USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 11 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0199 (180deg=-0.278) USER MOD Single : A 26 GLN : amide:sc= -0.0559 K(o=-0.056,f=-1.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.63) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.8!) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0878) USER MOD Single : B 10 ASN : amide:sc= -2.43 K(o=-2.4,f=-9.2!) USER MOD Single : B 12 THR OG1 : rot -46:sc= 1.11 USER MOD Single : B 13 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-10!) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3!) USER MOD Single : B 24 ASN : amide:sc= -3.91 K(o=-3.9,f=-14!) USER MOD Single : B 29 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.5) USER MOD Single : B 30 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.24) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 1.807 24.678 -2.825 1.00 0.00 C HETATM 2 O ACE A 2 1.280 25.671 -3.324 1.00 0.00 O HETATM 3 CH3 ACE A 2 2.263 23.510 -3.692 1.00 0.00 C HETATM 0 H1 ACE A 2 3.336 23.363 -3.570 1.00 0.00 H new HETATM 0 H2 ACE A 2 1.736 22.605 -3.389 1.00 0.00 H new HETATM 0 H3 ACE A 2 2.043 23.725 -4.738 1.00 0.00 H new ATOM 7 N CYS A 3 2.017 24.546 -1.518 1.00 0.00 N ATOM 8 CA CYS A 3 1.625 25.598 -0.585 1.00 0.00 C ATOM 9 C CYS A 3 2.556 25.611 0.624 1.00 0.00 C ATOM 10 O CYS A 3 3.345 26.537 0.809 1.00 0.00 O ATOM 11 CB CYS A 3 0.188 25.380 -0.104 1.00 0.00 C ATOM 12 SG CYS A 3 -0.963 26.101 -1.300 1.00 0.00 S ATOM 0 H CYS A 3 2.451 23.731 -1.085 1.00 0.00 H new ATOM 0 HA CYS A 3 1.692 26.553 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.011 24.315 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.047 25.839 0.875 1.00 0.00 H new ATOM 17 N GLY A 4 2.454 24.568 1.444 1.00 0.00 N ATOM 18 CA GLY A 4 3.292 24.466 2.636 1.00 0.00 C ATOM 19 C GLY A 4 4.374 23.408 2.446 1.00 0.00 C ATOM 20 O GLY A 4 5.380 23.641 1.777 1.00 0.00 O ATOM 0 H GLY A 4 1.808 23.790 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.753 25.431 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.676 24.212 3.499 1.00 0.00 H new ATOM 24 N GLY A 5 4.154 22.240 3.044 1.00 0.00 N ATOM 25 CA GLY A 5 5.117 21.147 2.937 1.00 0.00 C ATOM 26 C GLY A 5 4.429 19.866 2.478 1.00 0.00 C ATOM 27 O GLY A 5 4.466 18.844 3.164 1.00 0.00 O ATOM 0 H GLY A 5 3.327 22.027 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.903 21.416 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.597 20.983 3.902 1.00 0.00 H new ATOM 31 N VAL A 6 3.800 19.932 1.308 1.00 0.00 N ATOM 32 CA VAL A 6 3.102 18.771 0.762 1.00 0.00 C ATOM 33 C VAL A 6 4.103 17.768 0.197 1.00 0.00 C ATOM 34 O VAL A 6 3.880 16.557 0.235 1.00 0.00 O ATOM 35 CB VAL A 6 2.139 19.197 -0.351 1.00 0.00 C ATOM 36 CG1 VAL A 6 1.282 18.001 -0.771 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.229 20.316 0.162 1.00 0.00 C ATOM 0 H VAL A 6 3.759 20.768 0.724 1.00 0.00 H new ATOM 0 HA VAL A 6 2.537 18.307 1.570 1.00 0.00 H new ATOM 0 HB VAL A 6 2.711 19.555 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.597 18.304 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.927 17.201 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.711 17.644 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.544 20.619 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.658 19.957 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.836 21.170 0.463 1.00 0.00 H new ATOM 47 N GLN A 7 5.211 18.285 -0.330 1.00 0.00 N ATOM 48 CA GLN A 7 6.243 17.427 -0.903 1.00 0.00 C ATOM 49 C GLN A 7 6.815 16.494 0.161 1.00 0.00 C ATOM 50 O GLN A 7 7.178 15.353 -0.122 1.00 0.00 O ATOM 51 CB GLN A 7 7.379 18.269 -1.488 1.00 0.00 C ATOM 52 CG GLN A 7 6.966 18.796 -2.865 1.00 0.00 C ATOM 53 CD GLN A 7 7.948 19.872 -3.313 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.150 19.765 -3.073 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.504 20.916 -3.958 1.00 0.00 N ATOM 0 H GLN A 7 5.415 19.283 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 7 5.784 16.837 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.610 19.101 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.285 17.668 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.949 17.981 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.957 19.205 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.508 21.006 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.153 21.642 -4.262 1.00 0.00 H new ATOM 64 N ALA A 8 6.889 16.995 1.391 1.00 0.00 N ATOM 65 CA ALA A 8 7.416 16.201 2.495 1.00 0.00 C ATOM 66 C ALA A 8 6.358 15.227 3.004 1.00 0.00 C ATOM 67 O ALA A 8 6.634 14.051 3.237 1.00 0.00 O ATOM 68 CB ALA A 8 7.853 17.107 3.647 1.00 0.00 C ATOM 0 H ALA A 8 6.594 17.937 1.646 1.00 0.00 H new ATOM 0 HA ALA A 8 8.277 15.643 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.243 16.497 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.630 17.788 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.998 17.682 4.002 1.00 0.00 H new ATOM 74 N GLU A 9 5.139 15.733 3.171 1.00 0.00 N ATOM 75 CA GLU A 9 4.039 14.901 3.652 1.00 0.00 C ATOM 76 C GLU A 9 3.757 13.773 2.666 1.00 0.00 C ATOM 77 O GLU A 9 3.368 12.671 3.054 1.00 0.00 O ATOM 78 CB GLU A 9 2.771 15.739 3.829 1.00 0.00 C ATOM 79 CG GLU A 9 1.905 15.129 4.931 1.00 0.00 C ATOM 80 CD GLU A 9 0.911 16.170 5.434 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.006 16.491 4.696 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.082 16.632 6.550 1.00 0.00 O ATOM 0 H GLU A 9 4.889 16.704 2.983 1.00 0.00 H new ATOM 0 HA GLU A 9 4.330 14.479 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.034 16.765 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.214 15.776 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.373 14.258 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.533 14.784 5.752 1.00 0.00 H new ATOM 89 N GLU A 10 3.954 14.061 1.383 1.00 0.00 N ATOM 90 CA GLU A 10 3.718 13.064 0.342 1.00 0.00 C ATOM 91 C GLU A 10 4.879 12.076 0.277 1.00 0.00 C ATOM 92 O GLU A 10 4.696 10.901 -0.046 1.00 0.00 O ATOM 93 CB GLU A 10 3.561 13.739 -1.023 1.00 0.00 C ATOM 94 CG GLU A 10 2.583 12.935 -1.882 1.00 0.00 C ATOM 95 CD GLU A 10 2.741 13.338 -3.343 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.286 14.414 -3.693 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.315 12.565 -4.092 1.00 0.00 O ATOM 0 H GLU A 10 4.273 14.967 1.041 1.00 0.00 H new ATOM 0 HA GLU A 10 2.800 12.531 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.197 14.758 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.528 13.806 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.772 11.868 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.560 13.115 -1.552 1.00 0.00 H new ATOM 104 N GLN A 11 6.078 12.564 0.585 1.00 0.00 N ATOM 105 CA GLN A 11 7.268 11.715 0.556 1.00 0.00 C ATOM 106 C GLN A 11 7.122 10.553 1.534 1.00 0.00 C ATOM 107 O GLN A 11 7.591 9.443 1.275 1.00 0.00 O ATOM 108 CB GLN A 11 8.511 12.525 0.929 1.00 0.00 C ATOM 109 CG GLN A 11 9.765 11.699 0.639 1.00 0.00 C ATOM 110 CD GLN A 11 10.157 11.864 -0.825 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.326 11.706 -1.718 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.389 12.175 -1.127 1.00 0.00 N ATOM 0 H GLN A 11 6.252 13.532 0.855 1.00 0.00 H new ATOM 0 HA GLN A 11 7.377 11.325 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.536 13.455 0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.478 12.797 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.583 12.021 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.580 10.648 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.078 12.306 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.662 12.287 -2.103 1.00 0.00 H new ATOM 121 N LYS A 12 6.466 10.818 2.661 1.00 0.00 N ATOM 122 CA LYS A 12 6.263 9.783 3.672 1.00 0.00 C ATOM 123 C LYS A 12 5.072 8.900 3.307 1.00 0.00 C ATOM 124 O LYS A 12 5.031 7.720 3.654 1.00 0.00 O ATOM 125 CB LYS A 12 6.023 10.411 5.048 1.00 0.00 C ATOM 126 CG LYS A 12 4.843 11.383 4.977 1.00 0.00 C ATOM 127 CD LYS A 12 4.393 11.744 6.394 1.00 0.00 C ATOM 128 CE LYS A 12 5.449 12.630 7.056 1.00 0.00 C ATOM 129 NZ LYS A 12 4.872 13.268 8.271 1.00 0.00 N ATOM 0 H LYS A 12 6.070 11.728 2.896 1.00 0.00 H new ATOM 0 HA LYS A 12 7.165 9.172 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.820 9.632 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.919 10.936 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.132 12.284 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.018 10.931 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.436 12.264 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.244 10.838 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.322 12.035 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.788 13.395 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.590 13.871 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.052 13.849 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.570 12.531 8.940 1.00 0.00 H new ATOM 143 N LEU A 13 4.104 9.482 2.604 1.00 0.00 N ATOM 144 CA LEU A 13 2.918 8.734 2.197 1.00 0.00 C ATOM 145 C LEU A 13 3.248 7.808 1.031 1.00 0.00 C ATOM 146 O LEU A 13 2.841 6.646 1.008 1.00 0.00 O ATOM 147 CB LEU A 13 1.797 9.687 1.776 1.00 0.00 C ATOM 148 CG LEU A 13 1.039 10.164 3.015 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.449 11.550 2.753 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.093 9.181 3.329 1.00 0.00 C ATOM 0 H LEU A 13 4.116 10.458 2.307 1.00 0.00 H new ATOM 0 HA LEU A 13 2.586 8.142 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.213 10.540 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.115 9.183 1.091 1.00 0.00 H new ATOM 0 HG LEU A 13 1.724 10.215 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.091 11.889 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.253 12.251 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.236 11.500 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.634 9.520 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.777 9.131 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.325 8.192 3.517 1.00 0.00 H new ATOM 162 N ILE A 14 3.993 8.337 0.064 1.00 0.00 N ATOM 163 CA ILE A 14 4.380 7.550 -1.104 1.00 0.00 C ATOM 164 C ILE A 14 5.244 6.366 -0.683 1.00 0.00 C ATOM 165 O ILE A 14 4.995 5.226 -1.078 1.00 0.00 O ATOM 166 CB ILE A 14 5.162 8.420 -2.097 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.310 9.626 -2.497 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.506 7.605 -3.349 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.217 10.834 -2.741 1.00 0.00 C ATOM 0 H ILE A 14 4.338 9.297 0.065 1.00 0.00 H new ATOM 0 HA ILE A 14 3.473 7.182 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 14 6.084 8.760 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.739 9.399 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.589 9.852 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.061 8.230 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.115 6.746 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.587 7.259 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.610 11.693 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.768 11.065 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.920 10.605 -3.542 1.00 0.00 H new ATOM 181 N SER A 15 6.269 6.649 0.115 1.00 0.00 N ATOM 182 CA SER A 15 7.177 5.603 0.580 1.00 0.00 C ATOM 183 C SER A 15 6.412 4.511 1.326 1.00 0.00 C ATOM 184 O SER A 15 6.718 3.326 1.206 1.00 0.00 O ATOM 185 CB SER A 15 8.240 6.189 1.508 1.00 0.00 C ATOM 186 OG SER A 15 9.292 5.246 1.672 1.00 0.00 O ATOM 0 H SER A 15 6.492 7.586 0.452 1.00 0.00 H new ATOM 0 HA SER A 15 7.658 5.169 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.630 7.118 1.092 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.800 6.433 2.475 1.00 0.00 H new ATOM 0 HG SER A 15 9.976 5.619 2.266 1.00 0.00 H new ATOM 192 N GLU A 16 5.409 4.928 2.095 1.00 0.00 N ATOM 193 CA GLU A 16 4.601 3.978 2.854 1.00 0.00 C ATOM 194 C GLU A 16 3.813 3.079 1.906 1.00 0.00 C ATOM 195 O GLU A 16 3.725 1.867 2.101 1.00 0.00 O ATOM 196 CB GLU A 16 3.625 4.716 3.771 1.00 0.00 C ATOM 197 CG GLU A 16 3.311 3.846 4.990 1.00 0.00 C ATOM 198 CD GLU A 16 2.230 4.519 5.831 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.340 5.712 6.055 1.00 0.00 O ATOM 200 OE2 GLU A 16 1.309 3.830 6.237 1.00 0.00 O ATOM 0 H GLU A 16 5.139 5.905 2.208 1.00 0.00 H new ATOM 0 HA GLU A 16 5.273 3.370 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.056 5.665 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.707 4.948 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.976 2.860 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.211 3.698 5.586 1.00 0.00 H new ATOM 207 N GLU A 17 3.243 3.693 0.871 1.00 0.00 N ATOM 208 CA GLU A 17 2.463 2.945 -0.112 1.00 0.00 C ATOM 209 C GLU A 17 3.344 1.916 -0.812 1.00 0.00 C ATOM 210 O GLU A 17 2.919 0.792 -1.077 1.00 0.00 O ATOM 211 CB GLU A 17 1.871 3.891 -1.158 1.00 0.00 C ATOM 212 CG GLU A 17 0.641 4.590 -0.576 1.00 0.00 C ATOM 213 CD GLU A 17 -0.141 5.262 -1.699 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.244 4.668 -2.759 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.626 6.360 -1.482 1.00 0.00 O ATOM 0 H GLU A 17 3.305 4.695 0.692 1.00 0.00 H new ATOM 0 HA GLU A 17 1.654 2.436 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.614 4.630 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.596 3.334 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.009 3.867 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.946 5.331 0.163 1.00 0.00 H new ATOM 222 N ASP A 18 4.578 2.316 -1.108 1.00 0.00 N ATOM 223 CA ASP A 18 5.520 1.420 -1.778 1.00 0.00 C ATOM 224 C ASP A 18 5.779 0.185 -0.920 1.00 0.00 C ATOM 225 O ASP A 18 5.982 -0.914 -1.433 1.00 0.00 O ATOM 226 CB ASP A 18 6.847 2.135 -2.038 1.00 0.00 C ATOM 227 CG ASP A 18 7.719 1.272 -2.943 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.384 1.141 -4.108 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.713 0.754 -2.457 1.00 0.00 O ATOM 0 H ASP A 18 4.947 3.243 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 18 5.081 1.117 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.666 3.103 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.360 2.327 -1.096 1.00 0.00 H new ATOM 234 N LEU A 19 5.765 0.382 0.396 1.00 0.00 N ATOM 235 CA LEU A 19 5.995 -0.721 1.324 1.00 0.00 C ATOM 236 C LEU A 19 4.898 -1.769 1.171 1.00 0.00 C ATOM 237 O LEU A 19 5.166 -2.969 1.113 1.00 0.00 O ATOM 238 CB LEU A 19 6.006 -0.216 2.768 1.00 0.00 C ATOM 239 CG LEU A 19 6.519 -1.321 3.691 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.185 -0.695 4.917 1.00 0.00 C ATOM 241 CD2 LEU A 19 5.344 -2.194 4.141 1.00 0.00 C ATOM 0 H LEU A 19 5.599 1.285 0.840 1.00 0.00 H new ATOM 0 HA LEU A 19 6.963 -1.165 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.641 0.666 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.002 0.085 3.067 1.00 0.00 H new ATOM 0 HG LEU A 19 7.245 -1.933 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.551 -1.483 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.021 -0.072 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.459 -0.083 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.708 -2.983 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.619 -1.581 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.868 -2.641 3.268 1.00 0.00 H new ATOM 253 N LEU A 20 3.655 -1.297 1.100 1.00 0.00 N ATOM 254 CA LEU A 20 2.518 -2.198 0.946 1.00 0.00 C ATOM 255 C LEU A 20 2.481 -2.761 -0.469 1.00 0.00 C ATOM 256 O LEU A 20 2.085 -3.907 -0.688 1.00 0.00 O ATOM 257 CB LEU A 20 1.207 -1.458 1.224 1.00 0.00 C ATOM 258 CG LEU A 20 0.868 -1.559 2.712 1.00 0.00 C ATOM 259 CD1 LEU A 20 -0.069 -0.415 3.101 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.179 -2.897 2.989 1.00 0.00 C ATOM 0 H LEU A 20 3.412 -0.307 1.146 1.00 0.00 H new ATOM 0 HA LEU A 20 2.631 -3.013 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.299 -0.412 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.402 -1.886 0.627 1.00 0.00 H new ATOM 0 HG LEU A 20 1.785 -1.493 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.311 -0.487 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.420 0.539 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.986 -0.480 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.063 -2.969 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.738 -2.963 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.846 -3.714 2.712 1.00 0.00 H new ATOM 272 N ARG A 21 2.903 -1.943 -1.430 1.00 0.00 N ATOM 273 CA ARG A 21 2.919 -2.365 -2.827 1.00 0.00 C ATOM 274 C ARG A 21 3.900 -3.519 -3.019 1.00 0.00 C ATOM 275 O ARG A 21 3.599 -4.503 -3.694 1.00 0.00 O ATOM 276 CB ARG A 21 3.334 -1.206 -3.735 1.00 0.00 C ATOM 277 CG ARG A 21 2.142 -0.268 -3.943 1.00 0.00 C ATOM 278 CD ARG A 21 2.299 0.474 -5.270 1.00 0.00 C ATOM 279 NE ARG A 21 1.724 1.819 -5.182 1.00 0.00 N ATOM 280 CZ ARG A 21 1.915 2.740 -6.136 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.633 2.478 -7.202 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.378 3.921 -6.002 1.00 0.00 N ATOM 0 H ARG A 21 3.236 -0.992 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 21 1.913 -2.689 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.166 -0.661 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.681 -1.588 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.213 -0.838 -3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.080 0.445 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.355 0.541 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.808 -0.086 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 21 1.160 2.062 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.059 1.558 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.766 3.194 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.819 4.136 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.517 4.629 -6.723 1.00 0.00 H new ATOM 296 N LYS A 22 5.076 -3.384 -2.414 1.00 0.00 N ATOM 297 CA LYS A 22 6.099 -4.420 -2.520 1.00 0.00 C ATOM 298 C LYS A 22 5.599 -5.725 -1.909 1.00 0.00 C ATOM 299 O LYS A 22 5.924 -6.814 -2.382 1.00 0.00 O ATOM 300 CB LYS A 22 7.377 -3.987 -1.796 1.00 0.00 C ATOM 301 CG LYS A 22 8.557 -4.832 -2.285 1.00 0.00 C ATOM 302 CD LYS A 22 8.782 -6.001 -1.324 1.00 0.00 C ATOM 303 CE LYS A 22 9.600 -5.525 -0.123 1.00 0.00 C ATOM 304 NZ LYS A 22 11.021 -5.339 -0.531 1.00 0.00 N ATOM 0 H LYS A 22 5.343 -2.577 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 22 6.316 -4.573 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.572 -2.931 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.254 -4.104 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.358 -5.206 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.456 -4.219 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.824 -6.400 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.304 -6.810 -1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.194 -4.588 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.535 -6.253 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.632 -5.385 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.292 -6.090 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.132 -4.412 -0.990 1.00 0.00 H new ATOM 318 N ARG A 23 4.800 -5.601 -0.854 1.00 0.00 N ATOM 319 CA ARG A 23 4.251 -6.777 -0.185 1.00 0.00 C ATOM 320 C ARG A 23 3.209 -7.453 -1.069 1.00 0.00 C ATOM 321 O ARG A 23 3.062 -8.675 -1.062 1.00 0.00 O ATOM 322 CB ARG A 23 3.600 -6.385 1.143 1.00 0.00 C ATOM 323 CG ARG A 23 3.292 -7.647 1.953 1.00 0.00 C ATOM 324 CD ARG A 23 2.569 -7.262 3.246 1.00 0.00 C ATOM 325 NE ARG A 23 1.888 -8.426 3.820 1.00 0.00 N ATOM 326 CZ ARG A 23 0.993 -8.310 4.812 1.00 0.00 C ATOM 327 NH1 ARG A 23 0.687 -7.140 5.319 1.00 0.00 N ATOM 328 NH2 ARG A 23 0.419 -9.383 5.283 1.00 0.00 N ATOM 0 H ARG A 23 4.520 -4.709 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 23 5.071 -7.469 0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.265 -5.731 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.683 -5.825 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.673 -8.326 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.216 -8.177 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.284 -6.861 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.845 -6.473 3.043 1.00 0.00 H new ATOM 0 HE ARG A 23 2.102 -9.354 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.132 -6.296 4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.003 -7.074 6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.653 -10.298 4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.263 -9.307 6.037 1.00 0.00 H new ATOM 342 N ARG A 24 2.489 -6.638 -1.836 1.00 0.00 N ATOM 343 CA ARG A 24 1.459 -7.159 -2.730 1.00 0.00 C ATOM 344 C ARG A 24 2.089 -8.015 -3.824 1.00 0.00 C ATOM 345 O ARG A 24 1.729 -9.177 -4.008 1.00 0.00 O ATOM 346 CB ARG A 24 0.683 -6.011 -3.379 1.00 0.00 C ATOM 347 CG ARG A 24 -0.593 -6.556 -4.025 1.00 0.00 C ATOM 348 CD ARG A 24 -1.651 -5.452 -4.072 1.00 0.00 C ATOM 349 NE ARG A 24 -1.429 -4.572 -5.222 1.00 0.00 N ATOM 350 CZ ARG A 24 -1.711 -4.953 -6.477 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.198 -6.144 -6.733 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.495 -4.124 -7.461 1.00 0.00 N ATOM 0 H ARG A 24 2.598 -5.624 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 24 0.776 -7.769 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.432 -5.259 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.301 -5.519 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.380 -6.913 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.966 -7.408 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.645 -5.896 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.618 -4.870 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.048 -3.639 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.369 -6.800 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.406 -6.414 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.115 -3.196 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.706 -4.404 -8.419 1.00 0.00 H new ATOM 366 N GLU A 25 3.035 -7.425 -4.550 1.00 0.00 N ATOM 367 CA GLU A 25 3.714 -8.140 -5.627 1.00 0.00 C ATOM 368 C GLU A 25 4.461 -9.353 -5.078 1.00 0.00 C ATOM 369 O GLU A 25 4.598 -10.373 -5.754 1.00 0.00 O ATOM 370 CB GLU A 25 4.708 -7.221 -6.342 1.00 0.00 C ATOM 371 CG GLU A 25 5.696 -6.637 -5.329 1.00 0.00 C ATOM 372 CD GLU A 25 6.790 -5.872 -6.068 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.479 -4.840 -6.640 1.00 0.00 O ATOM 374 OE2 GLU A 25 7.921 -6.329 -6.049 1.00 0.00 O ATOM 0 H GLU A 25 3.347 -6.463 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 25 2.956 -8.472 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.246 -7.779 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.174 -6.417 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.176 -5.973 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.136 -7.436 -4.732 1.00 0.00 H new ATOM 381 N GLN A 26 4.940 -9.230 -3.844 1.00 0.00 N ATOM 382 CA GLN A 26 5.671 -10.324 -3.209 1.00 0.00 C ATOM 383 C GLN A 26 4.743 -11.508 -2.958 1.00 0.00 C ATOM 384 O GLN A 26 5.121 -12.664 -3.152 1.00 0.00 O ATOM 385 CB GLN A 26 6.268 -9.867 -1.876 1.00 0.00 C ATOM 386 CG GLN A 26 7.297 -10.892 -1.399 1.00 0.00 C ATOM 387 CD GLN A 26 7.730 -10.554 0.024 1.00 0.00 C ATOM 388 OE1 GLN A 26 6.921 -10.102 0.833 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.971 -10.749 0.380 1.00 0.00 N ATOM 0 H GLN A 26 4.838 -8.394 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 26 6.474 -10.627 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.739 -8.891 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.479 -9.754 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.870 -11.894 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.161 -10.892 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.641 -11.124 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.270 -10.527 1.329 1.00 0.00 H new ATOM 398 N LEU A 27 3.523 -11.206 -2.525 1.00 0.00 N ATOM 399 CA LEU A 27 2.543 -12.252 -2.249 1.00 0.00 C ATOM 400 C LEU A 27 2.168 -12.983 -3.535 1.00 0.00 C ATOM 401 O LEU A 27 1.993 -14.202 -3.546 1.00 0.00 O ATOM 402 CB LEU A 27 1.279 -11.652 -1.630 1.00 0.00 C ATOM 403 CG LEU A 27 1.569 -11.227 -0.190 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.477 -10.272 0.293 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.596 -12.465 0.711 1.00 0.00 C ATOM 0 H LEU A 27 3.191 -10.256 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 27 2.991 -12.956 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.947 -10.794 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.470 -12.382 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 27 2.535 -10.724 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.685 -9.970 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.456 -9.390 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.490 -10.774 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.803 -12.163 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.630 -12.967 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.375 -13.147 0.369 1.00 0.00 H new ATOM 417 N LYS A 28 2.048 -12.222 -4.620 1.00 0.00 N ATOM 418 CA LYS A 28 1.694 -12.806 -5.911 1.00 0.00 C ATOM 419 C LYS A 28 2.841 -13.658 -6.442 1.00 0.00 C ATOM 420 O LYS A 28 2.628 -14.723 -7.022 1.00 0.00 O ATOM 421 CB LYS A 28 1.381 -11.704 -6.928 1.00 0.00 C ATOM 422 CG LYS A 28 0.325 -12.206 -7.914 1.00 0.00 C ATOM 423 CD LYS A 28 1.017 -12.821 -9.133 1.00 0.00 C ATOM 424 CE LYS A 28 0.108 -13.883 -9.755 1.00 0.00 C ATOM 425 NZ LYS A 28 0.777 -14.471 -10.949 1.00 0.00 N ATOM 0 H LYS A 28 2.189 -11.212 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 28 0.812 -13.431 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.020 -10.812 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.287 -11.419 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.314 -12.947 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.319 -11.383 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.243 -12.046 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.967 -13.267 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.110 -14.663 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.845 -13.439 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.160 -15.193 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.963 -13.722 -11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.676 -14.909 -10.663 1.00 0.00 H new ATOM 439 N HIS A 29 4.065 -13.177 -6.235 1.00 0.00 N ATOM 440 CA HIS A 29 5.245 -13.902 -6.698 1.00 0.00 C ATOM 441 C HIS A 29 5.374 -15.233 -5.962 1.00 0.00 C ATOM 442 O HIS A 29 5.730 -16.254 -6.552 1.00 0.00 O ATOM 443 CB HIS A 29 6.510 -13.077 -6.455 1.00 0.00 C ATOM 444 CG HIS A 29 6.573 -11.952 -7.452 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.286 -12.138 -8.795 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.890 -10.623 -7.316 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.434 -10.949 -9.409 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.802 -9.992 -8.554 1.00 0.00 N ATOM 0 H HIS A 29 4.264 -12.299 -5.756 1.00 0.00 H new ATOM 0 HA HIS A 29 5.130 -14.085 -7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.508 -12.679 -5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.393 -13.709 -6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.166 -10.141 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.274 -10.789 -10.465 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.980 -9.010 -8.763 1.00 0.00 H new ATOM 456 N LYS A 30 5.080 -15.209 -4.664 1.00 0.00 N ATOM 457 CA LYS A 30 5.164 -16.420 -3.851 1.00 0.00 C ATOM 458 C LYS A 30 4.199 -17.480 -4.369 1.00 0.00 C ATOM 459 O LYS A 30 4.581 -18.626 -4.609 1.00 0.00 O ATOM 460 CB LYS A 30 4.825 -16.109 -2.393 1.00 0.00 C ATOM 461 CG LYS A 30 5.599 -17.060 -1.475 1.00 0.00 C ATOM 462 CD LYS A 30 5.969 -16.332 -0.182 1.00 0.00 C ATOM 463 CE LYS A 30 4.753 -16.283 0.745 1.00 0.00 C ATOM 464 NZ LYS A 30 4.785 -17.453 1.668 1.00 0.00 N ATOM 0 H LYS A 30 4.785 -14.375 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 30 6.185 -16.797 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.080 -15.075 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.753 -16.218 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.994 -17.938 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.500 -17.414 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.795 -16.844 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.309 -15.321 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.755 -15.355 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.834 -16.294 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.959 -17.420 2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.763 -18.333 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.655 -17.423 2.236 1.00 0.00 H new ATOM 478 N LEU A 31 2.940 -17.084 -4.541 1.00 0.00 N ATOM 479 CA LEU A 31 1.919 -18.006 -5.034 1.00 0.00 C ATOM 480 C LEU A 31 2.283 -18.508 -6.429 1.00 0.00 C ATOM 481 O LEU A 31 2.037 -19.662 -6.775 1.00 0.00 O ATOM 482 CB LEU A 31 0.556 -17.310 -5.092 1.00 0.00 C ATOM 483 CG LEU A 31 -0.545 -18.296 -4.695 1.00 0.00 C ATOM 484 CD1 LEU A 31 -1.842 -17.533 -4.423 1.00 0.00 C ATOM 485 CD2 LEU A 31 -0.770 -19.292 -5.836 1.00 0.00 C ATOM 0 H LEU A 31 2.604 -16.140 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 31 1.866 -18.851 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.547 -16.451 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.373 -16.931 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.245 -18.833 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.625 -18.236 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.683 -16.822 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.144 -16.996 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.554 -19.996 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.070 -18.754 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.154 -19.837 -6.031 1.00 0.00 H new ATOM 497 N GLU A 32 2.869 -17.620 -7.226 1.00 0.00 N ATOM 498 CA GLU A 32 3.266 -17.971 -8.588 1.00 0.00 C ATOM 499 C GLU A 32 4.273 -19.119 -8.576 1.00 0.00 C ATOM 500 O GLU A 32 4.072 -20.145 -9.223 1.00 0.00 O ATOM 501 CB GLU A 32 3.893 -16.765 -9.289 1.00 0.00 C ATOM 502 CG GLU A 32 3.784 -16.943 -10.805 1.00 0.00 C ATOM 503 CD GLU A 32 4.569 -15.840 -11.505 1.00 0.00 C ATOM 504 OE1 GLU A 32 5.764 -16.012 -11.684 1.00 0.00 O ATOM 505 OE2 GLU A 32 3.966 -14.838 -11.851 1.00 0.00 O ATOM 0 H GLU A 32 3.079 -16.659 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 32 2.371 -18.282 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.388 -15.849 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.939 -16.665 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.171 -17.920 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.738 -16.910 -11.111 1.00 0.00 H new ATOM 512 N GLN A 33 5.359 -18.931 -7.832 1.00 0.00 N ATOM 513 CA GLN A 33 6.394 -19.958 -7.743 1.00 0.00 C ATOM 514 C GLN A 33 6.245 -20.758 -6.452 1.00 0.00 C ATOM 515 O GLN A 33 7.229 -21.221 -5.875 1.00 0.00 O ATOM 516 CB GLN A 33 7.786 -19.322 -7.777 1.00 0.00 C ATOM 517 CG GLN A 33 7.882 -18.243 -6.696 1.00 0.00 C ATOM 518 CD GLN A 33 9.300 -18.209 -6.135 1.00 0.00 C ATOM 519 OE1 GLN A 33 9.967 -19.240 -6.055 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.805 -17.071 -5.738 1.00 0.00 N ATOM 0 H GLN A 33 5.545 -18.088 -7.288 1.00 0.00 H new ATOM 0 HA GLN A 33 6.278 -20.624 -8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.549 -20.083 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.974 -18.886 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.622 -17.271 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.169 -18.448 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.252 -16.217 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.752 -17.037 -5.362 1.00 0.00 H new ATOM 529 N LEU A 34 5.000 -20.916 -6.005 1.00 0.00 N ATOM 530 CA LEU A 34 4.726 -21.664 -4.780 1.00 0.00 C ATOM 531 C LEU A 34 5.434 -21.024 -3.589 1.00 0.00 C ATOM 532 O LEU A 34 6.327 -20.194 -3.756 1.00 0.00 O ATOM 533 CB LEU A 34 5.201 -23.118 -4.920 1.00 0.00 C ATOM 534 CG LEU A 34 4.157 -23.957 -5.674 1.00 0.00 C ATOM 535 CD1 LEU A 34 2.839 -23.978 -4.895 1.00 0.00 C ATOM 536 CD2 LEU A 34 3.917 -23.365 -7.068 1.00 0.00 C ATOM 0 H LEU A 34 4.173 -20.540 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 34 3.649 -21.647 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.152 -23.146 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.376 -23.546 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 34 4.532 -24.976 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.105 -24.575 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.005 -24.414 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.467 -22.960 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.176 -23.965 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.553 -22.342 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.851 -23.366 -7.630 1.00 0.00 H new HETATM 548 N NH2 A 35 5.083 -21.367 -2.380 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -4.517 25.817 2.819 1.00 0.00 C HETATM 553 O ACE B 2 -4.741 26.913 2.309 1.00 0.00 O HETATM 554 CH3 ACE B 2 -4.600 25.620 4.330 1.00 0.00 C HETATM 0 H1 ACE B 2 -5.355 24.868 4.558 1.00 0.00 H new HETATM 0 H2 ACE B 2 -3.632 25.289 4.707 1.00 0.00 H new HETATM 0 H3 ACE B 2 -4.872 26.562 4.805 1.00 0.00 H new ATOM 558 N CYS B 3 -4.190 24.738 2.112 1.00 0.00 N ATOM 559 CA CYS B 3 -4.078 24.799 0.657 1.00 0.00 C ATOM 560 C CYS B 3 -5.234 24.049 0.002 1.00 0.00 C ATOM 561 O CYS B 3 -5.873 24.551 -0.922 1.00 0.00 O ATOM 562 CB CYS B 3 -2.758 24.180 0.194 1.00 0.00 C ATOM 563 SG CYS B 3 -2.408 24.705 -1.502 1.00 0.00 S ATOM 0 H CYS B 3 -4.000 23.821 2.517 1.00 0.00 H new ATOM 0 HA CYS B 3 -4.110 25.848 0.362 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -1.948 24.487 0.856 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -2.816 23.093 0.245 1.00 0.00 H new ATOM 568 N GLY B 4 -5.494 22.842 0.494 1.00 0.00 N ATOM 569 CA GLY B 4 -6.576 22.025 -0.049 1.00 0.00 C ATOM 570 C GLY B 4 -6.020 20.813 -0.788 1.00 0.00 C ATOM 571 O GLY B 4 -6.592 19.724 -0.744 1.00 0.00 O ATOM 0 H GLY B 4 -4.977 22.410 1.260 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -7.230 21.696 0.759 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -7.184 22.623 -0.728 1.00 0.00 H new ATOM 575 N GLY B 5 -4.894 21.014 -1.467 1.00 0.00 N ATOM 576 CA GLY B 5 -4.263 19.930 -2.216 1.00 0.00 C ATOM 577 C GLY B 5 -3.556 18.963 -1.272 1.00 0.00 C ATOM 578 O GLY B 5 -3.480 17.762 -1.532 1.00 0.00 O ATOM 0 H GLY B 5 -4.404 21.907 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -5.016 19.395 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -3.546 20.341 -2.927 1.00 0.00 H new ATOM 582 N MET B 6 -3.037 19.502 -0.172 1.00 0.00 N ATOM 583 CA MET B 6 -2.335 18.679 0.810 1.00 0.00 C ATOM 584 C MET B 6 -3.277 17.635 1.401 1.00 0.00 C ATOM 585 O MET B 6 -3.010 16.435 1.346 1.00 0.00 O ATOM 586 CB MET B 6 -1.783 19.549 1.941 1.00 0.00 C ATOM 587 CG MET B 6 -0.853 18.715 2.820 1.00 0.00 C ATOM 588 SD MET B 6 0.234 19.812 3.764 1.00 0.00 S ATOM 589 CE MET B 6 -0.868 20.066 5.176 1.00 0.00 C ATOM 0 H MET B 6 -3.088 20.494 0.061 1.00 0.00 H new ATOM 0 HA MET B 6 -1.511 18.179 0.302 1.00 0.00 H new ATOM 0 HB2 MET B 6 -1.243 20.401 1.528 1.00 0.00 H new ATOM 0 HB3 MET B 6 -2.602 19.950 2.538 1.00 0.00 H new ATOM 0 HG2 MET B 6 -1.437 18.094 3.498 1.00 0.00 H new ATOM 0 HG3 MET B 6 -0.259 18.041 2.202 1.00 0.00 H new ATOM 0 HE1 MET B 6 -0.388 20.726 5.898 1.00 0.00 H new ATOM 0 HE2 MET B 6 -1.799 20.518 4.834 1.00 0.00 H new ATOM 0 HE3 MET B 6 -1.082 19.107 5.648 1.00 0.00 H new ATOM 599 N ARG B 7 -4.384 18.107 1.969 1.00 0.00 N ATOM 600 CA ARG B 7 -5.363 17.206 2.569 1.00 0.00 C ATOM 601 C ARG B 7 -6.000 16.324 1.502 1.00 0.00 C ATOM 602 O ARG B 7 -6.345 15.170 1.755 1.00 0.00 O ATOM 603 CB ARG B 7 -6.461 18.005 3.276 1.00 0.00 C ATOM 604 CG ARG B 7 -6.985 17.205 4.473 1.00 0.00 C ATOM 605 CD ARG B 7 -8.439 17.594 4.767 1.00 0.00 C ATOM 606 NE ARG B 7 -8.548 18.224 6.085 1.00 0.00 N ATOM 607 CZ ARG B 7 -8.208 19.506 6.293 1.00 0.00 C ATOM 608 NH1 ARG B 7 -7.758 20.258 5.317 1.00 0.00 N ATOM 609 NH2 ARG B 7 -8.326 20.012 7.490 1.00 0.00 N ATOM 0 H ARG B 7 -4.624 19.097 2.026 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.844 16.580 3.295 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.069 18.965 3.611 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.275 18.217 2.583 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.921 16.137 4.264 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -6.364 17.396 5.349 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.800 18.279 4.000 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -9.073 16.708 4.728 1.00 0.00 H new ATOM 0 HE ARG B 7 -8.893 17.671 6.870 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -7.661 19.871 4.378 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -7.505 21.230 5.497 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -8.673 19.435 8.256 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -8.071 20.985 7.660 1.00 0.00 H new ATOM 623 N ARG B 8 -6.148 16.881 0.303 1.00 0.00 N ATOM 624 CA ARG B 8 -6.746 16.135 -0.803 1.00 0.00 C ATOM 625 C ARG B 8 -5.821 15.007 -1.245 1.00 0.00 C ATOM 626 O ARG B 8 -6.217 13.843 -1.292 1.00 0.00 O ATOM 627 CB ARG B 8 -7.006 17.061 -1.992 1.00 0.00 C ATOM 628 CG ARG B 8 -8.387 17.704 -1.847 1.00 0.00 C ATOM 629 CD ARG B 8 -9.428 16.853 -2.576 1.00 0.00 C ATOM 630 NE ARG B 8 -10.493 17.695 -3.124 1.00 0.00 N ATOM 631 CZ ARG B 8 -11.473 17.196 -3.891 1.00 0.00 C ATOM 632 NH1 ARG B 8 -11.520 15.919 -4.187 1.00 0.00 N ATOM 633 NH2 ARG B 8 -12.396 17.995 -4.352 1.00 0.00 N ATOM 0 H ARG B 8 -5.867 17.834 0.073 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.690 15.716 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.237 17.832 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.952 16.498 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.649 17.793 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.375 18.713 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.949 16.294 -3.380 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.853 16.122 -1.889 1.00 0.00 H new ATOM 0 HE ARG B 8 -10.489 18.693 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.803 15.286 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -12.274 15.559 -4.772 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -12.368 18.990 -4.128 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -13.146 17.625 -4.936 1.00 0.00 H new ATOM 647 N LYS B 9 -4.581 15.367 -1.567 1.00 0.00 N ATOM 648 CA LYS B 9 -3.600 14.376 -2.005 1.00 0.00 C ATOM 649 C LYS B 9 -3.341 13.360 -0.898 1.00 0.00 C ATOM 650 O LYS B 9 -3.227 12.160 -1.152 1.00 0.00 O ATOM 651 CB LYS B 9 -2.282 15.057 -2.376 1.00 0.00 C ATOM 652 CG LYS B 9 -1.538 14.203 -3.407 1.00 0.00 C ATOM 653 CD LYS B 9 -2.176 14.391 -4.787 1.00 0.00 C ATOM 654 CE LYS B 9 -1.384 15.430 -5.586 1.00 0.00 C ATOM 655 NZ LYS B 9 -2.095 16.740 -5.541 1.00 0.00 N ATOM 0 H LYS B 9 -4.234 16.326 -1.534 1.00 0.00 H new ATOM 0 HA LYS B 9 -4.003 13.865 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.475 16.050 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.666 15.191 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.486 14.488 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.575 13.153 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -2.193 13.442 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -3.211 14.714 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.381 15.534 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.271 15.101 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -1.676 17.386 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -3.101 16.597 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -2.004 17.152 -4.590 1.00 0.00 H new ATOM 669 N ASN B 10 -3.246 13.854 0.332 1.00 0.00 N ATOM 670 CA ASN B 10 -3.000 12.982 1.476 1.00 0.00 C ATOM 671 C ASN B 10 -4.152 11.998 1.653 1.00 0.00 C ATOM 672 O ASN B 10 -3.952 10.848 2.047 1.00 0.00 O ATOM 673 CB ASN B 10 -2.848 13.807 2.757 1.00 0.00 C ATOM 674 CG ASN B 10 -1.388 14.210 2.938 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.860 14.179 4.049 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.700 14.590 1.900 1.00 0.00 N ATOM 0 H ASN B 10 -3.335 14.844 0.562 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.078 12.433 1.287 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.477 14.696 2.706 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.185 13.227 3.617 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.277 14.862 2.008 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.138 14.616 0.979 1.00 0.00 H new ATOM 683 N ASP B 11 -5.362 12.464 1.357 1.00 0.00 N ATOM 684 CA ASP B 11 -6.545 11.618 1.485 1.00 0.00 C ATOM 685 C ASP B 11 -6.461 10.435 0.527 1.00 0.00 C ATOM 686 O ASP B 11 -6.766 9.299 0.890 1.00 0.00 O ATOM 687 CB ASP B 11 -7.812 12.419 1.179 1.00 0.00 C ATOM 688 CG ASP B 11 -9.026 11.686 1.738 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.974 11.283 2.889 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.992 11.536 1.007 1.00 0.00 O ATOM 0 H ASP B 11 -5.549 13.412 1.030 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.587 11.252 2.511 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.741 13.414 1.619 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.919 12.553 0.103 1.00 0.00 H new ATOM 695 N THR B 12 -6.044 10.716 -0.705 1.00 0.00 N ATOM 696 CA THR B 12 -5.922 9.668 -1.715 1.00 0.00 C ATOM 697 C THR B 12 -4.848 8.663 -1.314 1.00 0.00 C ATOM 698 O THR B 12 -4.948 7.473 -1.611 1.00 0.00 O ATOM 699 CB THR B 12 -5.557 10.273 -3.073 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.260 10.846 -3.001 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.575 11.352 -3.444 1.00 0.00 C ATOM 0 H THR B 12 -5.787 11.650 -1.026 1.00 0.00 H new ATOM 0 HA THR B 12 -6.884 9.160 -1.790 1.00 0.00 H new ATOM 0 HB THR B 12 -5.567 9.492 -3.833 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.185 11.383 -2.185 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.314 11.782 -4.411 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.570 10.910 -3.500 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.568 12.135 -2.685 1.00 0.00 H new ATOM 709 N HIS B 13 -3.815 9.157 -0.635 1.00 0.00 N ATOM 710 CA HIS B 13 -2.723 8.294 -0.195 1.00 0.00 C ATOM 711 C HIS B 13 -3.229 7.273 0.820 1.00 0.00 C ATOM 712 O HIS B 13 -2.787 6.124 0.842 1.00 0.00 O ATOM 713 CB HIS B 13 -1.608 9.122 0.445 1.00 0.00 C ATOM 714 CG HIS B 13 -0.703 9.659 -0.628 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.136 8.840 -1.365 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.495 10.931 -1.101 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.806 9.620 -2.235 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.458 10.904 -2.115 1.00 0.00 N ATOM 0 H HIS B 13 -3.712 10.139 -0.380 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.331 7.775 -1.070 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.035 9.944 1.020 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.038 8.507 1.142 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.230 7.829 -1.267 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.995 11.818 -0.741 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.535 9.253 -2.942 1.00 0.00 H new ATOM 726 N GLN B 14 -4.162 7.709 1.661 1.00 0.00 N ATOM 727 CA GLN B 14 -4.727 6.830 2.680 1.00 0.00 C ATOM 728 C GLN B 14 -5.599 5.757 2.036 1.00 0.00 C ATOM 729 O GLN B 14 -5.574 4.593 2.437 1.00 0.00 O ATOM 730 CB GLN B 14 -5.574 7.632 3.670 1.00 0.00 C ATOM 731 CG GLN B 14 -4.658 8.462 4.572 1.00 0.00 C ATOM 732 CD GLN B 14 -5.432 8.911 5.807 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.587 9.328 5.707 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.859 8.853 6.978 1.00 0.00 N ATOM 0 H GLN B 14 -4.540 8.656 1.658 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.901 6.356 3.210 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.260 8.285 3.131 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.182 6.958 4.273 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.790 7.873 4.868 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.284 9.330 4.029 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.903 8.508 7.061 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.367 9.153 7.810 1.00 0.00 H new ATOM 743 N GLN B 15 -6.374 6.164 1.033 1.00 0.00 N ATOM 744 CA GLN B 15 -7.255 5.230 0.338 1.00 0.00 C ATOM 745 C GLN B 15 -6.441 4.138 -0.350 1.00 0.00 C ATOM 746 O GLN B 15 -6.804 2.962 -0.319 1.00 0.00 O ATOM 747 CB GLN B 15 -8.092 5.963 -0.712 1.00 0.00 C ATOM 748 CG GLN B 15 -9.438 5.254 -0.874 1.00 0.00 C ATOM 749 CD GLN B 15 -10.462 6.232 -1.444 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.020 7.052 -0.714 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.744 6.193 -2.717 1.00 0.00 N ATOM 0 H GLN B 15 -6.410 7.123 0.687 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.915 4.778 1.078 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.248 6.999 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.563 5.985 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.331 4.395 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.779 4.874 0.089 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.282 5.514 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.427 6.842 -3.108 1.00 0.00 H new ATOM 760 N ASP B 16 -5.334 4.540 -0.969 1.00 0.00 N ATOM 761 CA ASP B 16 -4.471 3.585 -1.662 1.00 0.00 C ATOM 762 C ASP B 16 -3.929 2.551 -0.681 1.00 0.00 C ATOM 763 O ASP B 16 -3.838 1.363 -0.993 1.00 0.00 O ATOM 764 CB ASP B 16 -3.295 4.306 -2.325 1.00 0.00 C ATOM 765 CG ASP B 16 -2.868 3.542 -3.574 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.491 3.734 -4.604 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.923 2.776 -3.481 1.00 0.00 O ATOM 0 H ASP B 16 -5.015 5.508 -1.006 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.067 3.086 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.581 5.324 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.460 4.380 -1.628 1.00 0.00 H new ATOM 772 N ILE B 17 -3.579 3.016 0.515 1.00 0.00 N ATOM 773 CA ILE B 17 -3.052 2.128 1.548 1.00 0.00 C ATOM 774 C ILE B 17 -4.099 1.075 1.916 1.00 0.00 C ATOM 775 O ILE B 17 -3.981 -0.097 1.559 1.00 0.00 O ATOM 776 CB ILE B 17 -2.659 2.951 2.800 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.279 3.571 2.575 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.614 2.070 4.066 1.00 0.00 C ATOM 779 CD1 ILE B 17 -1.010 4.624 3.651 1.00 0.00 C ATOM 0 H ILE B 17 -3.650 3.995 0.792 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.165 1.623 1.165 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.412 3.725 2.950 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.512 2.798 2.608 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.230 4.026 1.586 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.335 2.681 4.925 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.596 1.630 4.238 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.879 1.276 3.931 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -0.026 5.065 3.490 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.771 5.403 3.596 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.041 4.155 4.635 1.00 0.00 H new ATOM 791 N ASP B 18 -5.107 1.515 2.669 1.00 0.00 N ATOM 792 CA ASP B 18 -6.168 0.621 3.132 1.00 0.00 C ATOM 793 C ASP B 18 -6.683 -0.279 2.004 1.00 0.00 C ATOM 794 O ASP B 18 -7.126 -1.403 2.240 1.00 0.00 O ATOM 795 CB ASP B 18 -7.336 1.438 3.697 1.00 0.00 C ATOM 796 CG ASP B 18 -7.210 1.535 5.215 1.00 0.00 C ATOM 797 OD1 ASP B 18 -7.592 0.589 5.883 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.735 2.556 5.686 1.00 0.00 O ATOM 0 H ASP B 18 -5.211 2.484 2.971 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.744 -0.013 3.911 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.340 2.436 3.258 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.283 0.969 3.430 1.00 0.00 H new ATOM 803 N ASP B 19 -6.612 0.228 0.776 1.00 0.00 N ATOM 804 CA ASP B 19 -7.066 -0.539 -0.381 1.00 0.00 C ATOM 805 C ASP B 19 -6.079 -1.661 -0.687 1.00 0.00 C ATOM 806 O ASP B 19 -6.471 -2.780 -1.022 1.00 0.00 O ATOM 807 CB ASP B 19 -7.190 0.364 -1.610 1.00 0.00 C ATOM 808 CG ASP B 19 -7.863 -0.405 -2.742 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.339 -1.440 -3.121 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.891 0.052 -3.213 1.00 0.00 O ATOM 0 H ASP B 19 -6.249 1.156 0.557 1.00 0.00 H new ATOM 0 HA ASP B 19 -8.043 -0.962 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.771 1.253 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.204 0.705 -1.924 1.00 0.00 H new ATOM 815 N LEU B 20 -4.794 -1.348 -0.560 1.00 0.00 N ATOM 816 CA LEU B 20 -3.748 -2.334 -0.819 1.00 0.00 C ATOM 817 C LEU B 20 -3.812 -3.455 0.214 1.00 0.00 C ATOM 818 O LEU B 20 -3.655 -4.631 -0.111 1.00 0.00 O ATOM 819 CB LEU B 20 -2.367 -1.679 -0.754 1.00 0.00 C ATOM 820 CG LEU B 20 -2.132 -0.855 -2.020 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.969 0.113 -1.791 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.793 -1.792 -3.182 1.00 0.00 C ATOM 0 H LEU B 20 -4.452 -0.428 -0.282 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.909 -2.744 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.297 -1.040 0.126 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.595 -2.442 -0.656 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.033 -0.290 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.801 0.700 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.209 0.780 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.067 -0.451 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.625 -1.205 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.892 -2.356 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.620 -2.482 -3.346 1.00 0.00 H new ATOM 834 N LYS B 21 -4.046 -3.071 1.466 1.00 0.00 N ATOM 835 CA LYS B 21 -4.131 -4.045 2.550 1.00 0.00 C ATOM 836 C LYS B 21 -5.285 -5.013 2.309 1.00 0.00 C ATOM 837 O LYS B 21 -5.217 -6.187 2.672 1.00 0.00 O ATOM 838 CB LYS B 21 -4.345 -3.336 3.889 1.00 0.00 C ATOM 839 CG LYS B 21 -4.199 -4.344 5.031 1.00 0.00 C ATOM 840 CD LYS B 21 -2.750 -4.357 5.519 1.00 0.00 C ATOM 841 CE LYS B 21 -2.498 -3.135 6.406 1.00 0.00 C ATOM 842 NZ LYS B 21 -2.760 -3.493 7.829 1.00 0.00 N ATOM 0 H LYS B 21 -4.179 -2.101 1.753 1.00 0.00 H new ATOM 0 HA LYS B 21 -3.193 -4.600 2.579 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.620 -2.531 4.006 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -5.335 -2.880 3.917 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -4.867 -4.080 5.851 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -4.488 -5.339 4.691 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.552 -5.272 6.077 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.069 -4.349 4.668 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.470 -2.793 6.289 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -3.144 -2.312 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -2.589 -2.664 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.748 -3.800 7.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.126 -4.266 8.115 1.00 0.00 H new ATOM 856 N ARG B 22 -6.349 -4.503 1.695 1.00 0.00 N ATOM 857 CA ARG B 22 -7.519 -5.329 1.409 1.00 0.00 C ATOM 858 C ARG B 22 -7.159 -6.448 0.438 1.00 0.00 C ATOM 859 O ARG B 22 -7.379 -7.627 0.718 1.00 0.00 O ATOM 860 CB ARG B 22 -8.637 -4.481 0.798 1.00 0.00 C ATOM 861 CG ARG B 22 -9.934 -5.292 0.770 1.00 0.00 C ATOM 862 CD ARG B 22 -10.945 -4.607 -0.152 1.00 0.00 C ATOM 863 NE ARG B 22 -10.713 -4.991 -1.548 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.610 -4.745 -2.513 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.748 -4.146 -2.248 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.349 -5.109 -3.737 1.00 0.00 N ATOM 0 H ARG B 22 -6.426 -3.533 1.389 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.862 -5.761 2.349 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.777 -3.570 1.381 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.365 -4.175 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.735 -6.305 0.420 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.344 -5.378 1.776 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.958 -4.881 0.143 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.865 -3.525 -0.049 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.841 -5.460 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.963 -3.859 -1.293 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.417 -3.968 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.469 -5.577 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.025 -4.926 -4.479 1.00 0.00 H new ATOM 880 N GLN B 23 -6.603 -6.066 -0.709 1.00 0.00 N ATOM 881 CA GLN B 23 -6.216 -7.048 -1.719 1.00 0.00 C ATOM 882 C GLN B 23 -5.138 -7.978 -1.171 1.00 0.00 C ATOM 883 O GLN B 23 -5.189 -9.193 -1.365 1.00 0.00 O ATOM 884 CB GLN B 23 -5.684 -6.343 -2.973 1.00 0.00 C ATOM 885 CG GLN B 23 -6.145 -7.097 -4.223 1.00 0.00 C ATOM 886 CD GLN B 23 -5.482 -8.470 -4.264 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.004 -9.434 -3.704 1.00 0.00 O ATOM 888 NE2 GLN B 23 -4.354 -8.616 -4.900 1.00 0.00 N ATOM 0 H GLN B 23 -6.412 -5.096 -0.961 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.098 -7.632 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.043 -5.314 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.595 -6.300 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.230 -7.205 -4.216 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.887 -6.530 -5.118 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -3.923 -7.816 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -3.902 -9.530 -4.934 1.00 0.00 H new ATOM 897 N ASN B 24 -4.160 -7.393 -0.484 1.00 0.00 N ATOM 898 CA ASN B 24 -3.069 -8.178 0.089 1.00 0.00 C ATOM 899 C ASN B 24 -3.608 -9.171 1.115 1.00 0.00 C ATOM 900 O ASN B 24 -3.093 -10.280 1.257 1.00 0.00 O ATOM 901 CB ASN B 24 -2.052 -7.261 0.771 1.00 0.00 C ATOM 902 CG ASN B 24 -1.456 -6.302 -0.257 1.00 0.00 C ATOM 903 OD1 ASN B 24 -2.033 -6.082 -1.323 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.323 -5.710 0.004 1.00 0.00 N ATOM 0 H ASN B 24 -4.100 -6.389 -0.312 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.583 -8.721 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.533 -6.699 1.571 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.262 -7.855 1.230 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.084 -5.066 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.156 -5.891 0.886 1.00 0.00 H new ATOM 911 N ALA B 25 -4.652 -8.759 1.828 1.00 0.00 N ATOM 912 CA ALA B 25 -5.258 -9.621 2.840 1.00 0.00 C ATOM 913 C ALA B 25 -5.926 -10.825 2.183 1.00 0.00 C ATOM 914 O ALA B 25 -5.966 -11.918 2.751 1.00 0.00 O ATOM 915 CB ALA B 25 -6.303 -8.849 3.646 1.00 0.00 C ATOM 0 H ALA B 25 -5.093 -7.845 1.727 1.00 0.00 H new ATOM 0 HA ALA B 25 -4.467 -9.963 3.507 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.744 -9.507 4.395 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.828 -8.002 4.141 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -7.084 -8.487 2.977 1.00 0.00 H new ATOM 921 N LEU B 26 -6.450 -10.613 0.980 1.00 0.00 N ATOM 922 CA LEU B 26 -7.117 -11.688 0.250 1.00 0.00 C ATOM 923 C LEU B 26 -6.095 -12.726 -0.213 1.00 0.00 C ATOM 924 O LEU B 26 -6.346 -13.930 -0.163 1.00 0.00 O ATOM 925 CB LEU B 26 -7.863 -11.124 -0.972 1.00 0.00 C ATOM 926 CG LEU B 26 -9.375 -11.061 -0.695 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.919 -12.470 -0.423 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.642 -10.158 0.516 1.00 0.00 C ATOM 0 H LEU B 26 -6.427 -9.717 0.493 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.835 -12.162 0.919 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.488 -10.128 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.672 -11.750 -1.843 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.880 -10.649 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.990 -12.415 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.740 -13.103 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.414 -12.894 0.445 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.714 -10.116 0.709 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.131 -10.562 1.390 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.271 -9.154 0.310 1.00 0.00 H new ATOM 940 N LEU B 27 -4.941 -12.241 -0.665 1.00 0.00 N ATOM 941 CA LEU B 27 -3.885 -13.134 -1.135 1.00 0.00 C ATOM 942 C LEU B 27 -3.403 -14.030 0.002 1.00 0.00 C ATOM 943 O LEU B 27 -3.390 -15.255 -0.119 1.00 0.00 O ATOM 944 CB LEU B 27 -2.701 -12.327 -1.670 1.00 0.00 C ATOM 945 CG LEU B 27 -3.032 -11.799 -3.067 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.222 -10.530 -3.339 1.00 0.00 C ATOM 947 CD2 LEU B 27 -2.678 -12.862 -4.109 1.00 0.00 C ATOM 0 H LEU B 27 -4.715 -11.248 -0.716 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.295 -13.750 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.480 -11.497 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.809 -12.952 -1.708 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.096 -11.570 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.458 -10.154 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.472 -9.772 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.158 -10.758 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.913 -12.487 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -1.614 -13.090 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.254 -13.767 -3.916 1.00 0.00 H new ATOM 959 N GLU B 28 -3.008 -13.402 1.106 1.00 0.00 N ATOM 960 CA GLU B 28 -2.524 -14.145 2.270 1.00 0.00 C ATOM 961 C GLU B 28 -3.593 -15.115 2.772 1.00 0.00 C ATOM 962 O GLU B 28 -3.304 -16.267 3.094 1.00 0.00 O ATOM 963 CB GLU B 28 -2.154 -13.178 3.397 1.00 0.00 C ATOM 964 CG GLU B 28 -1.504 -13.948 4.551 1.00 0.00 C ATOM 965 CD GLU B 28 0.014 -13.860 4.436 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.566 -14.559 3.602 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.601 -13.096 5.183 1.00 0.00 O ATOM 0 H GLU B 28 -3.012 -12.389 1.221 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.642 -14.710 1.969 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.469 -12.417 3.025 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -3.045 -12.659 3.750 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.831 -13.536 5.506 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.820 -14.991 4.529 1.00 0.00 H new ATOM 974 N GLN B 29 -4.832 -14.630 2.839 1.00 0.00 N ATOM 975 CA GLN B 29 -5.949 -15.454 3.307 1.00 0.00 C ATOM 976 C GLN B 29 -6.041 -16.753 2.505 1.00 0.00 C ATOM 977 O GLN B 29 -6.302 -17.822 3.055 1.00 0.00 O ATOM 978 CB GLN B 29 -7.270 -14.693 3.169 1.00 0.00 C ATOM 979 CG GLN B 29 -8.380 -15.460 3.888 1.00 0.00 C ATOM 980 CD GLN B 29 -8.288 -15.198 5.389 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.434 -15.762 6.073 1.00 0.00 O ATOM 982 NE2 GLN B 29 -9.128 -14.369 5.946 1.00 0.00 N ATOM 0 H GLN B 29 -5.088 -13.678 2.578 1.00 0.00 H new ATOM 0 HA GLN B 29 -5.769 -15.690 4.356 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -7.172 -13.693 3.592 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.522 -14.570 2.116 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -9.355 -15.148 3.512 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -8.288 -16.527 3.688 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.835 -13.902 5.379 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.077 -14.188 6.949 1.00 0.00 H new ATOM 991 N GLN B 30 -5.815 -16.645 1.198 1.00 0.00 N ATOM 992 CA GLN B 30 -5.863 -17.818 0.329 1.00 0.00 C ATOM 993 C GLN B 30 -4.602 -18.655 0.508 1.00 0.00 C ATOM 994 O GLN B 30 -4.634 -19.883 0.417 1.00 0.00 O ATOM 995 CB GLN B 30 -5.981 -17.394 -1.136 1.00 0.00 C ATOM 996 CG GLN B 30 -7.380 -16.835 -1.398 1.00 0.00 C ATOM 997 CD GLN B 30 -8.395 -17.973 -1.383 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.547 -18.691 -2.372 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.105 -18.184 -0.309 1.00 0.00 N ATOM 0 H GLN B 30 -5.599 -15.769 0.722 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.736 -18.410 0.603 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.228 -16.641 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.791 -18.247 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.636 -16.096 -0.639 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.405 -16.325 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.979 -17.590 0.510 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.786 -18.943 -0.289 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.489 -17.973 0.768 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.213 -18.654 0.966 1.00 0.00 C ATOM 1010 C VAL B 31 -2.210 -19.391 2.305 1.00 0.00 C ATOM 1011 O VAL B 31 -1.595 -20.448 2.446 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.063 -17.637 0.941 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.280 -18.366 1.052 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.106 -16.849 -0.374 1.00 0.00 C ATOM 0 H VAL B 31 -3.445 -16.957 0.846 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.076 -19.374 0.159 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.172 -16.953 1.783 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.091 -17.639 1.034 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.315 -18.925 1.987 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.391 -19.054 0.214 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.290 -16.127 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.001 -17.536 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.058 -16.323 -0.452 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.908 -18.821 3.283 1.00 0.00 N ATOM 1025 CA ARG B 32 -2.984 -19.431 4.609 1.00 0.00 C ATOM 1026 C ARG B 32 -3.812 -20.710 4.558 1.00 0.00 C ATOM 1027 O ARG B 32 -3.516 -21.687 5.246 1.00 0.00 O ATOM 1028 CB ARG B 32 -3.620 -18.463 5.607 1.00 0.00 C ATOM 1029 CG ARG B 32 -2.530 -17.605 6.255 1.00 0.00 C ATOM 1030 CD ARG B 32 -2.083 -18.251 7.568 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.731 -17.226 8.553 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.569 -16.559 8.505 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.314 -16.799 7.564 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.309 -15.657 9.410 1.00 0.00 N ATOM 0 H ARG B 32 -3.424 -17.947 3.186 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.970 -19.667 4.931 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -4.345 -17.826 5.100 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -4.163 -19.018 6.372 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.681 -17.506 5.579 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -2.907 -16.600 6.442 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.882 -18.881 7.960 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.225 -18.899 7.387 1.00 0.00 H new ATOM 0 HE ARG B 32 -2.392 -17.013 9.300 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.122 -17.504 6.852 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.192 -16.281 7.545 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.987 -15.464 10.147 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.573 -15.145 9.381 1.00 0.00 H new ATOM 1048 N ALA B 33 -4.858 -20.692 3.736 1.00 0.00 N ATOM 1049 CA ALA B 33 -5.730 -21.855 3.600 1.00 0.00 C ATOM 1050 C ALA B 33 -4.947 -23.045 3.055 1.00 0.00 C ATOM 1051 O ALA B 33 -5.192 -24.193 3.429 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.892 -21.549 2.654 1.00 0.00 C ATOM 0 H ALA B 33 -5.121 -19.893 3.159 1.00 0.00 H new ATOM 0 HA ALA B 33 -6.123 -22.097 4.588 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -7.530 -22.428 2.566 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -7.474 -20.716 3.050 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.501 -21.284 1.671 1.00 0.00 H new ATOM 1058 N LEU B 34 -4.000 -22.757 2.166 1.00 0.00 N ATOM 1059 CA LEU B 34 -3.182 -23.811 1.571 1.00 0.00 C ATOM 1060 C LEU B 34 -1.915 -24.026 2.394 1.00 0.00 C ATOM 1061 O LEU B 34 -1.730 -25.078 3.006 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.793 -23.439 0.132 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.771 -24.074 -0.871 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -3.716 -25.605 -0.766 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.198 -23.581 -0.586 1.00 0.00 C ATOM 0 H LEU B 34 -3.781 -21.814 1.844 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.767 -24.731 1.560 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.797 -22.355 0.016 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.778 -23.778 -0.076 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.484 -23.781 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.412 -26.044 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.705 -25.949 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.991 -25.911 0.243 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.888 -24.033 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.485 -23.864 0.427 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.234 -22.496 -0.684 1.00 0.00 H new HETATM 1077 N NH2 B 35 -1.020 -23.078 2.446 1.00 0.00 N TER 1080 NH2 B 35