693 -10.227 1.00 0.00 O ATOM 0 H GLU A 46 2.765 2.642 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 46 5.127 3.120 -9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.214 2.625 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.420 2.873 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.673 0.708 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.873 0.445 -10.775 1.00 0.00 H new ATOM 801 N TRP A 47 2.920 5.576 -9.607 1.00 0.00 N ATOM 802 CA TRP A 47 2.737 6.970 -9.997 1.00 0.00 C ATOM 803 C TRP A 47 3.613 7.910 -9.153 1.00 0.00 C ATOM 804 O TRP A 47 4.254 8.813 -9.684 1.00 0.00 O ATOM 805 CB TRP A 47 1.250 7.333 -9.845 1.00 0.00 C ATOM 806 CG TRP A 47 0.207 6.447 -10.477 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.389 5.546 -11.472 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.214 6.358 -10.136 1.00 0.00 C ATOM 809 NE1 TRP A 47 -0.800 4.886 -11.732 1.00 0.00 N ATOM 810 CE2 TRP A 47 -1.827 5.355 -10.941 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.048 7.028 -9.218 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.189 5.029 -10.830 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.420 6.724 -9.098 1.00 0.00 C ATOM 814 CH2 TRP A 47 -3.990 5.718 -9.899 1.00 0.00 C ATOM 0 H TRP A 47 2.124 5.187 -9.101 1.00 0.00 H new ATOM 0 HA TRP A 47 3.045 7.093 -11.035 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.033 7.385 -8.778 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.115 8.337 -10.247 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.322 5.369 -11.986 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -0.903 4.144 -12.424 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.624 7.796 -8.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.618 4.258 -11.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.033 7.264 -8.391 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.038 5.475 -9.800 1.00 0.00 H new ATOM 825 N LEU A 48 3.706 7.659 -7.847 1.00 0.00 N ATOM 826 CA LEU A 48 4.589 8.344 -6.901 1.00 0.00 C ATOM 827 C LEU A 48 6.061 8.287 -7.332 1.00 0.00 C ATOM 828 O LEU A 48 6.768 9.291 -7.253 1.00 0.00 O ATOM 829 CB LEU A 48 4.371 7.707 -5.516 1.00 0.00 C ATOM 830 CG LEU A 48 3.123 8.236 -4.793 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.759 7.322 -3.623 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.344 9.646 -4.239 1.00 0.00 C ATOM 0 H LEU A 48 3.141 6.938 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 48 4.341 9.405 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.285 6.626 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.248 7.893 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 48 2.319 8.260 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.873 7.710 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.555 6.318 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.589 7.286 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.439 9.985 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.171 9.633 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.580 10.326 -5.058 1.00 0.00 H new ATOM 844 N GLU A 49 6.508 7.154 -7.869 1.00 0.00 N ATOM 845 CA GLU A 49 7.837 7.003 -8.477 1.00 0.00 C ATOM 846 C GLU A 49 8.007 7.890 -9.718 1.00 0.00 C ATOM 847 O GLU A 49 8.989 8.629 -9.806 1.00 0.00 O ATOM 848 CB GLU A 49 8.083 5.524 -8.834 1.00 0.00 C ATOM 849 CG GLU A 49 9.547 5.080 -8.699 1.00 0.00 C ATOM 850 CD GLU A 49 10.487 5.685 -9.762 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.229 5.517 -10.979 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.525 6.283 -9.383 1.00 0.00 O ATOM 0 H GLU A 49 5.952 6.299 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 49 8.577 7.329 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.464 4.899 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.755 5.350 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.910 5.356 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.594 3.993 -8.764 1.00 0.00 H new ATOM 859 N THR A 50 7.029 7.895 -10.638 1.00 0.00 N ATOM 860 CA THR A 50 7.071 8.780 -11.822 1.00 0.00 C ATOM 861 C THR A 50 7.009 10.277 -11.459 1.00 0.00 C ATOM 862 O THR A 50 7.408 11.127 -12.257 1.00 0.00 O ATOM 863 CB THR A 50 6.021 8.360 -12.879 1.00 0.00 C ATOM 864 OG1 THR A 50 6.631 8.299 -14.154 1.00 0.00 O ATOM 865 CG2 THR A 50 4.775 9.238 -13.036 1.00 0.00 C ATOM 0 H THR A 50 6.202 7.301 -10.589 1.00 0.00 H new ATOM 0 HA THR A 50 8.049 8.647 -12.285 1.00 0.00 H new ATOM 0 HB THR A 50 5.667 7.403 -12.496 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.966 8.031 -14.822 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.132 8.821 -13.811 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.232 9.271 -12.092 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.074 10.248 -13.317 1.00 0.00 H new ATOM 873 N ILE A 51 6.566 10.600 -10.237 1.00 0.00 N ATOM 874 CA ILE A 51 6.488 11.955 -9.662 1.00 0.00 C ATOM 875 C ILE A 51 7.757 12.367 -8.884 1.00 0.00 C ATOM 876 O ILE A 51 7.980 13.554 -8.639 1.00 0.00 O ATOM 877 CB ILE A 51 5.176 12.054 -8.829 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.952 12.061 -9.778 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.105 13.272 -7.890 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.617 11.764 -9.080 1.00 0.00 C ATOM 0 H ILE A 51 6.234 9.888 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 51 6.448 12.687 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 51 5.169 11.176 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.887 13.035 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.111 11.323 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.158 13.260 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.929 13.231 -7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.177 14.188 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.810 11.787 -9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.659 10.777 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.432 12.516 -8.313 1.00 0.00 H new ATOM 892 N ASN A 52 8.637 11.416 -8.564 1.00 0.00 N ATOM 893 CA ASN A 52 9.789 11.601 -7.664 1.00 0.00 C ATOM 894 C ASN A 52 11.165 11.432 -8.363 1.00 0.00 C ATOM 895 O ASN A 52 12.168 11.109 -7.720 1.00 0.00 O ATOM 896 CB ASN A 52 9.589 10.697 -6.428 1.00 0.00 C ATOM 897 CG ASN A 52 10.518 11.023 -5.262 1.00 0.00 C ATOM 898 OD1 ASN A 52 10.996 12.136 -5.086 1.00 0.00 O ATOM 899 ND2 ASN A 52 10.790 10.065 -4.404 1.00 0.00 N ATOM 0 H ASN A 52 8.570 10.467 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 52 9.821 12.639 -7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.556 10.784 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.742 9.659 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.393 10.254 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.398 9.133 -4.539 1.00 0.00 H new ATOM 967 N LEU B 4 -7.095 -4.005 12.400 1.00 0.00 N ATOM 968 CA LEU B 4 -8.103 -3.261 11.622 1.00 0.00 C ATOM 969 C LEU B 4 -8.090 -1.738 11.830 1.00 0.00 C ATOM 970 O LEU B 4 -7.809 -1.015 10.872 1.00 0.00 O ATOM 971 CB LEU B 4 -9.497 -3.905 11.777 1.00 0.00 C ATOM 972 CG LEU B 4 -10.003 -4.032 13.231 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.344 -3.325 13.421 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.162 -5.496 13.643 1.00 0.00 C ATOM 0 HA LEU B 4 -7.813 -3.356 10.575 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.217 -3.317 11.208 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.473 -4.898 11.329 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.250 -3.558 13.861 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.670 -3.435 14.455 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.234 -2.266 13.186 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.086 -3.769 12.758 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.519 -5.548 14.671 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.881 -5.983 12.984 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -9.199 -6.002 13.568 1.00 0.00 H new ATOM 986 N ARG B 5 -8.293 -1.227 13.054 1.00 0.00 N ATOM 987 CA ARG B 5 -8.126 0.215 13.344 1.00 0.00 C ATOM 988 C ARG B 5 -6.699 0.693 13.078 1.00 0.00 C ATOM 989 O ARG B 5 -6.512 1.809 12.600 1.00 0.00 O ATOM 990 CB ARG B 5 -8.549 0.549 14.786 1.00 0.00 C ATOM 991 CG ARG B 5 -10.077 0.599 14.943 1.00 0.00 C ATOM 992 CD ARG B 5 -10.456 1.137 16.331 1.00 0.00 C ATOM 993 NE ARG B 5 -11.903 1.413 16.444 1.00 0.00 N ATOM 994 CZ ARG B 5 -12.545 2.500 16.049 1.00 0.00 C ATOM 995 NH1 ARG B 5 -11.950 3.474 15.417 1.00 0.00 N ATOM 996 NH2 ARG B 5 -13.818 2.637 16.285 1.00 0.00 N ATOM 0 H ARG B 5 -8.573 -1.785 13.861 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.785 0.751 12.661 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -8.139 -0.198 15.466 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -8.124 1.510 15.075 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -10.508 1.235 14.170 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.496 -0.398 14.806 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.165 0.413 17.092 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.896 2.051 16.530 1.00 0.00 H new ATOM 0 HE ARG B 5 -12.471 0.683 16.875 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -10.953 3.414 15.210 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.482 4.296 15.130 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -14.327 1.903 16.778 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.306 3.478 15.977 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.713 -0.172 13.320 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.289 0.064 13.043 1.00 0.00 C ATOM 1012 C GLU B 6 -4.044 0.503 11.585 1.00 0.00 C ATOM 1013 O GLU B 6 -3.388 1.513 11.322 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.513 -1.228 13.388 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.994 -1.027 13.475 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.583 -0.257 14.748 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.527 0.996 14.718 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.309 -0.903 15.789 1.00 0.00 O ATOM 0 H GLU B 6 -5.887 -1.090 13.729 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.932 0.888 13.661 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.875 -1.616 14.340 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.729 -1.984 12.633 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.499 -1.998 13.463 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.650 -0.483 12.596 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.633 -0.234 10.640 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.564 0.013 9.205 1.00 0.00 C ATOM 1027 C LEU B 7 -5.338 1.271 8.794 1.00 0.00 C ATOM 1028 O LEU B 7 -4.769 2.148 8.149 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.097 -1.242 8.487 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.026 -2.339 8.397 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.641 -2.988 9.727 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.472 -3.441 7.449 1.00 0.00 C ATOM 0 H LEU B 7 -5.195 -1.054 10.868 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.530 0.201 8.917 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -5.967 -1.625 9.020 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.430 -0.974 7.484 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.141 -1.818 8.032 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.879 -3.748 9.554 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.248 -2.228 10.403 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.521 -3.451 10.174 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.701 -4.210 7.397 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.400 -3.881 7.814 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.635 -3.023 6.456 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.603 1.379 9.216 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.511 2.518 8.985 1.00 0.00 C ATOM 1046 C TYR B 8 -6.878 3.857 9.382 1.00 0.00 C ATOM 1047 O TYR B 8 -7.011 4.843 8.658 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.768 2.269 9.849 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.134 2.662 9.309 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.341 3.895 8.660 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.235 1.814 9.556 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.636 4.273 8.256 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.533 2.189 9.154 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.735 3.422 8.498 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.982 3.809 8.116 1.00 0.00 O ATOM 0 H TYR B 8 -7.048 0.637 9.757 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.746 2.584 7.923 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.801 1.204 10.079 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.626 2.795 10.793 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.505 4.552 8.472 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.082 0.870 10.057 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.789 5.219 7.758 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.370 1.535 9.347 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.628 3.111 8.353 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.156 3.897 10.508 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.470 5.112 10.979 1.00 0.00 C ATOM 1067 C LYS B 9 -4.432 5.629 9.996 1.00 0.00 C ATOM 1068 O LYS B 9 -4.489 6.790 9.612 1.00 0.00 O ATOM 1069 CB LYS B 9 -4.826 4.873 12.365 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.167 5.944 13.410 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.529 5.693 14.073 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.734 6.700 15.212 1.00 0.00 C ATOM 1073 NZ LYS B 9 -7.944 6.389 16.016 1.00 0.00 N ATOM 0 H LYS B 9 -6.029 3.091 11.120 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.235 5.884 11.064 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.147 3.901 12.739 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -3.743 4.828 12.247 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.390 5.964 14.175 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -5.171 6.925 12.935 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.328 5.791 13.338 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -6.576 4.675 14.460 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -5.857 6.698 15.860 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.822 7.704 14.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -8.047 7.093 16.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -8.784 6.415 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -7.849 5.441 16.433 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.511 4.779 9.554 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.486 5.128 8.578 1.00 0.00 C ATOM 1089 C LEU B 10 -3.091 5.418 7.194 1.00 0.00 C ATOM 1090 O LEU B 10 -2.694 6.375 6.527 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.414 4.027 8.573 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.533 4.119 9.838 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.137 2.787 10.125 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.547 5.191 9.693 1.00 0.00 C ATOM 0 H LEU B 10 -3.455 3.811 9.870 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.001 6.062 8.862 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.891 3.048 8.526 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.792 4.122 7.683 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.191 4.387 10.664 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.753 2.875 11.020 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.624 2.023 10.282 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.765 2.506 9.279 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.148 5.228 10.602 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.187 4.950 8.844 1.00 0.00 H new ATOM 0 HD23 LEU B 10 0.077 6.161 9.529 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.137 4.676 6.826 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.047 4.982 5.716 1.00 0.00 C ATOM 1108 C GLU B 11 -5.665 6.397 5.813 1.00 0.00 C ATOM 1109 O GLU B 11 -5.789 7.057 4.779 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.103 3.847 5.636 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.727 2.692 4.687 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.806 3.026 3.191 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.014 3.742 2.558 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.565 2.500 2.352 1.00 0.00 O ATOM 0 H GLU B 11 -4.385 3.813 7.310 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.487 5.013 4.781 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.260 3.443 6.636 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.052 4.273 5.312 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.712 2.368 4.918 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.385 1.847 4.890 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.965 6.933 7.011 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.480 8.296 7.171 1.00 0.00 C ATOM 1123 C GLN B 12 -5.425 9.380 7.432 1.00 0.00 C ATOM 1124 O GLN B 12 -5.651 10.545 7.109 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.559 8.290 8.252 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.815 7.600 7.709 1.00 0.00 C ATOM 1127 CD GLN B 12 -9.971 7.601 8.708 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.821 7.308 9.888 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.170 7.943 8.286 1.00 0.00 N ATOM 0 H GLN B 12 -5.855 6.430 7.891 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.897 8.582 6.205 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.199 7.769 9.139 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.793 9.311 8.555 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.132 8.100 6.794 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.572 6.571 7.443 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.315 8.190 7.307 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -11.954 7.961 8.938 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.245 9.019 7.923 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.102 9.937 8.015 1.00 0.00 C ATOM 1140 C GLN B 13 -2.576 10.318 6.630 1.00 0.00 C ATOM 1141 O GLN B 13 -2.241 11.483 6.416 1.00 0.00 O ATOM 1142 CB GLN B 13 -1.975 9.314 8.859 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.290 9.202 10.362 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.111 10.515 11.126 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -2.600 11.573 10.748 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.408 10.507 12.240 1.00 0.00 N ATOM 0 H GLN B 13 -4.047 8.081 8.271 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.449 10.847 8.504 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.756 8.319 8.472 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.072 9.911 8.734 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.317 8.857 10.485 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -1.644 8.443 10.804 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -0.992 9.638 12.574 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.280 11.370 12.769 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.590 9.392 5.661 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.320 9.735 4.268 1.00 0.00 C ATOM 1157 C ALA B 14 -3.421 10.653 3.721 1.00 0.00 C ATOM 1158 O ALA B 14 -3.108 11.651 3.086 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.197 8.440 3.457 1.00 0.00 C ATOM 0 H ALA B 14 -2.785 8.404 5.821 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.382 10.284 4.190 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.995 8.682 2.414 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.380 7.838 3.855 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.128 7.878 3.525 1.00 0.00 H new ATOM 1165 N MET B 15 -4.696 10.379 4.025 1.00 0.00 N ATOM 1166 CA MET B 15 -5.849 11.194 3.592 1.00 0.00 C ATOM 1167 C MET B 15 -5.784 12.643 4.108 1.00 0.00 C ATOM 1168 O MET B 15 -6.043 13.575 3.348 1.00 0.00 O ATOM 1169 CB MET B 15 -7.156 10.516 4.039 1.00 0.00 C ATOM 1170 CG MET B 15 -8.425 11.295 3.661 1.00 0.00 C ATOM 1171 SD MET B 15 -9.717 10.286 2.897 1.00 0.00 S ATOM 1172 CE MET B 15 -8.951 10.155 1.263 1.00 0.00 C ATOM 0 H MET B 15 -4.965 9.572 4.588 1.00 0.00 H new ATOM 0 HA MET B 15 -5.818 11.255 2.504 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.207 9.521 3.596 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.133 10.383 5.121 1.00 0.00 H new ATOM 0 HG2 MET B 15 -8.830 11.765 4.558 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.154 12.098 2.975 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.543 9.488 0.636 1.00 0.00 H new ATOM 0 HE2 MET B 15 -8.906 11.142 0.802 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.942 9.756 1.365 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.396 12.860 5.369 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.174 14.203 5.929 1.00 0.00 C ATOM 1184 C LYS B 16 -3.986 14.914 5.303 1.00 0.00 C ATOM 1185 O LYS B 16 -4.092 16.097 4.976 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.017 14.092 7.443 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.396 13.849 8.073 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.313 13.750 9.594 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.732 13.570 10.145 1.00 0.00 C ATOM 1190 NZ LYS B 16 -7.743 13.459 11.627 1.00 0.00 N ATOM 0 H LYS B 16 -5.225 12.107 6.036 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.044 14.816 5.692 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -4.340 13.275 7.692 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.576 15.005 7.844 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.070 14.660 7.797 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.823 12.930 7.671 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -5.683 12.909 9.886 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.856 14.649 10.008 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.349 14.415 9.840 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.179 12.676 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -8.721 13.338 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.175 12.638 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -7.340 14.323 12.043 1.00 0.00 H new ATOM 1204 N LEU B 17 -2.892 14.191 5.056 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.782 14.731 4.269 1.00 0.00 C ATOM 1206 C LEU B 17 -2.220 15.124 2.852 1.00 0.00 C ATOM 1207 O LEU B 17 -1.921 16.227 2.414 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.602 13.740 4.278 1.00 0.00 C ATOM 1209 CG LEU B 17 0.596 14.347 5.023 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.664 13.289 5.245 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.240 15.514 4.267 1.00 0.00 C ATOM 0 H LEU B 17 -2.751 13.237 5.387 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.442 15.656 4.734 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.904 12.809 4.757 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.317 13.494 3.255 1.00 0.00 H new ATOM 0 HG LEU B 17 0.206 14.722 5.969 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.509 13.730 5.774 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.250 12.473 5.838 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.000 12.904 4.282 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.080 15.901 4.843 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.594 15.167 3.296 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.504 16.305 4.123 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.002 14.280 2.185 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.620 14.494 0.873 1.00 0.00 C ATOM 1225 C TYR B 18 -4.557 15.715 0.825 1.00 0.00 C ATOM 1226 O TYR B 18 -4.499 16.488 -0.134 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.357 13.206 0.448 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.528 12.237 -0.373 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.957 12.668 -1.585 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.328 10.912 0.060 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.118 11.812 -2.320 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.478 10.053 -0.661 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.847 10.514 -1.837 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.975 9.708 -2.496 1.00 0.00 O ATOM 0 H TYR B 18 -3.239 13.366 2.570 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.822 14.719 0.166 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.708 12.693 1.344 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.240 13.483 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.165 13.662 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.828 10.554 0.948 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.683 12.146 -3.250 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.309 9.044 -0.316 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.023 8.802 -2.125 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.385 15.934 1.856 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.282 17.102 1.971 1.00 0.00 C ATOM 1246 C ARG B 19 -5.514 18.429 1.966 1.00 0.00 C ATOM 1247 O ARG B 19 -5.903 19.368 1.276 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.147 16.949 3.238 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.263 18.003 3.330 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.075 17.834 4.622 1.00 0.00 C ATOM 1251 NE ARG B 19 -10.145 18.849 4.721 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.432 18.701 4.451 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.936 17.573 4.037 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -12.251 19.703 4.594 1.00 0.00 N ATOM 0 H ARG B 19 -5.455 15.296 2.649 1.00 0.00 H new ATOM 0 HA ARG B 19 -6.929 17.131 1.095 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.592 15.954 3.250 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -6.509 17.024 4.119 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -7.828 19.002 3.298 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.923 17.915 2.467 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.513 16.836 4.651 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.412 17.916 5.484 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.856 19.775 5.035 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.332 16.761 3.910 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.934 17.502 3.840 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -11.901 20.606 4.915 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -13.242 19.585 4.385 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.398 18.496 2.691 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.537 19.688 2.768 1.00 0.00 C ATOM 1270 C GLU B 20 -2.560 19.792 1.592 1.00 0.00 C ATOM 1271 O GLU B 20 -2.256 20.883 1.113 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.744 19.624 4.082 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.583 20.986 4.768 1.00 0.00 C ATOM 1274 CD GLU B 20 -3.901 21.481 5.397 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -4.196 21.118 6.562 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -4.641 22.249 4.737 1.00 0.00 O ATOM 0 H GLU B 20 -4.057 17.715 3.252 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.177 20.569 2.728 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.245 18.939 4.766 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.756 19.209 3.881 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.818 20.913 5.541 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.232 21.718 4.041 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.087 18.650 1.098 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.342 18.542 -0.154 1.00 0.00 C ATOM 1285 C ALA B 21 -2.144 19.116 -1.327 1.00 0.00 C ATOM 1286 O ALA B 21 -1.566 19.825 -2.139 1.00 0.00 O ATOM 1287 CB ALA B 21 -0.937 17.088 -0.416 1.00 0.00 C ATOM 0 H ALA B 21 -2.214 17.754 1.568 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.432 19.135 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.383 17.028 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.309 16.733 0.401 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.831 16.468 -0.482 1.00 0.00 H new ATOM 1293 N SER B 22 -3.465 18.907 -1.379 1.00 0.00 N ATOM 1294 CA SER B 22 -4.363 19.522 -2.370 1.00 0.00 C ATOM 1295 C SER B 22 -4.317 21.062 -2.357 1.00 0.00 C ATOM 1296 O SER B 22 -4.421 21.691 -3.412 1.00 0.00 O ATOM 1297 CB SER B 22 -5.798 19.030 -2.141 1.00 0.00 C ATOM 1298 OG SER B 22 -6.618 19.308 -3.265 1.00 0.00 O ATOM 0 H SER B 22 -3.951 18.295 -0.723 1.00 0.00 H new ATOM 0 HA SER B 22 -4.013 19.213 -3.355 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.792 17.957 -1.948 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.214 19.511 -1.256 1.00 0.00 H new ATOM 0 HG SER B 22 -7.527 18.984 -3.095 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.096 21.688 -1.192 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.937 23.146 -1.077 1.00 0.00 C ATOM 1306 C GLU B 23 -2.622 23.640 -1.705 1.00 0.00 C ATOM 1307 O GLU B 23 -2.617 24.611 -2.465 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.000 23.554 0.404 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.338 25.035 0.626 1.00 0.00 C ATOM 1310 CD GLU B 23 -5.778 25.382 0.194 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -6.730 25.123 0.971 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -5.969 25.929 -0.919 1.00 0.00 O ATOM 0 H GLU B 23 -4.022 21.197 -0.301 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.753 23.614 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.747 22.941 0.908 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.040 23.336 0.872 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.209 25.280 1.680 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.635 25.653 0.067 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.507 22.944 -1.435 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.209 23.202 -2.097 1.00 0.00 C ATOM 1321 C LYS B 24 -0.247 22.882 -3.600 1.00 0.00 C ATOM 1322 O LYS B 24 0.251 23.655 -4.419 1.00 0.00 O ATOM 1323 CB LYS B 24 0.931 22.413 -1.421 1.00 0.00 C ATOM 1324 CG LYS B 24 1.487 23.074 -0.144 1.00 0.00 C ATOM 1325 CD LYS B 24 0.801 22.686 1.173 1.00 0.00 C ATOM 1326 CE LYS B 24 1.130 21.240 1.570 1.00 0.00 C ATOM 1327 NZ LYS B 24 0.717 20.950 2.967 1.00 0.00 N ATOM 0 H LYS B 24 -1.475 22.186 -0.753 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.015 24.269 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.569 21.415 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.745 22.288 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.546 22.828 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.419 24.156 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS B 24 1.120 23.364 1.965 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -0.278 22.800 1.071 1.00 0.00 H new ATOM 0 HE2 LYS B 24 0.627 20.552 0.891 1.00 0.00 H new ATOM 0 HE3 LYS B 24 2.201 21.067 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 0.954 19.965 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 1.216 21.591 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -0.309 21.091 3.062 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.885 21.775 -3.967 1.00 0.00 N ATOM 1342 CA ALA B 25 -1.041 21.236 -5.319 1.00 0.00 C ATOM 1343 C ALA B 25 -2.184 21.903 -6.121 1.00 0.00 C ATOM 1344 O ALA B 25 -2.786 21.261 -6.984 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.245 19.717 -5.184 1.00 0.00 C ATOM 0 H ALA B 25 -1.343 21.183 -3.274 1.00 0.00 H new ATOM 0 HA ALA B 25 -0.144 21.457 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.366 19.277 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.377 19.276 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -2.137 19.521 -4.589 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.512 23.178 -5.850 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.603 23.915 -6.512 1.00 0.00 C ATOM 1353 C ARG B 26 -3.417 24.120 -8.026 1.00 0.00 C ATOM 1354 O ARG B 26 -4.374 24.472 -8.714 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.907 25.216 -5.738 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.751 26.211 -5.506 1.00 0.00 C ATOM 1357 CD ARG B 26 -2.123 26.731 -6.804 1.00 0.00 C ATOM 1358 NE ARG B 26 -1.512 28.064 -6.633 1.00 0.00 N ATOM 1359 CZ ARG B 26 -1.156 28.897 -7.597 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -1.272 28.593 -8.860 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -0.673 30.072 -7.311 1.00 0.00 N ATOM 0 H ARG B 26 -2.018 23.735 -5.153 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.488 23.281 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.699 25.743 -6.270 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -4.308 24.938 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -3.121 27.057 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -1.980 25.727 -4.907 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.365 26.027 -7.146 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -2.886 26.780 -7.581 1.00 0.00 H new ATOM 0 HE ARG B 26 -1.348 28.374 -5.675 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -1.649 27.685 -9.134 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -0.986 29.263 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -0.567 30.356 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -0.401 30.708 -8.061 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.209 23.893 -8.554 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.942 23.790 -9.993 1.00 0.00 C ATOM 1377 C ASN B 27 -2.771 22.632 -10.597 1.00 0.00 C ATOM 1378 O ASN B 27 -2.672 21.506 -10.100 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.428 23.581 -10.193 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.032 23.486 -11.660 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.501 22.636 -12.403 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.826 24.357 -12.136 1.00 0.00 N ATOM 0 H ASN B 27 -1.373 23.773 -7.982 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.238 24.703 -10.510 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.112 24.406 -9.729 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.121 22.670 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.097 24.321 -13.119 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.222 25.070 -11.523 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.565 22.856 -11.663 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.557 21.892 -12.135 1.00 0.00 C ATOM 1391 C PRO B 28 -3.958 20.594 -12.693 1.00 0.00 C ATOM 1392 O PRO B 28 -4.664 19.588 -12.745 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.392 22.640 -13.180 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.425 23.691 -13.715 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.603 24.058 -12.482 1.00 0.00 C ATOM 0 HA PRO B 28 -5.163 21.543 -11.299 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.739 21.974 -13.970 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.277 23.096 -12.736 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.799 23.294 -14.514 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.951 24.555 -14.121 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.598 24.374 -12.761 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.058 24.887 -11.940 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.668 20.570 -13.061 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.970 19.331 -13.435 1.00 0.00 C ATOM 1405 C GLU B 29 -1.936 18.353 -12.256 1.00 0.00 C ATOM 1406 O GLU B 29 -2.457 17.240 -12.323 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.556 19.684 -13.937 1.00 0.00 C ATOM 1408 CG GLU B 29 0.175 18.551 -14.675 1.00 0.00 C ATOM 1409 CD GLU B 29 0.742 17.441 -13.766 1.00 0.00 C ATOM 1410 OE1 GLU B 29 1.379 17.750 -12.729 1.00 0.00 O ATOM 1411 OE2 GLU B 29 0.605 16.245 -14.118 1.00 0.00 O ATOM 0 H GLU B 29 -2.082 21.404 -13.108 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.507 18.831 -14.241 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.628 20.544 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.049 19.991 -13.084 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.514 18.099 -15.389 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.994 18.982 -15.251 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.389 18.826 -11.136 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.257 18.084 -9.876 1.00 0.00 C ATOM 1420 C LYS B 30 -2.604 17.845 -9.203 1.00 0.00 C ATOM 1421 O LYS B 30 -2.872 16.720 -8.776 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.269 18.833 -8.960 1.00 0.00 C ATOM 1423 CG LYS B 30 0.563 17.892 -8.068 1.00 0.00 C ATOM 1424 CD LYS B 30 1.579 17.035 -8.850 1.00 0.00 C ATOM 1425 CE LYS B 30 2.680 17.883 -9.508 1.00 0.00 C ATOM 1426 NZ LYS B 30 3.233 17.228 -10.719 1.00 0.00 N ATOM 0 H LYS B 30 -1.011 19.771 -11.076 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.861 17.091 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.404 19.431 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.824 19.526 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.097 18.486 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.112 17.232 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.036 16.312 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.055 16.466 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.275 18.859 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.482 18.057 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.166 17.632 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.329 16.207 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.592 17.386 -11.522 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.490 18.847 -9.215 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.884 18.742 -8.745 1.00 0.00 C ATOM 1442 C LYS B 31 -5.700 17.658 -9.469 1.00 0.00 C ATOM 1443 O LYS B 31 -6.670 17.155 -8.910 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.566 20.128 -8.809 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.389 20.521 -7.568 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.504 19.523 -7.237 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.487 20.034 -6.174 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.422 21.060 -6.711 1.00 0.00 N ATOM 0 H LYS B 31 -3.256 19.778 -9.559 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.851 18.413 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.798 20.884 -8.968 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.221 20.151 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.722 20.606 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.828 21.505 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.055 19.290 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.056 18.592 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.060 19.195 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.928 20.457 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.065 21.373 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.879 21.874 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.976 20.651 -7.490 1.00 0.00 H new ATOM 1462 N SER B 32 -5.280 17.235 -10.662 1.00 0.00 N ATOM 1463 CA SER B 32 -5.909 16.150 -11.440 1.00 0.00 C ATOM 1464 C SER B 32 -5.110 14.838 -11.440 1.00 0.00 C ATOM 1465 O SER B 32 -5.475 13.888 -12.135 1.00 0.00 O ATOM 1466 CB SER B 32 -6.183 16.608 -12.881 1.00 0.00 C ATOM 1467 OG SER B 32 -6.919 17.821 -12.903 1.00 0.00 O ATOM 0 H SER B 32 -4.472 17.644 -11.132 1.00 0.00 H new ATOM 0 HA SER B 32 -6.851 15.930 -10.937 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.239 16.743 -13.408 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.737 15.834 -13.412 1.00 0.00 H new ATOM 0 HG SER B 32 -6.300 18.580 -12.870 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.060 14.751 -10.616 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.239 13.545 -10.406 1.00 0.00 C ATOM 1475 C VAL B 33 -3.392 13.027 -8.980 1.00 0.00 C ATOM 1476 O VAL B 33 -3.644 11.833 -8.811 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.764 13.813 -10.777 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.802 12.715 -10.304 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.620 13.910 -12.300 1.00 0.00 C ATOM 0 H VAL B 33 -3.745 15.543 -10.056 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.598 12.760 -11.071 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.500 14.744 -10.275 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.216 12.971 -10.600 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.854 12.629 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.084 11.765 -10.757 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.577 14.099 -12.556 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.941 12.974 -12.756 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.239 14.726 -12.673 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.361 13.888 -7.948 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.667 13.436 -6.591 1.00 0.00 C ATOM 1491 C LEU B 34 -5.170 13.116 -6.407 1.00 0.00 C ATOM 1492 O LEU B 34 -5.530 12.380 -5.489 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.022 14.394 -5.567 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.957 15.453 -4.986 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.311 16.182 -3.807 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.405 16.522 -5.976 1.00 0.00 C ATOM 0 H LEU B 34 -3.132 14.879 -8.029 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.206 12.468 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.615 13.803 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.181 14.898 -6.044 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.832 14.880 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.003 16.929 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.072 15.464 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.397 16.674 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.065 17.229 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.533 17.050 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.938 16.052 -6.803 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.046 13.596 -7.305 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.489 13.330 -7.277 1.00 0.00 C ATOM 1510 C GLN B 35 -7.835 11.841 -7.440 1.00 0.00 C ATOM 1511 O GLN B 35 -8.764 11.349 -6.800 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.182 14.149 -8.382 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.311 15.021 -7.815 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.051 15.783 -8.913 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -11.197 15.502 -9.244 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -9.430 16.769 -9.524 1.00 0.00 N ATOM 0 H GLN B 35 -5.763 14.190 -8.084 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.849 13.629 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.448 14.782 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.586 13.474 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.016 14.393 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -8.897 15.730 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -8.476 17.013 -9.258 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -9.903 17.289 -10.263 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.084 11.107 -8.274 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.313 9.668 -8.499 1.00 0.00 C ATOM 1527 C LYS B 36 -6.964 8.836 -7.270 1.00 0.00 C ATOM 1528 O LYS B 36 -7.716 7.933 -6.907 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.504 9.178 -9.713 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.970 9.807 -11.035 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.142 9.271 -12.212 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.645 9.873 -13.529 1.00 0.00 C ATOM 1533 NZ LYS B 36 -5.871 9.364 -14.693 1.00 0.00 N ATOM 0 H LYS B 36 -6.305 11.489 -8.810 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.377 9.537 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.450 9.409 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.586 8.093 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -8.025 9.587 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -6.875 10.892 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.090 9.518 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -6.212 8.184 -12.250 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -7.700 9.634 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -6.568 10.959 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -6.238 9.792 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -4.868 9.614 -14.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -5.966 8.330 -14.747 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.871 9.186 -6.589 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.519 8.587 -5.298 1.00 0.00 C ATOM 1549 C ILE B 37 -6.573 8.961 -4.247 1.00 0.00 C ATOM 1550 O ILE B 37 -7.071 8.073 -3.567 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.113 9.037 -4.845 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.997 8.751 -5.867 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.840 8.410 -3.467 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.610 9.301 -5.514 1.00 0.00 C ATOM 0 H ILE B 37 -5.207 9.889 -6.914 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.500 7.503 -5.410 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.103 10.124 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.917 7.672 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.297 9.166 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.851 8.711 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.593 8.751 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.882 7.324 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.904 9.041 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.662 10.385 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.276 8.868 -4.571 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.986 10.230 -4.147 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.069 10.649 -3.244 1.00 0.00 C ATOM 1568 C LEU B 38 -9.354 9.823 -3.442 1.00 0.00 C ATOM 1569 O LEU B 38 -9.958 9.396 -2.455 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.352 12.154 -3.426 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.450 13.083 -2.595 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.628 14.530 -3.053 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.816 13.008 -1.109 1.00 0.00 C ATOM 0 H LEU B 38 -6.581 10.995 -4.687 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.735 10.465 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.237 12.406 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.392 12.349 -3.163 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.418 12.761 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.986 15.181 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.357 14.614 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.668 14.828 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.166 13.673 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.854 13.313 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.689 11.985 -0.754 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.754 9.545 -4.689 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.937 8.721 -4.962 1.00 0.00 C ATOM 1587 C GLU B 39 -10.739 7.243 -4.597 1.00 0.00 C ATOM 1588 O GLU B 39 -11.621 6.631 -3.994 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.342 8.895 -6.437 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.652 8.179 -6.788 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.070 8.473 -8.242 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -12.672 7.714 -9.160 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.810 9.459 -8.480 1.00 0.00 O ATOM 0 H GLU B 39 -9.275 9.879 -5.525 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.746 9.068 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.445 9.958 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.544 8.514 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.531 7.104 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.440 8.501 -6.107 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.565 6.683 -4.886 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.164 5.350 -4.471 1.00 0.00 C ATOM 1602 C ASP B 40 -9.132 5.200 -2.941 1.00 0.00 C ATOM 1603 O ASP B 40 -9.570 4.180 -2.414 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.773 5.110 -5.065 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.743 4.586 -6.511 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -8.801 4.365 -7.148 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.606 4.377 -6.996 1.00 0.00 O ATOM 0 H ASP B 40 -8.849 7.163 -5.432 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.887 4.616 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.216 6.046 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.245 4.398 -4.430 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.665 6.213 -2.201 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.589 6.132 -0.736 1.00 0.00 C ATOM 1614 C GLU B 41 -9.977 6.249 -0.099 1.00 0.00 C ATOM 1615 O GLU B 41 -10.276 5.529 0.850 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.661 7.197 -0.122 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.162 7.168 -0.468 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.429 5.838 -0.288 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.962 4.832 0.248 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.251 5.749 -0.719 1.00 0.00 O ATOM 0 H GLU B 41 -8.335 7.096 -2.590 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.166 5.151 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -8.046 8.175 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.750 7.126 0.962 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.049 7.478 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.659 7.916 0.145 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.859 7.088 -0.647 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.270 7.122 -0.244 1.00 0.00 C ATOM 1629 C GLU B 42 -12.957 5.761 -0.472 1.00 0.00 C ATOM 1630 O GLU B 42 -13.738 5.312 0.373 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.985 8.269 -0.975 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.400 8.509 -0.434 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.027 9.768 -1.063 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.643 9.667 -2.152 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.920 10.868 -0.467 1.00 0.00 O ATOM 0 H GLU B 42 -10.620 7.759 -1.377 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.330 7.312 0.828 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.399 9.183 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.039 8.041 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -15.026 7.642 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.365 8.619 0.650 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.606 5.057 -1.560 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.044 3.677 -1.820 1.00 0.00 C ATOM 1644 C LYS B 43 -12.538 2.696 -0.755 1.00 0.00 C ATOM 1645 O LYS B 43 -13.321 1.888 -0.261 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.614 3.233 -3.235 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.750 2.565 -4.024 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.805 3.574 -4.509 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.884 2.850 -5.324 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.904 3.797 -5.848 1.00 0.00 N ATOM 0 H LYS B 43 -12.004 5.434 -2.292 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.133 3.664 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.255 4.100 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.778 2.539 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.332 2.041 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.231 1.815 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.259 4.078 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.332 4.344 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -15.418 2.320 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.370 2.100 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -17.617 3.272 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.366 4.285 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -16.444 4.497 -6.464 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.272 2.780 -0.334 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.718 1.953 0.715 1.00 0.00 C ATOM 1666 C HIS B 44 -11.400 2.199 2.056 1.00 0.00 C ATOM 1667 O HIS B 44 -11.787 1.240 2.713 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.228 2.267 0.811 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.393 1.983 -0.408 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.038 2.329 -0.554 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.830 1.363 -1.541 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.719 1.914 -1.805 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.777 1.351 -2.412 1.00 0.00 N ATOM 0 H HIS B 44 -10.601 3.440 -0.727 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.881 0.903 0.472 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.119 3.323 1.058 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.815 1.700 1.645 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.432 2.788 0.127 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.816 0.960 -1.716 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.743 2.022 -2.254 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.596 3.463 2.440 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.347 3.845 3.643 1.00 0.00 C ATOM 1683 C ILE B 45 -13.797 3.308 3.621 1.00 0.00 C ATOM 1684 O ILE B 45 -14.266 2.806 4.642 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.227 5.379 3.855 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.996 5.746 4.719 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.462 5.988 4.535 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.622 5.503 4.083 1.00 0.00 C ATOM 0 H ILE B 45 -11.234 4.261 1.919 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.908 3.367 4.519 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.127 5.790 2.851 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.068 6.800 4.986 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -11.048 5.178 5.648 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.318 7.062 4.656 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.343 5.807 3.919 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.602 5.528 5.513 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.840 5.798 4.783 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.514 4.445 3.843 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.534 6.093 3.171 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.495 3.319 2.478 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.820 2.687 2.338 1.00 0.00 C ATOM 1702 C GLU B 46 -15.802 1.181 2.652 1.00 0.00 C ATOM 1703 O GLU B 46 -16.675 0.676 3.364 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.365 2.909 0.915 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.171 4.199 0.747 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.560 4.096 1.409 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.480 3.492 0.805 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.746 4.628 2.530 1.00 0.00 O ATOM 0 H GLU B 46 -14.161 3.765 1.624 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.472 3.163 3.071 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.529 2.922 0.216 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.995 2.062 0.643 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.620 5.031 1.185 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.289 4.418 -0.314 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.801 0.456 2.152 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.662 -0.981 2.365 1.00 0.00 C ATOM 1717 C TRP B 47 -14.192 -1.304 3.792 1.00 0.00 C ATOM 1718 O TRP B 47 -14.696 -2.229 4.423 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.660 -1.531 1.345 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.868 -1.238 -0.116 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.002 -0.826 -0.730 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.861 -1.294 -1.168 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.756 -0.626 -2.079 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.440 -0.884 -2.401 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.499 -1.637 -1.181 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.688 -0.802 -3.586 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.727 -1.566 -2.354 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.319 -1.133 -3.556 1.00 0.00 C ATOM 0 H TRP B 47 -14.056 0.857 1.581 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.637 -1.450 2.233 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.674 -1.156 1.618 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.633 -2.614 1.462 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.954 -0.676 -0.242 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.462 -0.325 -2.751 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.032 -1.965 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.154 -0.489 -4.508 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.683 -1.843 -2.333 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.724 -1.055 -4.454 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.273 -0.505 4.335 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.833 -0.547 5.729 1.00 0.00 C ATOM 1741 C LEU B 48 -14.008 -0.409 6.701 1.00 0.00 C ATOM 1742 O LEU B 48 -14.089 -1.152 7.676 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.799 0.573 5.935 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.381 0.185 5.495 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.498 1.429 5.410 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.729 -0.784 6.486 1.00 0.00 C ATOM 0 H LEU B 48 -12.797 0.217 3.795 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.380 -1.516 5.940 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -12.115 1.455 5.378 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.781 0.851 6.989 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.469 -0.297 4.521 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.494 1.142 5.097 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.919 2.125 4.685 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.450 1.909 6.388 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.726 -1.036 6.142 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.668 -0.314 7.468 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.328 -1.692 6.555 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.958 0.479 6.406 1.00 0.00 N ATOM 1759 CA GLU B 49 -16.207 0.600 7.169 1.00 0.00 C ATOM 1760 C GLU B 49 -17.087 -0.650 7.066 1.00 0.00 C ATOM 1761 O GLU B 49 -17.554 -1.157 8.087 1.00 0.00 O ATOM 1762 CB GLU B 49 -17.008 1.823 6.695 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.956 2.319 7.795 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.815 3.505 7.315 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -18.389 4.676 7.474 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -19.939 3.277 6.805 1.00 0.00 O ATOM 0 H GLU B 49 -14.886 1.137 5.630 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.921 0.720 8.214 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.324 2.623 6.412 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.582 1.564 5.805 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.606 1.503 8.110 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.376 2.620 8.667 1.00 0.00 H new ATOM 1773 N THR B 50 -17.288 -1.180 5.853 1.00 0.00 N ATOM 1774 CA THR B 50 -18.097 -2.404 5.658 1.00 0.00 C ATOM 1775 C THR B 50 -17.477 -3.659 6.299 1.00 0.00 C ATOM 1776 O THR B 50 -18.194 -4.614 6.609 1.00 0.00 O ATOM 1777 CB THR B 50 -18.481 -2.614 4.178 1.00 0.00 C ATOM 1778 OG1 THR B 50 -19.834 -3.017 4.092 1.00 0.00 O ATOM 1779 CG2 THR B 50 -17.670 -3.637 3.376 1.00 0.00 C ATOM 0 H THR B 50 -16.907 -0.788 4.992 1.00 0.00 H new ATOM 0 HA THR B 50 -19.026 -2.239 6.203 1.00 0.00 H new ATOM 0 HB THR B 50 -18.269 -1.642 3.732 1.00 0.00 H new ATOM 0 HG1 THR B 50 -20.077 -3.148 3.152 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.048 -3.681 2.355 1.00 0.00 H new ATOM 0 HG22 THR B 50 -16.621 -3.340 3.362 1.00 0.00 H new ATOM 0 HG23 THR B 50 -17.763 -4.619 3.840 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.161 -3.644 6.548 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.397 -4.711 7.220 1.00 0.00 C ATOM 1789 C ILE B 51 -15.260 -4.507 8.742 1.00 0.00 C ATOM 1790 O ILE B 51 -15.021 -5.462 9.485 1.00 0.00 O ATOM 1791 CB ILE B 51 -14.037 -4.897 6.490 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.216 -5.451 5.053 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -13.026 -5.778 7.246 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.750 -6.888 4.942 1.00 0.00 C ATOM 0 H ILE B 51 -15.572 -2.857 6.277 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.960 -5.641 7.142 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.622 -3.890 6.448 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.895 -4.791 4.513 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.253 -5.403 4.545 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.106 -5.855 6.667 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.808 -5.331 8.216 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.447 -6.773 7.391 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.833 -7.165 3.891 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.065 -7.571 5.444 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -15.732 -6.949 5.412 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.477 -3.287 9.230 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.458 -2.957 10.660 1.00 0.00 C ATOM 1808 C ASN B 52 -16.675 -3.555 11.407 1.00 0.00 C ATOM 1809 O ASN B 52 -17.794 -3.564 10.881 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.383 -1.426 10.819 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.154 -0.979 12.255 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.549 -1.666 13.067 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -15.626 0.191 12.622 1.00 0.00 N ATOM 0 H ASN B 52 -15.675 -2.483 8.634 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.576 -3.406 11.117 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.577 -1.042 10.194 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.309 -0.984 10.452 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -15.487 0.520 13.577 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.131 0.770 11.952 1.00 0.00 H new