USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 180:sc= -0.166 USER MOD Set 1.2: A 40 ASN : amide:sc= -1.46 K(o=-0.82,f=-7.5!) USER MOD Set 1.3: A 59 GLN :FLIP amide:sc= 0.804 F(o=-4.1,f=-0.82) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.659 X(o=-0.66,f=-0.9) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 5 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-6.4!) USER MOD Single : A 6 HIS : no HE2:sc= -0.376 K(o=-0.38,f=-6.5!) USER MOD Single : A 7 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-3.3!) USER MOD Single : A 8 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Single : A 9 MET CE :methyl 165:sc= -0.0111 (180deg=-0.468) USER MOD Single : A 16 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.8!) USER MOD Single : A 20 HIS : no HD1:sc= -3.02! C(o=-3!,f=-4.6!) USER MOD Single : A 21 THR OG1 : rot -100:sc= -1.91 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc=-0.00376 (180deg=-0.00376) USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.387 USER MOD Single : A 31 SER OG : rot 180:sc= -0.468 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 39 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.229 (180deg=-1.24!) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.89! C(o=-7.2!,f=-1.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -3.24! C(o=-6!,f=-3.2!) USER MOD Single : A 51 GLN : amide:sc= -3.93! C(o=-3.9!,f=-3.9!) USER MOD Single : A 52 ASN : amide:sc= -4.93! C(o=-4.9!,f=-7.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0809 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 169:sc= 0 (180deg=-0.112) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -2.73 K(o=-2.7,f=-6.3!) USER MOD Single : A 75 SER OG : rot 107:sc= 0.874 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 81 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.796) USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= -0.093 (180deg=-0.667) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 62:sc= 0.391 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.482 29.245 1.464 1.00 1.00 N ATOM 2 CA MET A 1 6.309 29.787 2.206 1.00 1.00 C ATOM 3 C MET A 1 5.356 28.648 2.548 1.00 1.00 C ATOM 4 O MET A 1 4.217 28.618 2.085 1.00 1.00 O ATOM 5 CB MET A 1 5.593 30.825 1.338 1.00 1.00 C ATOM 6 CG MET A 1 4.648 31.655 2.208 1.00 1.00 C ATOM 7 SD MET A 1 5.615 32.781 3.243 1.00 1.00 S ATOM 8 CE MET A 1 4.325 34.026 3.491 1.00 1.00 C ATOM 0 H1 MET A 1 8.133 30.021 1.230 1.00 1.00 H new ATOM 0 H2 MET A 1 7.975 28.546 2.056 1.00 1.00 H new ATOM 0 H3 MET A 1 7.158 28.789 0.587 1.00 1.00 H new ATOM 0 HA MET A 1 6.644 30.262 3.128 1.00 1.00 H new ATOM 0 HB2 MET A 1 6.322 31.474 0.853 1.00 1.00 H new ATOM 0 HB3 MET A 1 5.033 30.328 0.546 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.961 32.221 1.579 1.00 1.00 H new ATOM 0 HG3 MET A 1 4.042 30.999 2.833 1.00 1.00 H new ATOM 0 HE1 MET A 1 4.712 34.831 4.115 1.00 1.00 H new ATOM 0 HE2 MET A 1 4.019 34.430 2.526 1.00 1.00 H new ATOM 0 HE3 MET A 1 3.466 33.567 3.981 1.00 1.00 H new ATOM 20 N GLY A 2 5.830 27.710 3.363 1.00 1.00 N ATOM 21 CA GLY A 2 5.010 26.572 3.760 1.00 1.00 C ATOM 22 C GLY A 2 5.248 25.381 2.839 1.00 1.00 C ATOM 23 O GLY A 2 4.720 25.326 1.728 1.00 1.00 O ATOM 0 H GLY A 2 6.770 27.715 3.758 1.00 1.00 H new ATOM 0 HA2 GLY A 2 5.241 26.293 4.788 1.00 1.00 H new ATOM 0 HA3 GLY A 2 3.957 26.851 3.735 1.00 1.00 H new ATOM 27 N HIS A 3 6.046 24.427 3.308 1.00 1.00 N ATOM 28 CA HIS A 3 6.348 23.240 2.518 1.00 1.00 C ATOM 29 C HIS A 3 5.162 22.281 2.514 1.00 1.00 C ATOM 30 O HIS A 3 5.140 21.302 3.260 1.00 1.00 O ATOM 31 CB HIS A 3 7.578 22.531 3.087 1.00 1.00 C ATOM 32 CG HIS A 3 7.697 22.835 4.556 1.00 1.00 C ATOM 33 ND1 HIS A 3 6.869 22.249 5.502 1.00 1.00 N ATOM 34 CD2 HIS A 3 8.541 23.661 5.256 1.00 1.00 C ATOM 35 CE1 HIS A 3 7.230 22.727 6.707 1.00 1.00 C ATOM 36 NE2 HIS A 3 8.244 23.591 6.613 1.00 1.00 N ATOM 0 H HIS A 3 6.492 24.452 4.225 1.00 1.00 H new ATOM 0 HA HIS A 3 6.551 23.552 1.494 1.00 1.00 H new ATOM 0 HB2 HIS A 3 7.495 21.455 2.933 1.00 1.00 H new ATOM 0 HB3 HIS A 3 8.475 22.860 2.563 1.00 1.00 H new ATOM 0 HD1 HIS A 3 6.123 21.578 5.318 1.00 1.00 H new ATOM 0 HD2 HIS A 3 9.317 24.272 4.820 1.00 1.00 H new ATOM 0 HE1 HIS A 3 6.757 22.446 7.637 1.00 1.00 H new ATOM 44 N HIS A 4 4.176 22.571 1.671 1.00 1.00 N ATOM 45 CA HIS A 4 2.990 21.728 1.580 1.00 1.00 C ATOM 46 C HIS A 4 2.379 21.509 2.961 1.00 1.00 C ATOM 47 O HIS A 4 2.099 22.465 3.684 1.00 1.00 O ATOM 48 CB HIS A 4 3.355 20.378 0.962 1.00 1.00 C ATOM 49 CG HIS A 4 3.909 20.590 -0.419 1.00 1.00 C ATOM 50 ND1 HIS A 4 5.220 20.279 -0.746 1.00 1.00 N ATOM 51 CD2 HIS A 4 3.344 21.082 -1.569 1.00 1.00 C ATOM 52 CE1 HIS A 4 5.398 20.583 -2.044 1.00 1.00 C ATOM 53 NE2 HIS A 4 4.287 21.078 -2.594 1.00 1.00 N ATOM 0 H HIS A 4 4.174 23.377 1.046 1.00 1.00 H new ATOM 0 HA HIS A 4 2.258 22.231 0.948 1.00 1.00 H new ATOM 0 HB2 HIS A 4 4.089 19.868 1.585 1.00 1.00 H new ATOM 0 HB3 HIS A 4 2.475 19.737 0.917 1.00 1.00 H new ATOM 0 HD2 HIS A 4 2.323 21.421 -1.665 1.00 1.00 H new ATOM 0 HE1 HIS A 4 6.327 20.444 -2.577 1.00 1.00 H new ATOM 0 HE2 HIS A 4 4.157 21.387 -3.557 1.00 1.00 H new ATOM 61 N HIS A 5 2.179 20.246 3.319 1.00 1.00 N ATOM 62 CA HIS A 5 1.602 19.913 4.617 1.00 1.00 C ATOM 63 C HIS A 5 1.522 18.400 4.795 1.00 1.00 C ATOM 64 O HIS A 5 1.830 17.875 5.865 1.00 1.00 O ATOM 65 CB HIS A 5 0.201 20.518 4.737 1.00 1.00 C ATOM 66 CG HIS A 5 -0.728 19.510 5.355 1.00 1.00 C ATOM 67 ND1 HIS A 5 -1.203 18.414 4.652 1.00 1.00 N ATOM 68 CD2 HIS A 5 -1.281 19.420 6.609 1.00 1.00 C ATOM 69 CE1 HIS A 5 -2.003 17.717 5.481 1.00 1.00 C ATOM 70 NE2 HIS A 5 -2.084 18.286 6.686 1.00 1.00 N ATOM 0 H HIS A 5 2.405 19.441 2.735 1.00 1.00 H new ATOM 0 HA HIS A 5 2.243 20.326 5.396 1.00 1.00 H new ATOM 0 HB2 HIS A 5 0.234 21.421 5.347 1.00 1.00 H new ATOM 0 HB3 HIS A 5 -0.166 20.812 3.753 1.00 1.00 H new ATOM 0 HD2 HIS A 5 -1.118 20.122 7.413 1.00 1.00 H new ATOM 0 HE1 HIS A 5 -2.517 16.808 5.205 1.00 1.00 H new ATOM 0 HE2 HIS A 5 -2.620 17.960 7.490 1.00 1.00 H new ATOM 78 N HIS A 6 1.106 17.707 3.741 1.00 1.00 N ATOM 79 CA HIS A 6 0.988 16.254 3.793 1.00 1.00 C ATOM 80 C HIS A 6 2.359 15.601 3.632 1.00 1.00 C ATOM 81 O HIS A 6 2.519 14.657 2.859 1.00 1.00 O ATOM 82 CB HIS A 6 0.056 15.766 2.683 1.00 1.00 C ATOM 83 CG HIS A 6 0.541 16.281 1.357 1.00 1.00 C ATOM 84 ND1 HIS A 6 1.741 15.870 0.797 1.00 1.00 N ATOM 85 CD2 HIS A 6 -0.001 17.173 0.465 1.00 1.00 C ATOM 86 CE1 HIS A 6 1.881 16.508 -0.379 1.00 1.00 C ATOM 87 NE2 HIS A 6 0.846 17.315 -0.630 1.00 1.00 N ATOM 0 H HIS A 6 0.847 18.123 2.847 1.00 1.00 H new ATOM 0 HA HIS A 6 0.575 15.975 4.762 1.00 1.00 H new ATOM 0 HB2 HIS A 6 0.025 14.676 2.673 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -0.961 16.112 2.869 1.00 1.00 H new ATOM 0 HD1 HIS A 6 2.399 15.204 1.203 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -0.942 17.687 0.594 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.726 16.383 -1.039 1.00 1.00 H new ATOM 95 N HIS A 7 3.341 16.110 4.368 1.00 1.00 N ATOM 96 CA HIS A 7 4.694 15.570 4.298 1.00 1.00 C ATOM 97 C HIS A 7 4.856 14.405 5.272 1.00 1.00 C ATOM 98 O HIS A 7 5.697 13.530 5.072 1.00 1.00 O ATOM 99 CB HIS A 7 5.711 16.661 4.632 1.00 1.00 C ATOM 100 CG HIS A 7 7.092 16.187 4.272 1.00 1.00 C ATOM 101 ND1 HIS A 7 7.729 15.169 4.962 1.00 1.00 N ATOM 102 CD2 HIS A 7 7.971 16.584 3.294 1.00 1.00 C ATOM 103 CE1 HIS A 7 8.936 14.987 4.396 1.00 1.00 C ATOM 104 NE2 HIS A 7 9.134 15.824 3.376 1.00 1.00 N ATOM 0 H HIS A 7 3.227 16.890 5.015 1.00 1.00 H new ATOM 0 HA HIS A 7 4.869 15.210 3.284 1.00 1.00 H new ATOM 0 HB2 HIS A 7 5.474 17.574 4.085 1.00 1.00 H new ATOM 0 HB3 HIS A 7 5.664 16.904 5.693 1.00 1.00 H new ATOM 0 HD1 HIS A 7 7.351 14.651 5.755 1.00 1.00 H new ATOM 0 HD2 HIS A 7 7.788 17.366 2.572 1.00 1.00 H new ATOM 0 HE1 HIS A 7 9.656 14.253 4.727 1.00 1.00 H new ATOM 112 N HIS A 8 4.044 14.403 6.325 1.00 1.00 N ATOM 113 CA HIS A 8 4.107 13.341 7.322 1.00 1.00 C ATOM 114 C HIS A 8 3.491 12.057 6.777 1.00 1.00 C ATOM 115 O HIS A 8 3.951 10.958 7.085 1.00 1.00 O ATOM 116 CB HIS A 8 3.363 13.770 8.589 1.00 1.00 C ATOM 117 CG HIS A 8 1.881 13.662 8.362 1.00 1.00 C ATOM 118 ND1 HIS A 8 1.151 12.551 8.756 1.00 1.00 N ATOM 119 CD2 HIS A 8 0.976 14.518 7.785 1.00 1.00 C ATOM 120 CE1 HIS A 8 -0.132 12.766 8.415 1.00 1.00 C ATOM 121 NE2 HIS A 8 -0.295 13.950 7.818 1.00 1.00 N ATOM 0 H HIS A 8 3.341 15.118 6.509 1.00 1.00 H new ATOM 0 HA HIS A 8 5.154 13.154 7.561 1.00 1.00 H new ATOM 0 HB2 HIS A 8 3.660 13.141 9.428 1.00 1.00 H new ATOM 0 HB3 HIS A 8 3.628 14.795 8.850 1.00 1.00 H new ATOM 0 HD2 HIS A 8 1.214 15.486 7.368 1.00 1.00 H new ATOM 0 HE1 HIS A 8 -0.933 12.066 8.601 1.00 1.00 H new ATOM 0 HE2 HIS A 8 -1.163 14.351 7.463 1.00 1.00 H new ATOM 129 N MET A 9 2.447 12.205 5.967 1.00 1.00 N ATOM 130 CA MET A 9 1.774 11.049 5.384 1.00 1.00 C ATOM 131 C MET A 9 2.182 10.871 3.927 1.00 1.00 C ATOM 132 O MET A 9 1.860 11.697 3.073 1.00 1.00 O ATOM 133 CB MET A 9 0.258 11.230 5.474 1.00 1.00 C ATOM 134 CG MET A 9 -0.435 10.283 4.491 1.00 1.00 C ATOM 135 SD MET A 9 -2.167 10.077 4.973 1.00 1.00 S ATOM 136 CE MET A 9 -2.700 11.774 4.640 1.00 1.00 C ATOM 0 H MET A 9 2.051 13.107 5.701 1.00 1.00 H new ATOM 0 HA MET A 9 2.068 10.160 5.942 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.082 11.028 6.490 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.009 12.263 5.248 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.373 10.683 3.479 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.069 9.317 4.483 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.789 11.815 4.613 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.332 12.432 5.427 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.301 12.099 3.679 1.00 1.00 H new ATOM 146 N ASP A 10 2.893 9.784 3.652 1.00 1.00 N ATOM 147 CA ASP A 10 3.342 9.498 2.294 1.00 1.00 C ATOM 148 C ASP A 10 3.812 8.053 2.181 1.00 1.00 C ATOM 149 O ASP A 10 4.698 7.738 1.384 1.00 1.00 O ATOM 150 CB ASP A 10 4.485 10.440 1.913 1.00 1.00 C ATOM 151 CG ASP A 10 5.650 10.266 2.883 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.451 9.641 3.911 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.725 10.759 2.581 1.00 1.00 O ATOM 0 H ASP A 10 3.170 9.090 4.346 1.00 1.00 H new ATOM 0 HA ASP A 10 2.504 9.651 1.613 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.815 10.232 0.895 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.137 11.473 1.931 1.00 1.00 H new ATOM 158 N THR A 11 3.215 7.179 2.982 1.00 1.00 N ATOM 159 CA THR A 11 3.580 5.767 2.967 1.00 1.00 C ATOM 160 C THR A 11 2.399 4.909 3.408 1.00 1.00 C ATOM 161 O THR A 11 1.690 5.251 4.354 1.00 1.00 O ATOM 162 CB THR A 11 4.769 5.531 3.905 1.00 1.00 C ATOM 163 OG1 THR A 11 5.849 6.368 3.515 1.00 1.00 O ATOM 164 CG2 THR A 11 5.206 4.067 3.835 1.00 1.00 C ATOM 0 H THR A 11 2.480 7.421 3.647 1.00 1.00 H new ATOM 0 HA THR A 11 3.858 5.487 1.951 1.00 1.00 H new ATOM 0 HB THR A 11 4.473 5.766 4.927 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.610 6.220 4.114 1.00 1.00 H new ATOM 0 HG21 THR A 11 6.051 3.907 4.504 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.378 3.425 4.137 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.500 3.824 2.814 1.00 1.00 H new ATOM 172 N ILE A 12 2.196 3.794 2.715 1.00 1.00 N ATOM 173 CA ILE A 12 1.101 2.886 3.037 1.00 1.00 C ATOM 174 C ILE A 12 1.638 1.622 3.700 1.00 1.00 C ATOM 175 O ILE A 12 2.819 1.298 3.573 1.00 1.00 O ATOM 176 CB ILE A 12 0.346 2.509 1.758 1.00 1.00 C ATOM 177 CG1 ILE A 12 -0.008 3.776 0.967 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.936 1.751 2.114 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.725 4.784 1.871 1.00 1.00 C ATOM 0 H ILE A 12 2.774 3.498 1.928 1.00 1.00 H new ATOM 0 HA ILE A 12 0.423 3.389 3.727 1.00 1.00 H new ATOM 0 HB ILE A 12 0.983 1.870 1.146 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.898 4.223 0.559 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -0.645 3.519 0.121 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.468 1.486 1.200 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -0.682 0.844 2.662 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.572 2.383 2.734 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.970 5.678 1.297 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -1.642 4.338 2.258 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.074 5.054 2.703 1.00 1.00 H new ATOM 191 N ILE A 13 0.763 0.911 4.400 1.00 1.00 N ATOM 192 CA ILE A 13 1.164 -0.321 5.071 1.00 1.00 C ATOM 193 C ILE A 13 0.052 -1.362 4.986 1.00 1.00 C ATOM 194 O ILE A 13 -1.076 -1.120 5.413 1.00 1.00 O ATOM 195 CB ILE A 13 1.525 -0.040 6.537 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.471 -1.133 7.040 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.264 -0.026 7.410 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.739 -0.932 8.533 1.00 1.00 C ATOM 0 H ILE A 13 -0.219 1.162 4.518 1.00 1.00 H new ATOM 0 HA ILE A 13 2.046 -0.717 4.567 1.00 1.00 H new ATOM 0 HB ILE A 13 2.007 0.935 6.599 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.032 -2.116 6.868 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.408 -1.101 6.484 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.540 0.175 8.445 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.414 0.752 7.058 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.232 -0.995 7.348 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.413 -1.711 8.890 1.00 1.00 H new ATOM 0 HD12 ILE A 13 3.197 0.044 8.692 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.799 -0.986 9.082 1.00 1.00 H new ATOM 210 N LEU A 14 0.378 -2.518 4.422 1.00 1.00 N ATOM 211 CA LEU A 14 -0.598 -3.590 4.277 1.00 1.00 C ATOM 212 C LEU A 14 -0.793 -4.320 5.602 1.00 1.00 C ATOM 213 O LEU A 14 0.145 -4.460 6.387 1.00 1.00 O ATOM 214 CB LEU A 14 -0.127 -4.577 3.209 1.00 1.00 C ATOM 215 CG LEU A 14 0.464 -3.807 2.027 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.734 -4.772 0.872 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.526 -2.732 1.573 1.00 1.00 C ATOM 0 H LEU A 14 1.306 -2.737 4.059 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.551 -3.155 3.975 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.620 -5.252 3.627 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.962 -5.193 2.875 1.00 1.00 H new ATOM 0 HG LEU A 14 1.398 -3.336 2.332 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.155 -4.223 0.030 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.439 -5.538 1.195 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.200 -5.244 0.567 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.106 -2.183 0.731 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.461 -3.203 1.269 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.718 -2.043 2.396 1.00 1.00 H new ATOM 229 N ARG A 15 -2.019 -4.779 5.840 1.00 1.00 N ATOM 230 CA ARG A 15 -2.341 -5.491 7.070 1.00 1.00 C ATOM 231 C ARG A 15 -2.969 -6.842 6.751 1.00 1.00 C ATOM 232 O ARG A 15 -3.657 -6.990 5.743 1.00 1.00 O ATOM 233 CB ARG A 15 -3.310 -4.646 7.907 1.00 1.00 C ATOM 234 CG ARG A 15 -4.149 -5.539 8.827 1.00 1.00 C ATOM 235 CD ARG A 15 -4.781 -4.683 9.928 1.00 1.00 C ATOM 236 NE ARG A 15 -3.944 -4.706 11.122 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.797 -5.818 11.836 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.429 -6.907 11.488 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.021 -5.823 12.886 1.00 1.00 N ATOM 0 H ARG A 15 -2.804 -4.670 5.197 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.425 -5.661 7.635 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.751 -3.925 8.503 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.965 -4.076 7.249 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.926 -6.044 8.253 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.524 -6.315 9.268 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.901 -3.658 9.578 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.777 -5.058 10.165 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.463 -3.855 11.414 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.036 -6.905 10.668 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.316 -7.760 12.036 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.527 -4.973 13.159 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -2.909 -6.676 13.433 1.00 1.00 H new ATOM 253 N ASN A 16 -2.725 -7.816 7.624 1.00 1.00 N ATOM 254 CA ASN A 16 -3.267 -9.160 7.452 1.00 1.00 C ATOM 255 C ASN A 16 -2.596 -9.885 6.290 1.00 1.00 C ATOM 256 O ASN A 16 -3.259 -10.297 5.338 1.00 1.00 O ATOM 257 CB ASN A 16 -4.775 -9.084 7.214 1.00 1.00 C ATOM 258 CG ASN A 16 -5.424 -10.428 7.516 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.032 -11.113 8.462 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.398 -10.852 6.758 1.00 1.00 N ATOM 0 H ASN A 16 -2.153 -7.698 8.460 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.067 -9.724 8.363 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.212 -8.311 7.846 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.973 -8.800 6.180 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.837 -11.753 6.948 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.720 -10.283 5.976 1.00 1.00 H new ATOM 267 N ILE A 17 -1.278 -10.049 6.378 1.00 1.00 N ATOM 268 CA ILE A 17 -0.532 -10.740 5.331 1.00 1.00 C ATOM 269 C ILE A 17 -0.289 -12.194 5.724 1.00 1.00 C ATOM 270 O ILE A 17 0.058 -12.488 6.868 1.00 1.00 O ATOM 271 CB ILE A 17 0.815 -10.048 5.099 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.601 -8.548 4.851 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.516 -10.679 3.894 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.409 -8.332 3.720 1.00 1.00 C ATOM 0 H ILE A 17 -0.709 -9.716 7.156 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.120 -10.709 4.413 1.00 1.00 H new ATOM 0 HB ILE A 17 1.438 -10.173 5.985 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.243 -8.070 5.763 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.550 -8.076 4.595 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.474 -10.185 3.731 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.682 -11.739 4.084 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.892 -10.562 3.008 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.549 -7.263 3.557 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.035 -8.793 2.806 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.362 -8.786 3.992 1.00 1.00 H new ATOM 286 N ALA A 18 -0.471 -13.102 4.770 1.00 1.00 N ATOM 287 CA ALA A 18 -0.265 -14.520 5.034 1.00 1.00 C ATOM 288 C ALA A 18 1.228 -14.823 5.187 1.00 1.00 C ATOM 289 O ALA A 18 2.071 -14.052 4.728 1.00 1.00 O ATOM 290 CB ALA A 18 -0.843 -15.356 3.889 1.00 1.00 C ATOM 0 H ALA A 18 -0.758 -12.883 3.816 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.776 -14.777 5.962 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.684 -16.414 4.095 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.911 -15.160 3.799 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.345 -15.089 2.957 1.00 1.00 H new ATOM 296 N PRO A 19 1.567 -15.921 5.816 1.00 1.00 N ATOM 297 CA PRO A 19 2.992 -16.322 6.025 1.00 1.00 C ATOM 298 C PRO A 19 3.654 -16.791 4.732 1.00 1.00 C ATOM 299 O PRO A 19 4.827 -17.167 4.725 1.00 1.00 O ATOM 300 CB PRO A 19 2.899 -17.473 7.030 1.00 1.00 C ATOM 301 CG PRO A 19 1.538 -18.053 6.839 1.00 1.00 C ATOM 302 CD PRO A 19 0.634 -16.902 6.398 1.00 1.00 C ATOM 0 HA PRO A 19 3.603 -15.489 6.373 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.673 -18.218 6.847 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.035 -17.116 8.051 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.555 -18.843 6.088 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.174 -18.500 7.764 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.105 -17.232 5.668 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.085 -16.480 7.240 1.00 1.00 H new ATOM 310 N HIS A 20 2.891 -16.771 3.641 1.00 1.00 N ATOM 311 CA HIS A 20 3.406 -17.201 2.343 1.00 1.00 C ATOM 312 C HIS A 20 3.439 -16.033 1.363 1.00 1.00 C ATOM 313 O HIS A 20 3.307 -16.221 0.154 1.00 1.00 O ATOM 314 CB HIS A 20 2.516 -18.311 1.779 1.00 1.00 C ATOM 315 CG HIS A 20 3.104 -18.822 0.493 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.342 -18.405 0.025 1.00 1.00 N ATOM 317 CD2 HIS A 20 2.634 -19.715 -0.438 1.00 1.00 C ATOM 318 CE1 HIS A 20 4.571 -19.041 -1.137 1.00 1.00 C ATOM 319 NE2 HIS A 20 3.562 -19.852 -1.466 1.00 1.00 N ATOM 0 H HIS A 20 1.919 -16.463 3.630 1.00 1.00 H new ATOM 0 HA HIS A 20 4.421 -17.574 2.480 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.430 -19.124 2.500 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.509 -17.931 1.605 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.688 -20.233 -0.381 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.463 -18.912 -1.732 1.00 1.00 H new ATOM 0 HE2 HIS A 20 3.488 -20.444 -2.293 1.00 1.00 H new ATOM 327 N THR A 21 3.616 -14.828 1.891 1.00 1.00 N ATOM 328 CA THR A 21 3.662 -13.640 1.046 1.00 1.00 C ATOM 329 C THR A 21 5.082 -13.387 0.550 1.00 1.00 C ATOM 330 O THR A 21 6.050 -13.551 1.294 1.00 1.00 O ATOM 331 CB THR A 21 3.168 -12.421 1.828 1.00 1.00 C ATOM 332 OG1 THR A 21 1.748 -12.412 1.833 1.00 1.00 O ATOM 333 CG2 THR A 21 3.688 -11.143 1.167 1.00 1.00 C ATOM 0 H THR A 21 3.729 -14.648 2.889 1.00 1.00 H new ATOM 0 HA THR A 21 3.014 -13.806 0.186 1.00 1.00 H new ATOM 0 HB THR A 21 3.536 -12.470 2.853 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.422 -11.782 1.156 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.335 -10.275 1.725 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.778 -11.153 1.163 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.322 -11.089 0.142 1.00 1.00 H new ATOM 341 N VAL A 22 5.197 -12.983 -0.711 1.00 1.00 N ATOM 342 CA VAL A 22 6.501 -12.704 -1.301 1.00 1.00 C ATOM 343 C VAL A 22 6.460 -11.398 -2.087 1.00 1.00 C ATOM 344 O VAL A 22 5.466 -11.088 -2.742 1.00 1.00 O ATOM 345 CB VAL A 22 6.913 -13.849 -2.226 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.971 -14.710 -1.534 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.690 -14.709 -2.549 1.00 1.00 C ATOM 0 H VAL A 22 4.407 -12.842 -1.341 1.00 1.00 H new ATOM 0 HA VAL A 22 7.232 -12.610 -0.498 1.00 1.00 H new ATOM 0 HB VAL A 22 7.324 -13.439 -3.148 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.264 -15.526 -2.194 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.843 -14.099 -1.303 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.560 -15.119 -0.611 1.00 1.00 H new ATOM 0 HG21 VAL A 22 5.983 -15.526 -3.209 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.279 -15.118 -1.626 1.00 1.00 H new ATOM 0 HG23 VAL A 22 4.935 -14.097 -3.043 1.00 1.00 H new ATOM 357 N VAL A 23 7.547 -10.636 -2.016 1.00 1.00 N ATOM 358 CA VAL A 23 7.622 -9.365 -2.726 1.00 1.00 C ATOM 359 C VAL A 23 7.272 -9.549 -4.198 1.00 1.00 C ATOM 360 O VAL A 23 6.895 -8.596 -4.880 1.00 1.00 O ATOM 361 CB VAL A 23 9.031 -8.783 -2.603 1.00 1.00 C ATOM 362 CG1 VAL A 23 8.948 -7.263 -2.466 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.717 -9.367 -1.366 1.00 1.00 C ATOM 0 H VAL A 23 8.381 -10.874 -1.479 1.00 1.00 H new ATOM 0 HA VAL A 23 6.903 -8.678 -2.279 1.00 1.00 H new ATOM 0 HB VAL A 23 9.606 -9.036 -3.494 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.953 -6.850 -2.378 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.459 -6.845 -3.346 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.373 -7.009 -1.576 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.721 -8.953 -1.277 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.140 -9.114 -0.476 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.779 -10.451 -1.462 1.00 1.00 H new ATOM 373 N ASP A 24 7.400 -10.780 -4.685 1.00 1.00 N ATOM 374 CA ASP A 24 7.098 -11.076 -6.080 1.00 1.00 C ATOM 375 C ASP A 24 5.632 -10.789 -6.391 1.00 1.00 C ATOM 376 O ASP A 24 5.319 -9.959 -7.243 1.00 1.00 O ATOM 377 CB ASP A 24 7.407 -12.543 -6.382 1.00 1.00 C ATOM 378 CG ASP A 24 7.500 -12.756 -7.889 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.490 -12.338 -8.466 1.00 1.00 O ATOM 380 OD2 ASP A 24 6.581 -13.335 -8.444 1.00 1.00 O ATOM 0 H ASP A 24 7.709 -11.583 -4.138 1.00 1.00 H new ATOM 0 HA ASP A 24 7.719 -10.436 -6.706 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.345 -12.831 -5.907 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.629 -13.181 -5.963 1.00 1.00 H new ATOM 385 N SER A 25 4.736 -11.487 -5.698 1.00 1.00 N ATOM 386 CA SER A 25 3.306 -11.303 -5.915 1.00 1.00 C ATOM 387 C SER A 25 2.879 -9.888 -5.538 1.00 1.00 C ATOM 388 O SER A 25 2.320 -9.160 -6.359 1.00 1.00 O ATOM 389 CB SER A 25 2.519 -12.314 -5.081 1.00 1.00 C ATOM 390 OG SER A 25 2.537 -13.576 -5.734 1.00 1.00 O ATOM 0 H SER A 25 4.973 -12.179 -4.987 1.00 1.00 H new ATOM 0 HA SER A 25 3.097 -11.460 -6.973 1.00 1.00 H new ATOM 0 HB2 SER A 25 2.955 -12.400 -4.086 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.492 -11.974 -4.950 1.00 1.00 H new ATOM 0 HG SER A 25 2.035 -14.227 -5.201 1.00 1.00 H new ATOM 396 N ILE A 26 3.142 -9.506 -4.293 1.00 1.00 N ATOM 397 CA ILE A 26 2.776 -8.176 -3.818 1.00 1.00 C ATOM 398 C ILE A 26 3.152 -7.114 -4.846 1.00 1.00 C ATOM 399 O ILE A 26 2.488 -6.083 -4.958 1.00 1.00 O ATOM 400 CB ILE A 26 3.488 -7.882 -2.496 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.874 -8.746 -1.383 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.338 -6.397 -2.150 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.693 -8.016 -0.733 1.00 1.00 C ATOM 0 H ILE A 26 3.604 -10.093 -3.599 1.00 1.00 H new ATOM 0 HA ILE A 26 1.697 -8.150 -3.666 1.00 1.00 H new ATOM 0 HB ILE A 26 4.548 -8.119 -2.591 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.540 -9.698 -1.795 1.00 1.00 H new ATOM 0 HG13 ILE A 26 3.629 -8.972 -0.630 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.846 -6.190 -1.208 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.781 -5.792 -2.942 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.281 -6.151 -2.054 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.268 -8.640 0.053 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.038 -7.076 -0.303 1.00 1.00 H new ATOM 0 HD13 ILE A 26 0.932 -7.813 -1.486 1.00 1.00 H new ATOM 415 N MET A 27 4.221 -7.368 -5.593 1.00 1.00 N ATOM 416 CA MET A 27 4.672 -6.421 -6.605 1.00 1.00 C ATOM 417 C MET A 27 3.807 -6.516 -7.857 1.00 1.00 C ATOM 418 O MET A 27 3.202 -5.533 -8.284 1.00 1.00 O ATOM 419 CB MET A 27 6.132 -6.700 -6.972 1.00 1.00 C ATOM 420 CG MET A 27 7.053 -6.071 -5.922 1.00 1.00 C ATOM 421 SD MET A 27 7.556 -4.421 -6.470 1.00 1.00 S ATOM 422 CE MET A 27 9.054 -4.921 -7.351 1.00 1.00 C ATOM 0 H MET A 27 4.786 -8.214 -5.518 1.00 1.00 H new ATOM 0 HA MET A 27 4.586 -5.416 -6.193 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.305 -7.775 -7.026 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.355 -6.291 -7.958 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.538 -6.006 -4.963 1.00 1.00 H new ATOM 0 HG3 MET A 27 7.931 -6.699 -5.770 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.535 -4.041 -7.778 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.739 -5.408 -6.657 1.00 1.00 H new ATOM 0 HE3 MET A 27 8.792 -5.615 -8.149 1.00 1.00 H new ATOM 432 N THR A 28 3.757 -7.707 -8.445 1.00 1.00 N ATOM 433 CA THR A 28 2.967 -7.924 -9.652 1.00 1.00 C ATOM 434 C THR A 28 1.488 -7.649 -9.394 1.00 1.00 C ATOM 435 O THR A 28 0.734 -7.347 -10.320 1.00 1.00 O ATOM 436 CB THR A 28 3.141 -9.368 -10.133 1.00 1.00 C ATOM 437 OG1 THR A 28 4.498 -9.757 -9.974 1.00 1.00 O ATOM 438 CG2 THR A 28 2.748 -9.466 -11.608 1.00 1.00 C ATOM 0 H THR A 28 4.251 -8.533 -8.108 1.00 1.00 H new ATOM 0 HA THR A 28 3.320 -7.234 -10.419 1.00 1.00 H new ATOM 0 HB THR A 28 2.503 -10.028 -9.545 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.672 -9.960 -9.031 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.872 -10.493 -11.950 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.707 -9.167 -11.728 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.385 -8.808 -12.199 1.00 1.00 H new ATOM 446 N ALA A 29 1.076 -7.764 -8.137 1.00 1.00 N ATOM 447 CA ALA A 29 -0.319 -7.534 -7.774 1.00 1.00 C ATOM 448 C ALA A 29 -0.660 -6.047 -7.831 1.00 1.00 C ATOM 449 O ALA A 29 -1.788 -5.673 -8.146 1.00 1.00 O ATOM 450 CB ALA A 29 -0.585 -8.064 -6.364 1.00 1.00 C ATOM 0 H ALA A 29 1.683 -8.013 -7.356 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.948 -8.063 -8.490 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.628 -7.889 -6.100 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.377 -9.134 -6.332 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.061 -7.548 -5.653 1.00 1.00 H new ATOM 456 N LEU A 30 0.319 -5.205 -7.517 1.00 1.00 N ATOM 457 CA LEU A 30 0.107 -3.760 -7.527 1.00 1.00 C ATOM 458 C LEU A 30 0.680 -3.132 -8.797 1.00 1.00 C ATOM 459 O LEU A 30 0.734 -1.909 -8.923 1.00 1.00 O ATOM 460 CB LEU A 30 0.768 -3.129 -6.300 1.00 1.00 C ATOM 461 CG LEU A 30 -0.078 -3.420 -5.057 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.821 -3.448 -3.820 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.136 -2.326 -4.890 1.00 1.00 C ATOM 0 H LEU A 30 1.261 -5.494 -7.254 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.967 -3.573 -7.502 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.774 -3.528 -6.170 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.868 -2.053 -6.441 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.568 -4.387 -5.173 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.218 -3.655 -2.936 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.575 -4.227 -3.936 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.312 -2.482 -3.705 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.738 -2.534 -4.005 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.645 -1.359 -4.776 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.779 -2.305 -5.770 1.00 1.00 H new ATOM 475 N SER A 31 1.117 -3.974 -9.727 1.00 1.00 N ATOM 476 CA SER A 31 1.695 -3.486 -10.978 1.00 1.00 C ATOM 477 C SER A 31 0.675 -2.695 -11.801 1.00 1.00 C ATOM 478 O SER A 31 0.951 -1.566 -12.208 1.00 1.00 O ATOM 479 CB SER A 31 2.226 -4.657 -11.805 1.00 1.00 C ATOM 480 OG SER A 31 1.674 -4.597 -13.114 1.00 1.00 O ATOM 0 H SER A 31 1.084 -4.990 -9.642 1.00 1.00 H new ATOM 0 HA SER A 31 2.516 -2.816 -10.722 1.00 1.00 H new ATOM 0 HB2 SER A 31 3.314 -4.618 -11.855 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.962 -5.602 -11.330 1.00 1.00 H new ATOM 0 HG SER A 31 2.014 -5.346 -13.647 1.00 1.00 H new ATOM 486 N PRO A 32 -0.483 -3.252 -12.064 1.00 1.00 N ATOM 487 CA PRO A 32 -1.533 -2.560 -12.867 1.00 1.00 C ATOM 488 C PRO A 32 -2.290 -1.517 -12.055 1.00 1.00 C ATOM 489 O PRO A 32 -3.158 -0.819 -12.578 1.00 1.00 O ATOM 490 CB PRO A 32 -2.457 -3.696 -13.298 1.00 1.00 C ATOM 491 CG PRO A 32 -2.325 -4.741 -12.240 1.00 1.00 C ATOM 492 CD PRO A 32 -0.928 -4.590 -11.630 1.00 1.00 C ATOM 0 HA PRO A 32 -1.110 -2.005 -13.704 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.488 -3.352 -13.384 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.169 -4.087 -14.274 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.094 -4.616 -11.477 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.455 -5.737 -12.664 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.958 -4.666 -10.543 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.253 -5.368 -11.985 1.00 1.00 H new ATOM 500 N TYR A 33 -1.955 -1.419 -10.775 1.00 1.00 N ATOM 501 CA TYR A 33 -2.611 -0.456 -9.897 1.00 1.00 C ATOM 502 C TYR A 33 -1.774 0.811 -9.758 1.00 1.00 C ATOM 503 O TYR A 33 -2.307 1.891 -9.503 1.00 1.00 O ATOM 504 CB TYR A 33 -2.838 -1.075 -8.517 1.00 1.00 C ATOM 505 CG TYR A 33 -3.937 -2.107 -8.604 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.632 -3.430 -8.945 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.263 -1.738 -8.344 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.652 -4.386 -9.025 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.283 -2.695 -8.426 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.978 -4.017 -8.765 1.00 1.00 C ATOM 511 OH TYR A 33 -6.983 -4.959 -8.844 1.00 1.00 O ATOM 0 H TYR A 33 -1.239 -1.989 -10.324 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.571 -0.192 -10.340 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.918 -1.537 -8.158 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.107 -0.301 -7.799 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.610 -3.713 -9.146 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.499 -0.717 -8.081 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.417 -5.407 -9.287 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.306 -2.411 -8.227 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.843 -4.539 -8.633 1.00 1.00 H new ATOM 521 N ALA A 34 -0.463 0.675 -9.923 1.00 1.00 N ATOM 522 CA ALA A 34 0.434 1.820 -9.808 1.00 1.00 C ATOM 523 C ALA A 34 1.871 1.408 -10.101 1.00 1.00 C ATOM 524 O ALA A 34 2.130 0.292 -10.549 1.00 1.00 O ATOM 525 CB ALA A 34 0.346 2.410 -8.401 1.00 1.00 C ATOM 0 H ALA A 34 -0.000 -0.209 -10.135 1.00 1.00 H new ATOM 0 HA ALA A 34 0.130 2.571 -10.537 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.018 3.264 -8.322 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.676 2.733 -8.205 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.633 1.654 -7.671 1.00 1.00 H new ATOM 531 N SER A 35 2.800 2.322 -9.842 1.00 1.00 N ATOM 532 CA SER A 35 4.215 2.057 -10.073 1.00 1.00 C ATOM 533 C SER A 35 4.948 1.893 -8.744 1.00 1.00 C ATOM 534 O SER A 35 4.908 2.779 -7.891 1.00 1.00 O ATOM 535 CB SER A 35 4.840 3.207 -10.862 1.00 1.00 C ATOM 536 OG SER A 35 4.069 4.384 -10.664 1.00 1.00 O ATOM 0 H SER A 35 2.599 3.251 -9.473 1.00 1.00 H new ATOM 0 HA SER A 35 4.306 1.134 -10.645 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.867 3.372 -10.536 1.00 1.00 H new ATOM 0 HB3 SER A 35 4.879 2.957 -11.922 1.00 1.00 H new ATOM 0 HG SER A 35 4.468 5.125 -11.167 1.00 1.00 H new ATOM 542 N LEU A 36 5.611 0.751 -8.578 1.00 1.00 N ATOM 543 CA LEU A 36 6.349 0.472 -7.348 1.00 1.00 C ATOM 544 C LEU A 36 7.849 0.435 -7.619 1.00 1.00 C ATOM 545 O LEU A 36 8.283 0.466 -8.772 1.00 1.00 O ATOM 546 CB LEU A 36 5.906 -0.868 -6.754 1.00 1.00 C ATOM 547 CG LEU A 36 5.032 -1.625 -7.761 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.835 -3.063 -7.281 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.666 -0.943 -7.875 1.00 1.00 C ATOM 0 H LEU A 36 5.653 0.008 -9.275 1.00 1.00 H new ATOM 0 HA LEU A 36 6.136 1.270 -6.637 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.779 -1.467 -6.496 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.350 -0.700 -5.832 1.00 1.00 H new ATOM 0 HG LEU A 36 5.522 -1.623 -8.735 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.214 -3.603 -7.995 1.00 1.00 H new ATOM 0 HD12 LEU A 36 5.804 -3.555 -7.198 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.346 -3.058 -6.307 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.048 -1.484 -8.592 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.177 -0.943 -6.901 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.799 0.084 -8.214 1.00 1.00 H new ATOM 561 N ALA A 37 8.636 0.367 -6.551 1.00 1.00 N ATOM 562 CA ALA A 37 10.088 0.323 -6.684 1.00 1.00 C ATOM 563 C ALA A 37 10.694 -0.560 -5.596 1.00 1.00 C ATOM 564 O ALA A 37 10.405 -0.389 -4.411 1.00 1.00 O ATOM 565 CB ALA A 37 10.664 1.738 -6.593 1.00 1.00 C ATOM 0 H ALA A 37 8.296 0.341 -5.590 1.00 1.00 H new ATOM 0 HA ALA A 37 10.338 -0.101 -7.657 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.749 1.696 -6.693 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.249 2.352 -7.392 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.405 2.175 -5.628 1.00 1.00 H new ATOM 571 N VAL A 38 11.528 -1.510 -6.008 1.00 1.00 N ATOM 572 CA VAL A 38 12.164 -2.424 -5.064 1.00 1.00 C ATOM 573 C VAL A 38 12.805 -1.667 -3.902 1.00 1.00 C ATOM 574 O VAL A 38 12.760 -2.120 -2.758 1.00 1.00 O ATOM 575 CB VAL A 38 13.234 -3.247 -5.781 1.00 1.00 C ATOM 576 CG1 VAL A 38 13.563 -4.491 -4.954 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.712 -3.675 -7.156 1.00 1.00 C ATOM 0 H VAL A 38 11.779 -1.667 -6.984 1.00 1.00 H new ATOM 0 HA VAL A 38 11.393 -3.082 -4.663 1.00 1.00 H new ATOM 0 HB VAL A 38 14.133 -2.643 -5.903 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.326 -5.077 -5.466 1.00 1.00 H new ATOM 0 HG12 VAL A 38 13.934 -4.189 -3.975 1.00 1.00 H new ATOM 0 HG13 VAL A 38 12.664 -5.095 -4.831 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.474 -4.262 -7.668 1.00 1.00 H new ATOM 0 HG22 VAL A 38 11.812 -4.278 -7.032 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.477 -2.790 -7.748 1.00 1.00 H new ATOM 587 N ASN A 39 13.415 -0.526 -4.202 1.00 1.00 N ATOM 588 CA ASN A 39 14.077 0.273 -3.173 1.00 1.00 C ATOM 589 C ASN A 39 13.076 1.116 -2.386 1.00 1.00 C ATOM 590 O ASN A 39 13.464 1.876 -1.498 1.00 1.00 O ATOM 591 CB ASN A 39 15.115 1.190 -3.820 1.00 1.00 C ATOM 592 CG ASN A 39 15.251 0.860 -5.303 1.00 1.00 C ATOM 593 OD1 ASN A 39 14.744 1.592 -6.152 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.908 -0.207 -5.665 1.00 1.00 N ATOM 0 H ASN A 39 13.466 -0.134 -5.142 1.00 1.00 H new ATOM 0 HA ASN A 39 14.564 -0.413 -2.479 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.819 2.232 -3.697 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.078 1.071 -3.323 1.00 1.00 H new ATOM 0 HD21 ASN A 39 16.003 -0.437 -6.654 1.00 1.00 H new ATOM 0 HD22 ASN A 39 16.327 -0.812 -4.959 1.00 1.00 H new ATOM 601 N ASN A 40 11.793 0.980 -2.715 1.00 1.00 N ATOM 602 CA ASN A 40 10.749 1.742 -2.026 1.00 1.00 C ATOM 603 C ASN A 40 9.830 0.814 -1.233 1.00 1.00 C ATOM 604 O ASN A 40 8.870 1.268 -0.609 1.00 1.00 O ATOM 605 CB ASN A 40 9.917 2.534 -3.046 1.00 1.00 C ATOM 606 CG ASN A 40 9.694 3.974 -2.588 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.921 4.312 -1.426 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.247 4.848 -3.448 1.00 1.00 N ATOM 0 H ASN A 40 11.452 0.356 -3.446 1.00 1.00 H new ATOM 0 HA ASN A 40 11.233 2.431 -1.334 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.424 2.532 -4.011 1.00 1.00 H new ATOM 0 HB3 ASN A 40 8.954 2.044 -3.191 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.085 5.812 -3.158 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.059 4.567 -4.410 1.00 1.00 H new ATOM 615 N ILE A 41 10.124 -0.483 -1.258 1.00 1.00 N ATOM 616 CA ILE A 41 9.318 -1.455 -0.537 1.00 1.00 C ATOM 617 C ILE A 41 10.210 -2.439 0.211 1.00 1.00 C ATOM 618 O ILE A 41 11.115 -3.038 -0.370 1.00 1.00 O ATOM 619 CB ILE A 41 8.413 -2.206 -1.514 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.255 -3.098 -2.432 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.637 -1.200 -2.365 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.405 -3.549 -3.621 1.00 1.00 C ATOM 0 H ILE A 41 10.912 -0.881 -1.769 1.00 1.00 H new ATOM 0 HA ILE A 41 8.700 -0.927 0.189 1.00 1.00 H new ATOM 0 HB ILE A 41 7.719 -2.827 -0.948 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.131 -2.553 -2.783 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.619 -3.965 -1.881 1.00 1.00 H new ATOM 0 HG21 ILE A 41 6.991 -1.734 -3.062 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.028 -0.569 -1.718 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.337 -0.579 -2.923 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.002 -4.184 -4.275 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.543 -4.110 -3.260 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.063 -2.675 -4.176 1.00 1.00 H new ATOM 634 N ARG A 42 9.955 -2.593 1.508 1.00 1.00 N ATOM 635 CA ARG A 42 10.743 -3.501 2.332 1.00 1.00 C ATOM 636 C ARG A 42 9.836 -4.379 3.184 1.00 1.00 C ATOM 637 O ARG A 42 8.939 -3.883 3.867 1.00 1.00 O ATOM 638 CB ARG A 42 11.680 -2.702 3.240 1.00 1.00 C ATOM 639 CG ARG A 42 12.712 -3.644 3.865 1.00 1.00 C ATOM 640 CD ARG A 42 13.652 -2.844 4.766 1.00 1.00 C ATOM 641 NE ARG A 42 14.708 -2.227 3.973 1.00 1.00 N ATOM 642 CZ ARG A 42 15.760 -2.929 3.564 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.861 -4.193 3.873 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.691 -2.354 2.853 1.00 1.00 N ATOM 0 H ARG A 42 9.213 -2.103 2.007 1.00 1.00 H new ATOM 0 HA ARG A 42 11.331 -4.139 1.672 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.183 -1.924 2.666 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.108 -2.202 4.022 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.209 -4.419 4.443 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.281 -4.147 3.083 1.00 1.00 H new ATOM 0 HD2 ARG A 42 13.091 -2.076 5.298 1.00 1.00 H new ATOM 0 HD3 ARG A 42 14.089 -3.499 5.520 1.00 1.00 H new ATOM 0 HE ARG A 42 14.638 -1.239 3.728 1.00 1.00 H new ATOM 0 HH11 ARG A 42 15.133 -4.642 4.428 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.668 -4.732 3.559 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.611 -1.366 2.611 1.00 1.00 H new ATOM 0 HH22 ARG A 42 17.498 -2.892 2.539 1.00 1.00 H new ATOM 658 N LEU A 43 10.080 -5.683 3.149 1.00 1.00 N ATOM 659 CA LEU A 43 9.281 -6.618 3.934 1.00 1.00 C ATOM 660 C LEU A 43 9.952 -6.873 5.279 1.00 1.00 C ATOM 661 O LEU A 43 11.169 -7.034 5.357 1.00 1.00 O ATOM 662 CB LEU A 43 9.125 -7.938 3.180 1.00 1.00 C ATOM 663 CG LEU A 43 7.805 -8.604 3.578 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.688 -8.121 2.651 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.944 -10.123 3.458 1.00 1.00 C ATOM 0 H LEU A 43 10.817 -6.115 2.592 1.00 1.00 H new ATOM 0 HA LEU A 43 8.295 -6.184 4.100 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.144 -7.759 2.105 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.961 -8.599 3.408 1.00 1.00 H new ATOM 0 HG LEU A 43 7.562 -8.340 4.607 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.749 -8.596 2.935 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.588 -7.039 2.735 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.931 -8.384 1.621 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.005 -10.598 3.741 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.188 -10.386 2.429 1.00 1.00 H new ATOM 0 HD23 LEU A 43 8.739 -10.469 4.119 1.00 1.00 H new ATOM 677 N ILE A 44 9.151 -6.904 6.339 1.00 1.00 N ATOM 678 CA ILE A 44 9.684 -7.136 7.675 1.00 1.00 C ATOM 679 C ILE A 44 9.825 -8.632 7.940 1.00 1.00 C ATOM 680 O ILE A 44 8.865 -9.299 8.321 1.00 1.00 O ATOM 681 CB ILE A 44 8.760 -6.506 8.718 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.330 -6.742 10.119 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.370 -7.137 8.618 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.412 -5.409 10.866 1.00 1.00 C ATOM 0 H ILE A 44 8.140 -6.773 6.300 1.00 1.00 H new ATOM 0 HA ILE A 44 10.670 -6.676 7.744 1.00 1.00 H new ATOM 0 HB ILE A 44 8.686 -5.434 8.534 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.698 -7.441 10.668 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.319 -7.194 10.050 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.712 -6.687 9.362 1.00 1.00 H new ATOM 0 HG22 ILE A 44 6.963 -6.964 7.622 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.443 -8.209 8.799 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.818 -5.575 11.864 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.062 -4.725 10.320 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.415 -4.976 10.947 1.00 1.00 H new ATOM 696 N LYS A 45 11.033 -9.149 7.733 1.00 1.00 N ATOM 697 CA LYS A 45 11.293 -10.568 7.948 1.00 1.00 C ATOM 698 C LYS A 45 12.000 -10.789 9.281 1.00 1.00 C ATOM 699 O LYS A 45 13.098 -10.278 9.502 1.00 1.00 O ATOM 700 CB LYS A 45 12.160 -11.119 6.812 1.00 1.00 C ATOM 701 CG LYS A 45 11.586 -12.454 6.333 1.00 1.00 C ATOM 702 CD LYS A 45 12.466 -13.018 5.213 1.00 1.00 C ATOM 703 CE LYS A 45 11.728 -12.904 3.878 1.00 1.00 C ATOM 704 NZ LYS A 45 12.634 -13.324 2.772 1.00 1.00 N ATOM 0 H LYS A 45 11.841 -8.611 7.419 1.00 1.00 H new ATOM 0 HA LYS A 45 10.338 -11.093 7.965 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.192 -10.408 5.987 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.185 -11.254 7.156 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.538 -13.160 7.162 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.566 -12.315 5.974 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.409 -12.473 5.167 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.710 -14.060 5.418 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.836 -13.530 3.889 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.396 -11.878 3.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.133 -13.247 1.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.473 -12.709 2.758 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.930 -14.310 2.921 1.00 1.00 H new ATOM 718 N ASP A 46 11.363 -11.556 10.162 1.00 1.00 N ATOM 719 CA ASP A 46 11.934 -11.845 11.472 1.00 1.00 C ATOM 720 C ASP A 46 12.366 -13.305 11.557 1.00 1.00 C ATOM 721 O ASP A 46 11.966 -14.128 10.734 1.00 1.00 O ATOM 722 CB ASP A 46 10.911 -11.549 12.569 1.00 1.00 C ATOM 723 CG ASP A 46 11.494 -10.561 13.575 1.00 1.00 C ATOM 724 OD1 ASP A 46 11.361 -9.370 13.349 1.00 1.00 O ATOM 725 OD2 ASP A 46 12.064 -11.012 14.555 1.00 1.00 O ATOM 0 H ASP A 46 10.454 -11.987 9.992 1.00 1.00 H new ATOM 0 HA ASP A 46 12.808 -11.209 11.613 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.002 -11.138 12.129 1.00 1.00 H new ATOM 0 HB3 ASP A 46 10.631 -12.473 13.075 1.00 1.00 H new ATOM 730 N LYS A 47 13.182 -13.620 12.557 1.00 1.00 N ATOM 731 CA LYS A 47 13.657 -14.987 12.739 1.00 1.00 C ATOM 732 C LYS A 47 12.654 -15.794 13.559 1.00 1.00 C ATOM 733 O LYS A 47 12.933 -16.920 13.970 1.00 1.00 O ATOM 734 CB LYS A 47 15.015 -14.982 13.447 1.00 1.00 C ATOM 735 CG LYS A 47 16.092 -15.563 12.522 1.00 1.00 C ATOM 736 CD LYS A 47 15.839 -17.057 12.313 1.00 1.00 C ATOM 737 CE LYS A 47 16.895 -17.863 13.072 1.00 1.00 C ATOM 738 NZ LYS A 47 18.251 -17.502 12.572 1.00 1.00 N ATOM 0 H LYS A 47 13.526 -12.954 13.249 1.00 1.00 H new ATOM 0 HA LYS A 47 13.765 -15.449 11.758 1.00 1.00 H new ATOM 0 HB2 LYS A 47 15.281 -13.965 13.734 1.00 1.00 H new ATOM 0 HB3 LYS A 47 14.958 -15.567 14.365 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.080 -15.045 11.563 1.00 1.00 H new ATOM 0 HG3 LYS A 47 17.080 -15.409 12.956 1.00 1.00 H new ATOM 0 HD2 LYS A 47 14.842 -17.321 12.665 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.876 -17.298 11.251 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.824 -17.660 14.141 1.00 1.00 H new ATOM 0 HE3 LYS A 47 16.719 -18.930 12.938 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.867 -18.339 12.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.180 -17.161 11.592 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 18.654 -16.753 13.171 1.00 1.00 H new ATOM 752 N GLN A 48 11.485 -15.206 13.796 1.00 1.00 N ATOM 753 CA GLN A 48 10.447 -15.877 14.570 1.00 1.00 C ATOM 754 C GLN A 48 9.726 -16.917 13.717 1.00 1.00 C ATOM 755 O GLN A 48 9.693 -18.098 14.063 1.00 1.00 O ATOM 756 CB GLN A 48 9.437 -14.852 15.088 1.00 1.00 C ATOM 757 CG GLN A 48 9.460 -14.840 16.618 1.00 1.00 C ATOM 758 CD GLN A 48 8.475 -13.804 17.147 1.00 1.00 C ATOM 759 OE1 GLN A 48 8.321 -12.678 16.505 1.00 1.00 O flip ATOM 760 NE2 GLN A 48 7.830 -14.023 18.172 1.00 1.00 N flip ATOM 0 H GLN A 48 11.234 -14.274 13.466 1.00 1.00 H new ATOM 0 HA GLN A 48 10.920 -16.381 15.413 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.678 -13.861 14.702 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.437 -15.098 14.731 1.00 1.00 H new ATOM 0 HG2 GLN A 48 9.203 -15.827 17.001 1.00 1.00 H new ATOM 0 HG3 GLN A 48 10.465 -14.612 16.973 1.00 1.00 H new ATOM 0 HE21 GLN A 48 7.951 -14.903 18.673 1.00 1.00 H new ATOM 0 HE22 GLN A 48 7.174 -13.324 18.521 1.00 1.00 H new ATOM 769 N THR A 49 9.156 -16.469 12.601 1.00 1.00 N ATOM 770 CA THR A 49 8.438 -17.367 11.701 1.00 1.00 C ATOM 771 C THR A 49 9.196 -17.518 10.382 1.00 1.00 C ATOM 772 O THR A 49 8.671 -18.059 9.410 1.00 1.00 O ATOM 773 CB THR A 49 7.025 -16.828 11.440 1.00 1.00 C ATOM 774 OG1 THR A 49 6.499 -16.293 12.646 1.00 1.00 O ATOM 775 CG2 THR A 49 6.123 -17.962 10.952 1.00 1.00 C ATOM 0 H THR A 49 9.177 -15.495 12.300 1.00 1.00 H new ATOM 0 HA THR A 49 8.362 -18.347 12.172 1.00 1.00 H new ATOM 0 HB THR A 49 7.068 -16.049 10.679 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.597 -15.946 12.484 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.121 -17.576 10.768 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.527 -18.377 10.029 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.077 -18.743 11.711 1.00 1.00 H new ATOM 783 N GLN A 50 10.440 -17.046 10.365 1.00 1.00 N ATOM 784 CA GLN A 50 11.275 -17.138 9.170 1.00 1.00 C ATOM 785 C GLN A 50 10.574 -16.527 7.960 1.00 1.00 C ATOM 786 O GLN A 50 10.780 -16.962 6.829 1.00 1.00 O ATOM 787 CB GLN A 50 11.607 -18.603 8.879 1.00 1.00 C ATOM 788 CG GLN A 50 12.481 -19.165 10.001 1.00 1.00 C ATOM 789 CD GLN A 50 11.659 -19.315 11.277 1.00 1.00 C ATOM 790 OE1 GLN A 50 11.735 -18.400 12.204 1.00 1.00 O flip ATOM 791 NE2 GLN A 50 10.927 -20.293 11.433 1.00 1.00 N flip ATOM 0 H GLN A 50 10.891 -16.597 11.162 1.00 1.00 H new ATOM 0 HA GLN A 50 12.193 -16.581 9.356 1.00 1.00 H new ATOM 0 HB2 GLN A 50 10.689 -19.184 8.794 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.126 -18.686 7.924 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.889 -20.132 9.706 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.328 -18.503 10.180 1.00 1.00 H new ATOM 0 HE21 GLN A 50 10.869 -21.007 10.707 1.00 1.00 H new ATOM 0 HE22 GLN A 50 10.379 -20.389 12.288 1.00 1.00 H new ATOM 800 N GLN A 51 9.754 -15.511 8.212 1.00 1.00 N ATOM 801 CA GLN A 51 9.026 -14.834 7.139 1.00 1.00 C ATOM 802 C GLN A 51 8.194 -13.685 7.704 1.00 1.00 C ATOM 803 O GLN A 51 8.107 -13.512 8.919 1.00 1.00 O ATOM 804 CB GLN A 51 8.102 -15.814 6.405 1.00 1.00 C ATOM 805 CG GLN A 51 7.184 -16.516 7.411 1.00 1.00 C ATOM 806 CD GLN A 51 7.240 -18.029 7.217 1.00 1.00 C ATOM 807 OE1 GLN A 51 8.306 -18.587 6.955 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.145 -18.729 7.336 1.00 1.00 N ATOM 0 H GLN A 51 9.576 -15.138 9.145 1.00 1.00 H new ATOM 0 HA GLN A 51 9.758 -14.440 6.434 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.505 -15.280 5.665 1.00 1.00 H new ATOM 0 HB3 GLN A 51 8.695 -16.551 5.864 1.00 1.00 H new ATOM 0 HG2 GLN A 51 7.486 -16.262 8.427 1.00 1.00 H new ATOM 0 HG3 GLN A 51 6.160 -16.165 7.285 1.00 1.00 H new ATOM 0 HE21 GLN A 51 5.264 -18.264 7.553 1.00 1.00 H new ATOM 0 HE22 GLN A 51 6.171 -19.741 7.212 1.00 1.00 H new ATOM 817 N ASN A 52 7.589 -12.904 6.814 1.00 1.00 N ATOM 818 CA ASN A 52 6.766 -11.774 7.232 1.00 1.00 C ATOM 819 C ASN A 52 5.936 -12.129 8.461 1.00 1.00 C ATOM 820 O ASN A 52 5.322 -13.194 8.522 1.00 1.00 O ATOM 821 CB ASN A 52 5.833 -11.359 6.093 1.00 1.00 C ATOM 822 CG ASN A 52 4.447 -11.945 6.325 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.479 -11.206 6.499 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.292 -13.241 6.340 1.00 1.00 N ATOM 0 H ASN A 52 7.652 -13.032 5.804 1.00 1.00 H new ATOM 0 HA ASN A 52 7.429 -10.947 7.485 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.774 -10.272 6.036 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.230 -11.707 5.139 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.367 -13.642 6.496 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.096 -13.852 6.196 1.00 1.00 H new ATOM 831 N ARG A 53 5.919 -11.232 9.443 1.00 1.00 N ATOM 832 CA ARG A 53 5.154 -11.468 10.663 1.00 1.00 C ATOM 833 C ARG A 53 3.705 -11.007 10.492 1.00 1.00 C ATOM 834 O ARG A 53 3.017 -10.697 11.465 1.00 1.00 O ATOM 835 CB ARG A 53 5.809 -10.733 11.840 1.00 1.00 C ATOM 836 CG ARG A 53 6.597 -11.733 12.684 1.00 1.00 C ATOM 837 CD ARG A 53 7.368 -10.985 13.773 1.00 1.00 C ATOM 838 NE ARG A 53 6.443 -10.427 14.751 1.00 1.00 N ATOM 839 CZ ARG A 53 6.860 -10.047 15.954 1.00 1.00 C ATOM 840 NH1 ARG A 53 8.120 -10.163 16.275 1.00 1.00 N ATOM 841 NH2 ARG A 53 6.011 -9.556 16.816 1.00 1.00 N ATOM 0 H ARG A 53 6.421 -10.344 9.419 1.00 1.00 H new ATOM 0 HA ARG A 53 5.149 -12.538 10.868 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.471 -9.949 11.471 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.047 -10.246 12.449 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.919 -12.458 13.136 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.288 -12.293 12.053 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.065 -11.663 14.266 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.961 -10.187 13.326 1.00 1.00 H new ATOM 0 HE ARG A 53 5.458 -10.326 14.508 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.785 -10.545 15.602 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.440 -9.871 17.199 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.026 -9.464 16.566 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.332 -9.265 17.739 1.00 1.00 H new ATOM 855 N GLY A 54 3.236 -10.976 9.246 1.00 1.00 N ATOM 856 CA GLY A 54 1.866 -10.562 8.968 1.00 1.00 C ATOM 857 C GLY A 54 1.782 -9.062 8.693 1.00 1.00 C ATOM 858 O GLY A 54 0.762 -8.432 8.969 1.00 1.00 O ATOM 0 H GLY A 54 3.780 -11.230 8.421 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.485 -11.113 8.108 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.229 -10.814 9.816 1.00 1.00 H new ATOM 862 N PHE A 55 2.855 -8.493 8.148 1.00 1.00 N ATOM 863 CA PHE A 55 2.876 -7.062 7.847 1.00 1.00 C ATOM 864 C PHE A 55 3.899 -6.745 6.757 1.00 1.00 C ATOM 865 O PHE A 55 4.941 -7.393 6.662 1.00 1.00 O ATOM 866 CB PHE A 55 3.219 -6.270 9.113 1.00 1.00 C ATOM 867 CG PHE A 55 2.292 -6.680 10.232 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.988 -6.175 10.282 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.738 -7.566 11.220 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.129 -6.555 11.319 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.879 -7.948 12.257 1.00 1.00 C ATOM 872 CZ PHE A 55 0.574 -7.443 12.307 1.00 1.00 C ATOM 0 H PHE A 55 3.711 -8.992 7.908 1.00 1.00 H new ATOM 0 HA PHE A 55 1.887 -6.776 7.488 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.255 -6.453 9.399 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.125 -5.201 8.922 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.644 -5.491 9.520 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.745 -7.955 11.182 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.877 -6.164 11.358 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.223 -8.632 13.019 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.089 -7.738 13.107 1.00 1.00 H new ATOM 882 N ALA A 56 3.591 -5.741 5.938 1.00 1.00 N ATOM 883 CA ALA A 56 4.486 -5.338 4.855 1.00 1.00 C ATOM 884 C ALA A 56 4.464 -3.821 4.684 1.00 1.00 C ATOM 885 O ALA A 56 3.407 -3.193 4.772 1.00 1.00 O ATOM 886 CB ALA A 56 4.056 -6.005 3.548 1.00 1.00 C ATOM 0 H ALA A 56 2.733 -5.194 6.003 1.00 1.00 H new ATOM 0 HA ALA A 56 5.499 -5.652 5.107 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.728 -5.700 2.746 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.096 -7.088 3.662 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.038 -5.703 3.303 1.00 1.00 H new ATOM 892 N PHE A 57 5.634 -3.238 4.442 1.00 1.00 N ATOM 893 CA PHE A 57 5.734 -1.792 4.263 1.00 1.00 C ATOM 894 C PHE A 57 5.866 -1.440 2.784 1.00 1.00 C ATOM 895 O PHE A 57 6.621 -2.075 2.048 1.00 1.00 O ATOM 896 CB PHE A 57 6.947 -1.255 5.026 1.00 1.00 C ATOM 897 CG PHE A 57 6.483 -0.534 6.268 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.124 0.817 6.201 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.412 -1.216 7.490 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.696 1.487 7.352 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.984 -0.545 8.641 1.00 1.00 C ATOM 902 CZ PHE A 57 5.624 0.805 8.574 1.00 1.00 C ATOM 0 H PHE A 57 6.519 -3.739 4.366 1.00 1.00 H new ATOM 0 HA PHE A 57 4.825 -1.334 4.653 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.612 -2.075 5.296 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.518 -0.577 4.391 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.177 1.343 5.259 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.687 -2.259 7.544 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.421 2.530 7.299 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.932 -1.071 9.583 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.291 1.321 9.463 1.00 1.00 H new ATOM 912 N VAL A 58 5.126 -0.421 2.357 1.00 1.00 N ATOM 913 CA VAL A 58 5.166 0.014 0.964 1.00 1.00 C ATOM 914 C VAL A 58 5.128 1.538 0.880 1.00 1.00 C ATOM 915 O VAL A 58 4.323 2.181 1.555 1.00 1.00 O ATOM 916 CB VAL A 58 3.976 -0.569 0.192 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.480 -1.318 -1.041 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.197 -1.535 1.089 1.00 1.00 C ATOM 0 H VAL A 58 4.495 0.116 2.951 1.00 1.00 H new ATOM 0 HA VAL A 58 6.095 -0.345 0.520 1.00 1.00 H new ATOM 0 HB VAL A 58 3.320 0.245 -0.118 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.632 -1.731 -1.588 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.027 -0.630 -1.686 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.141 -2.127 -0.730 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.353 -1.946 0.535 1.00 1.00 H new ATOM 0 HG22 VAL A 58 3.852 -2.346 1.406 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.830 -1.002 1.966 1.00 1.00 H new ATOM 928 N GLN A 59 6.001 2.105 0.048 1.00 1.00 N ATOM 929 CA GLN A 59 6.061 3.557 -0.118 1.00 1.00 C ATOM 930 C GLN A 59 5.804 3.932 -1.574 1.00 1.00 C ATOM 931 O GLN A 59 6.069 3.142 -2.481 1.00 1.00 O ATOM 932 CB GLN A 59 7.428 4.087 0.321 1.00 1.00 C ATOM 933 CG GLN A 59 7.610 5.519 -0.185 1.00 1.00 C ATOM 934 CD GLN A 59 8.715 6.214 0.602 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.401 6.962 1.625 1.00 1.00 O flip ATOM 936 NE2 GLN A 59 9.894 6.073 0.278 1.00 1.00 N flip ATOM 0 H GLN A 59 6.672 1.586 -0.518 1.00 1.00 H new ATOM 0 HA GLN A 59 5.290 4.009 0.507 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.507 4.062 1.408 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.220 3.449 -0.071 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.859 5.510 -1.246 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.676 6.071 -0.082 1.00 1.00 H new ATOM 0 HE21 GLN A 59 10.137 5.488 -0.522 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.628 6.541 0.809 1.00 1.00 H new ATOM 945 N LEU A 60 5.282 5.137 -1.790 1.00 1.00 N ATOM 946 CA LEU A 60 4.985 5.604 -3.141 1.00 1.00 C ATOM 947 C LEU A 60 5.971 6.700 -3.545 1.00 1.00 C ATOM 948 O LEU A 60 6.679 7.250 -2.702 1.00 1.00 O ATOM 949 CB LEU A 60 3.550 6.158 -3.209 1.00 1.00 C ATOM 950 CG LEU A 60 2.529 5.044 -3.507 1.00 1.00 C ATOM 951 CD1 LEU A 60 2.787 4.439 -4.889 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.614 3.940 -2.450 1.00 1.00 C ATOM 0 H LEU A 60 5.057 5.804 -1.052 1.00 1.00 H new ATOM 0 HA LEU A 60 5.078 4.762 -3.827 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.299 6.639 -2.264 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.491 6.924 -3.982 1.00 1.00 H new ATOM 0 HG LEU A 60 1.533 5.486 -3.486 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.057 3.653 -5.084 1.00 1.00 H new ATOM 0 HD12 LEU A 60 2.697 5.215 -5.649 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.791 4.017 -4.920 1.00 1.00 H new ATOM 0 HD21 LEU A 60 1.885 3.162 -2.677 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.616 3.511 -2.452 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.401 4.360 -1.467 1.00 1.00 H new ATOM 964 N SER A 61 6.016 7.006 -4.838 1.00 1.00 N ATOM 965 CA SER A 61 6.925 8.033 -5.338 1.00 1.00 C ATOM 966 C SER A 61 6.626 9.388 -4.705 1.00 1.00 C ATOM 967 O SER A 61 7.537 10.159 -4.408 1.00 1.00 O ATOM 968 CB SER A 61 6.802 8.143 -6.858 1.00 1.00 C ATOM 969 OG SER A 61 6.040 7.047 -7.348 1.00 1.00 O ATOM 0 H SER A 61 5.440 6.562 -5.553 1.00 1.00 H new ATOM 0 HA SER A 61 7.941 7.743 -5.071 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.323 9.084 -7.128 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.791 8.146 -7.315 1.00 1.00 H new ATOM 0 HG SER A 61 5.958 7.115 -8.322 1.00 1.00 H new ATOM 975 N SER A 62 5.342 9.669 -4.505 1.00 1.00 N ATOM 976 CA SER A 62 4.923 10.934 -3.910 1.00 1.00 C ATOM 977 C SER A 62 3.992 10.686 -2.727 1.00 1.00 C ATOM 978 O SER A 62 3.721 9.540 -2.367 1.00 1.00 O ATOM 979 CB SER A 62 4.206 11.789 -4.955 1.00 1.00 C ATOM 980 OG SER A 62 4.937 11.749 -6.174 1.00 1.00 O ATOM 0 H SER A 62 4.576 9.040 -4.745 1.00 1.00 H new ATOM 0 HA SER A 62 5.810 11.460 -3.556 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.193 11.419 -5.112 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.118 12.817 -4.603 1.00 1.00 H new ATOM 0 HG SER A 62 4.480 12.295 -6.848 1.00 1.00 H new ATOM 986 N ALA A 63 3.507 11.768 -2.126 1.00 1.00 N ATOM 987 CA ALA A 63 2.609 11.655 -0.982 1.00 1.00 C ATOM 988 C ALA A 63 1.184 11.366 -1.440 1.00 1.00 C ATOM 989 O ALA A 63 0.532 10.454 -0.932 1.00 1.00 O ATOM 990 CB ALA A 63 2.633 12.953 -0.172 1.00 1.00 C ATOM 0 H ALA A 63 3.718 12.725 -2.409 1.00 1.00 H new ATOM 0 HA ALA A 63 2.950 10.828 -0.358 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.960 12.862 0.681 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.646 13.141 0.183 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.310 13.781 -0.802 1.00 1.00 H new ATOM 996 N MET A 64 0.703 12.150 -2.399 1.00 1.00 N ATOM 997 CA MET A 64 -0.650 11.968 -2.915 1.00 1.00 C ATOM 998 C MET A 64 -0.828 10.563 -3.478 1.00 1.00 C ATOM 999 O MET A 64 -1.876 9.940 -3.300 1.00 1.00 O ATOM 1000 CB MET A 64 -0.935 12.999 -4.008 1.00 1.00 C ATOM 1001 CG MET A 64 -2.363 12.816 -4.525 1.00 1.00 C ATOM 1002 SD MET A 64 -3.220 14.409 -4.505 1.00 1.00 S ATOM 1003 CE MET A 64 -2.300 15.179 -5.860 1.00 1.00 C ATOM 0 H MET A 64 1.225 12.912 -2.832 1.00 1.00 H new ATOM 0 HA MET A 64 -1.352 12.106 -2.093 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.806 14.007 -3.614 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.224 12.883 -4.826 1.00 1.00 H new ATOM 0 HG2 MET A 64 -2.346 12.413 -5.538 1.00 1.00 H new ATOM 0 HG3 MET A 64 -2.896 12.096 -3.904 1.00 1.00 H new ATOM 0 HE1 MET A 64 -2.793 16.106 -6.154 1.00 1.00 H new ATOM 0 HE2 MET A 64 -1.284 15.397 -5.532 1.00 1.00 H new ATOM 0 HE3 MET A 64 -2.269 14.499 -6.711 1.00 1.00 H new ATOM 1013 N ASP A 65 0.201 10.067 -4.159 1.00 1.00 N ATOM 1014 CA ASP A 65 0.143 8.733 -4.745 1.00 1.00 C ATOM 1015 C ASP A 65 -0.256 7.700 -3.694 1.00 1.00 C ATOM 1016 O ASP A 65 -0.863 6.678 -4.015 1.00 1.00 O ATOM 1017 CB ASP A 65 1.506 8.362 -5.334 1.00 1.00 C ATOM 1018 CG ASP A 65 1.614 8.879 -6.764 1.00 1.00 C ATOM 1019 OD1 ASP A 65 2.000 10.025 -6.931 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.316 8.121 -7.672 1.00 1.00 O ATOM 0 H ASP A 65 1.077 10.564 -4.317 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.607 8.738 -5.536 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.303 8.787 -4.724 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.636 7.280 -5.319 1.00 1.00 H new ATOM 1025 N ALA A 66 0.089 7.972 -2.441 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.241 7.056 -1.354 1.00 1.00 C ATOM 1027 C ALA A 66 -1.743 7.058 -1.089 1.00 1.00 C ATOM 1028 O ALA A 66 -2.363 6.002 -0.974 1.00 1.00 O ATOM 1029 CB ALA A 66 0.504 7.461 -0.079 1.00 1.00 C ATOM 0 H ALA A 66 0.592 8.811 -2.153 1.00 1.00 H new ATOM 0 HA ALA A 66 0.065 6.052 -1.648 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.250 6.771 0.725 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.578 7.429 -0.260 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.214 8.472 0.206 1.00 1.00 H new ATOM 1035 N SER A 67 -2.321 8.250 -0.995 1.00 1.00 N ATOM 1036 CA SER A 67 -3.753 8.373 -0.746 1.00 1.00 C ATOM 1037 C SER A 67 -4.548 7.851 -1.937 1.00 1.00 C ATOM 1038 O SER A 67 -5.645 7.315 -1.778 1.00 1.00 O ATOM 1039 CB SER A 67 -4.116 9.836 -0.488 1.00 1.00 C ATOM 1040 OG SER A 67 -2.952 10.544 -0.086 1.00 1.00 O ATOM 0 H SER A 67 -1.826 9.137 -1.086 1.00 1.00 H new ATOM 0 HA SER A 67 -4.003 7.779 0.133 1.00 1.00 H new ATOM 0 HB2 SER A 67 -4.535 10.283 -1.390 1.00 1.00 H new ATOM 0 HB3 SER A 67 -4.881 9.902 0.285 1.00 1.00 H new ATOM 0 HG SER A 67 -3.181 11.483 0.079 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.987 8.013 -3.130 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.647 7.559 -4.343 1.00 1.00 C ATOM 1048 C GLN A 68 -4.677 6.034 -4.403 1.00 1.00 C ATOM 1049 O GLN A 68 -5.745 5.429 -4.485 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.903 8.102 -5.566 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.827 9.025 -6.359 1.00 1.00 C ATOM 1052 CD GLN A 68 -4.142 9.471 -7.646 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.125 8.900 -8.040 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -4.641 10.465 -8.328 1.00 1.00 N ATOM 0 H GLN A 68 -3.080 8.454 -3.280 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.672 7.929 -4.339 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.012 8.646 -5.251 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.567 7.278 -6.196 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.757 8.507 -6.593 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -5.089 9.895 -5.757 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.484 10.937 -8.000 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -4.188 10.770 -9.190 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.498 5.421 -4.363 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.407 3.965 -4.418 1.00 1.00 C ATOM 1065 C LEU A 69 -4.280 3.339 -3.337 1.00 1.00 C ATOM 1066 O LEU A 69 -4.747 2.208 -3.478 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.953 3.519 -4.227 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.649 2.325 -5.138 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.185 1.918 -4.973 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.548 1.145 -4.761 1.00 1.00 C ATOM 0 H LEU A 69 -2.602 5.903 -4.294 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.758 3.634 -5.395 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.278 4.343 -4.456 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.781 3.246 -3.186 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.837 2.607 -6.174 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.032 1.069 -5.621 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.458 2.755 -5.245 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.001 1.640 -3.936 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.329 0.298 -5.411 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.364 0.864 -3.724 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.593 1.432 -4.879 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.503 4.080 -2.258 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.326 3.581 -1.163 1.00 1.00 C ATOM 1084 C LEU A 70 -6.803 3.650 -1.534 1.00 1.00 C ATOM 1085 O LEU A 70 -7.582 2.759 -1.195 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.076 4.406 0.104 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.567 3.635 1.333 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.371 3.056 2.089 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.337 4.583 2.255 1.00 1.00 C ATOM 0 H LEU A 70 -4.130 5.019 -2.118 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.055 2.542 -0.975 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.013 4.625 0.202 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.593 5.363 0.033 1.00 1.00 H new ATOM 0 HG LEU A 70 -6.221 2.824 1.012 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.724 2.508 2.963 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.820 2.380 1.435 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.716 3.866 2.409 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.687 4.035 3.130 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -5.681 5.394 2.573 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -7.192 4.996 1.720 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.182 4.713 -2.236 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.566 4.890 -2.651 1.00 1.00 C ATOM 1103 C GLN A 71 -8.854 4.103 -3.925 1.00 1.00 C ATOM 1104 O GLN A 71 -9.993 3.711 -4.178 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.849 6.375 -2.887 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.235 6.538 -3.511 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.879 7.831 -3.019 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.958 7.801 -2.428 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.276 8.968 -3.224 1.00 1.00 N ATOM 0 H GLN A 71 -6.552 5.461 -2.528 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.215 4.516 -1.859 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.797 6.920 -1.945 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.091 6.801 -3.544 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.154 6.553 -4.598 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.863 5.686 -3.250 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.382 8.990 -3.714 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.698 9.836 -2.894 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.816 3.878 -4.728 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.978 3.139 -5.975 1.00 1.00 C ATOM 1120 C ILE A 72 -8.211 1.656 -5.701 1.00 1.00 C ATOM 1121 O ILE A 72 -9.039 1.021 -6.355 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.737 3.312 -6.854 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.690 4.747 -7.390 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.803 2.333 -8.027 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.328 5.014 -8.036 1.00 1.00 C ATOM 0 H ILE A 72 -6.864 4.193 -4.539 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.849 3.538 -6.496 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.842 3.113 -6.264 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.485 4.899 -8.120 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.863 5.454 -6.579 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.919 2.456 -8.653 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.840 1.312 -7.647 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.697 2.533 -8.618 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.299 6.035 -8.416 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.541 4.880 -7.294 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.173 4.317 -8.859 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.482 1.108 -4.733 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.629 -0.305 -4.392 1.00 1.00 C ATOM 1139 C LEU A 73 -8.870 -0.520 -3.529 1.00 1.00 C ATOM 1140 O LEU A 73 -9.553 -1.536 -3.653 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.389 -0.804 -3.647 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.326 -2.332 -3.731 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.528 -2.750 -4.967 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.643 -2.885 -2.480 1.00 1.00 C ATOM 0 H LEU A 73 -6.792 1.612 -4.177 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.740 -0.870 -5.317 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.490 -0.367 -4.082 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.425 -0.487 -2.605 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.339 -2.728 -3.802 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.486 -3.838 -5.022 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.012 -2.360 -5.862 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.516 -2.351 -4.899 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.598 -3.972 -2.540 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.632 -2.484 -2.410 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.211 -2.594 -1.596 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.160 0.445 -2.661 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.329 0.347 -1.789 1.00 1.00 C ATOM 1158 C GLN A 74 -11.585 0.776 -2.543 1.00 1.00 C ATOM 1159 O GLN A 74 -12.703 0.616 -2.052 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.157 1.227 -0.548 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.020 0.680 0.317 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.568 1.739 1.315 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.742 2.934 1.075 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -7.989 1.372 2.427 1.00 1.00 N ATOM 0 H GLN A 74 -8.609 1.295 -2.542 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.429 -0.692 -1.474 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.940 2.253 -0.845 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.084 1.250 0.025 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.352 -0.213 0.847 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.183 0.383 -0.314 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -7.846 0.382 2.625 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -7.680 2.076 3.098 1.00 1.00 H new ATOM 1173 N SER A 75 -11.389 1.323 -3.740 1.00 1.00 N ATOM 1174 CA SER A 75 -12.509 1.774 -4.558 1.00 1.00 C ATOM 1175 C SER A 75 -13.251 0.583 -5.152 1.00 1.00 C ATOM 1176 O SER A 75 -14.435 0.675 -5.475 1.00 1.00 O ATOM 1177 CB SER A 75 -12.002 2.674 -5.686 1.00 1.00 C ATOM 1178 OG SER A 75 -12.079 4.032 -5.273 1.00 1.00 O ATOM 0 H SER A 75 -10.471 1.464 -4.162 1.00 1.00 H new ATOM 0 HA SER A 75 -13.195 2.336 -3.924 1.00 1.00 H new ATOM 0 HB2 SER A 75 -10.973 2.416 -5.938 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.599 2.521 -6.585 1.00 1.00 H new ATOM 0 HG SER A 75 -11.178 4.370 -5.089 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.549 -0.537 -5.288 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.154 -1.743 -5.837 1.00 1.00 C ATOM 1186 C LEU A 76 -14.114 -2.350 -4.820 1.00 1.00 C ATOM 1187 O LEU A 76 -13.796 -2.446 -3.636 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.073 -2.766 -6.201 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.081 -2.144 -7.190 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.961 -3.143 -7.488 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.800 -1.786 -8.493 1.00 1.00 C ATOM 0 H LEU A 76 -11.568 -0.634 -5.027 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.704 -1.477 -6.740 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.549 -3.090 -5.302 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.531 -3.652 -6.640 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.659 -1.240 -6.751 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.256 -2.700 -8.191 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.442 -3.394 -6.563 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.386 -4.048 -7.922 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.089 -1.344 -9.191 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.228 -2.687 -8.932 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.596 -1.071 -8.285 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.290 -2.749 -5.286 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.287 -3.334 -4.394 1.00 1.00 C ATOM 1205 C HIS A 77 -15.668 -4.440 -3.539 1.00 1.00 C ATOM 1206 O HIS A 77 -15.716 -4.372 -2.310 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.478 -3.882 -5.188 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.681 -3.013 -4.938 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.734 -1.688 -5.341 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.878 -3.264 -4.316 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -19.926 -1.195 -4.962 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.663 -2.114 -4.332 1.00 1.00 N ATOM 0 H HIS A 77 -15.576 -2.681 -6.263 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.647 -2.545 -3.733 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.243 -3.901 -6.252 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.688 -4.909 -4.889 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -20.167 -4.209 -3.881 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.248 -0.180 -5.144 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.600 -1.998 -3.946 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.082 -5.448 -4.144 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.444 -6.560 -3.382 1.00 1.00 C ATOM 1222 C PRO A 78 -13.084 -6.144 -2.802 1.00 1.00 C ATOM 1223 O PRO A 78 -12.321 -5.444 -3.468 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.268 -7.655 -4.433 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.128 -6.928 -5.728 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.958 -5.650 -5.601 1.00 1.00 C ATOM 0 HA PRO A 78 -15.041 -6.873 -2.526 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.388 -8.264 -4.225 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.125 -8.328 -4.449 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.083 -6.693 -5.930 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.483 -7.540 -6.557 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.465 -4.804 -6.081 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.934 -5.759 -6.073 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.753 -6.553 -1.595 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.446 -6.196 -0.969 1.00 1.00 C ATOM 1236 C PRO A 79 -10.290 -6.971 -1.599 1.00 1.00 C ATOM 1237 O PRO A 79 -10.510 -7.946 -2.316 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.632 -6.583 0.501 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.657 -7.666 0.494 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.573 -7.390 -0.698 1.00 1.00 C ATOM 0 HA PRO A 79 -11.193 -5.144 -1.104 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.696 -6.930 0.938 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.964 -5.731 1.094 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -12.186 -8.645 0.403 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.223 -7.670 1.425 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.881 -8.314 -1.186 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.482 -6.873 -0.391 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.060 -6.538 -1.330 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.896 -7.217 -1.885 1.00 1.00 C ATOM 1250 C LEU A 80 -7.827 -8.643 -1.346 1.00 1.00 C ATOM 1251 O LEU A 80 -7.876 -8.860 -0.135 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.622 -6.444 -1.518 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.396 -7.102 -2.166 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.511 -7.044 -3.692 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.134 -6.358 -1.729 1.00 1.00 C ATOM 0 H LEU A 80 -8.847 -5.733 -0.741 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.982 -7.256 -2.971 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.707 -5.410 -1.851 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.501 -6.421 -0.435 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.343 -8.144 -1.851 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.636 -7.514 -4.141 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.410 -7.573 -4.010 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.570 -6.004 -4.013 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.261 -6.822 -2.187 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.198 -5.316 -2.044 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.042 -6.404 -0.644 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.733 -9.615 -2.251 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.679 -11.016 -1.846 1.00 1.00 C ATOM 1269 C LYS A 81 -6.644 -11.781 -2.662 1.00 1.00 C ATOM 1270 O LYS A 81 -6.720 -11.843 -3.889 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.077 -11.650 -2.009 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.999 -13.124 -2.459 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.131 -13.941 -1.500 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.889 -15.205 -1.088 1.00 1.00 C ATOM 1275 NZ LYS A 81 -8.047 -16.009 -0.157 1.00 1.00 N ATOM 0 H LYS A 81 -7.693 -9.460 -3.258 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.379 -11.070 -0.800 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.615 -11.589 -1.063 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.650 -11.079 -2.739 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -10.002 -13.549 -2.501 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -8.587 -13.180 -3.467 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.189 -14.207 -1.980 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.883 -13.348 -0.620 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.829 -14.937 -0.606 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.140 -15.795 -1.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -8.040 -17.002 -0.465 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -7.075 -15.639 -0.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -8.437 -15.948 0.805 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.697 -12.387 -1.958 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.661 -13.186 -2.596 1.00 1.00 C ATOM 1291 C ILE A 82 -4.633 -14.554 -1.931 1.00 1.00 C ATOM 1292 O ILE A 82 -4.955 -14.666 -0.747 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.296 -12.510 -2.458 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.320 -11.558 -1.264 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.986 -11.720 -3.731 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -1.891 -11.138 -0.916 1.00 1.00 C ATOM 0 H ILE A 82 -5.626 -12.340 -0.942 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.880 -13.287 -3.659 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.529 -13.269 -2.305 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.921 -10.680 -1.498 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -3.786 -12.044 -0.407 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -2.013 -11.238 -3.632 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.971 -12.397 -4.585 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -3.753 -10.961 -3.884 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.909 -10.459 -0.064 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.303 -12.021 -0.664 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.441 -10.635 -1.772 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.276 -15.589 -2.689 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.240 -16.944 -2.142 1.00 1.00 C ATOM 1310 C ASP A 83 -3.786 -16.925 -0.686 1.00 1.00 C ATOM 1311 O ASP A 83 -2.599 -16.778 -0.398 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.282 -17.814 -2.959 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.888 -18.114 -4.326 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.744 -18.980 -4.396 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.487 -17.472 -5.283 1.00 1.00 O ATOM 0 H ASP A 83 -4.011 -15.518 -3.671 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.246 -17.359 -2.194 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.327 -17.303 -3.080 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.081 -18.745 -2.429 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.742 -17.073 0.227 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.423 -17.067 1.649 1.00 1.00 C ATOM 1322 C GLY A 84 -5.580 -16.532 2.490 1.00 1.00 C ATOM 1323 O GLY A 84 -6.069 -17.217 3.388 1.00 1.00 O ATOM 0 H GLY A 84 -5.731 -17.197 0.011 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.178 -18.079 1.970 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.537 -16.456 1.820 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.007 -15.302 2.208 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.098 -14.698 2.966 1.00 1.00 C ATOM 1329 C LYS A 85 -7.390 -13.281 2.474 1.00 1.00 C ATOM 1330 O LYS A 85 -6.808 -12.821 1.490 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.731 -14.660 4.455 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.225 -14.434 4.611 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.958 -13.636 5.887 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.518 -13.871 6.346 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.376 -15.274 6.832 1.00 1.00 N ATOM 0 H LYS A 85 -5.620 -14.713 1.471 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.993 -15.303 2.821 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.282 -13.863 4.955 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.019 -15.596 4.934 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.705 -15.391 4.653 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.836 -13.897 3.746 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.124 -12.574 5.706 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.654 -13.938 6.670 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.828 -13.688 5.523 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.259 -13.171 7.141 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.633 -15.316 7.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.278 -15.593 7.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.118 -15.892 6.037 1.00 1.00 H new ATOM 1349 N THR A 86 -8.298 -12.593 3.168 1.00 1.00 N ATOM 1350 CA THR A 86 -8.664 -11.231 2.796 1.00 1.00 C ATOM 1351 C THR A 86 -7.552 -10.258 3.172 1.00 1.00 C ATOM 1352 O THR A 86 -6.907 -10.413 4.209 1.00 1.00 O ATOM 1353 CB THR A 86 -9.959 -10.825 3.505 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.902 -11.885 3.407 1.00 1.00 O ATOM 1355 CG2 THR A 86 -10.531 -9.568 2.851 1.00 1.00 C ATOM 0 H THR A 86 -8.789 -12.956 3.985 1.00 1.00 H new ATOM 0 HA THR A 86 -8.814 -11.197 1.717 1.00 1.00 H new ATOM 0 HB THR A 86 -9.749 -10.620 4.555 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.731 -11.628 3.862 1.00 1.00 H new ATOM 0 HG21 THR A 86 -11.453 -9.281 3.358 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.807 -8.757 2.928 1.00 1.00 H new ATOM 0 HG23 THR A 86 -10.742 -9.768 1.800 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.331 -9.260 2.317 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.288 -8.268 2.560 1.00 1.00 C ATOM 1365 C ILE A 87 -6.864 -6.852 2.559 1.00 1.00 C ATOM 1366 O ILE A 87 -7.670 -6.498 1.693 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.205 -8.390 1.488 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.449 -9.711 1.676 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.237 -7.211 1.595 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.274 -9.518 2.636 1.00 1.00 C ATOM 0 H ILE A 87 -7.858 -9.118 1.455 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.855 -8.457 3.542 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.666 -8.378 0.500 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.125 -10.472 2.066 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.086 -10.070 0.713 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.467 -7.302 0.829 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.783 -6.278 1.452 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.771 -7.211 2.580 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.746 -10.464 2.760 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.591 -8.772 2.230 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.646 -9.180 3.603 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.441 -6.053 3.540 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.916 -4.675 3.659 1.00 1.00 C ATOM 1384 C GLY A 88 -5.771 -3.678 3.500 1.00 1.00 C ATOM 1385 O GLY A 88 -4.598 -4.053 3.533 1.00 1.00 O ATOM 0 H GLY A 88 -5.775 -6.335 4.259 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.676 -4.483 2.901 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.391 -4.534 4.630 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.126 -2.405 3.331 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.134 -1.349 3.169 1.00 1.00 C ATOM 1391 C VAL A 89 -5.303 -0.288 4.254 1.00 1.00 C ATOM 1392 O VAL A 89 -6.424 0.099 4.586 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.298 -0.696 1.797 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.951 -0.154 1.321 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.811 -1.730 0.795 1.00 1.00 C ATOM 0 H VAL A 89 -7.093 -2.082 3.303 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.140 -1.789 3.253 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.013 0.123 1.873 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.071 0.311 0.342 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.585 0.587 2.032 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.235 -0.972 1.248 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.927 -1.263 -0.183 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -5.098 -2.551 0.722 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.774 -2.115 1.130 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.187 0.181 4.803 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.232 1.199 5.848 1.00 1.00 C ATOM 1407 C ASP A 90 -2.987 2.081 5.794 1.00 1.00 C ATOM 1408 O ASP A 90 -1.958 1.684 5.249 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.330 0.534 7.223 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.354 -0.634 7.310 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.591 -1.629 6.646 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -2.385 -0.516 8.042 1.00 1.00 O ATOM 0 H ASP A 90 -3.248 -0.124 4.545 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.111 1.822 5.683 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -4.109 1.262 8.004 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -5.347 0.182 7.394 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.090 3.278 6.364 1.00 1.00 N ATOM 1418 CA PHE A 91 -1.964 4.207 6.375 1.00 1.00 C ATOM 1419 C PHE A 91 -0.920 3.767 7.398 1.00 1.00 C ATOM 1420 O PHE A 91 -1.171 2.878 8.211 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.460 5.610 6.723 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.087 6.243 5.503 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.287 6.584 4.405 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.464 6.488 5.469 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -2.866 7.171 3.274 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.043 7.075 4.337 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.243 7.415 3.239 1.00 1.00 C ATOM 0 H PHE A 91 -3.933 3.626 6.820 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.506 4.214 5.386 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.187 5.559 7.533 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -1.631 6.222 7.077 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.224 6.394 4.431 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.080 6.224 6.316 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.249 7.436 2.428 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.106 7.265 4.311 1.00 1.00 H new ATOM 0 HZ PHE A 91 -4.689 7.866 2.365 1.00 1.00 H new ATOM 1437 N ALA A 92 0.249 4.397 7.349 1.00 1.00 N ATOM 1438 CA ALA A 92 1.325 4.064 8.277 1.00 1.00 C ATOM 1439 C ALA A 92 1.446 5.128 9.364 1.00 1.00 C ATOM 1440 O ALA A 92 1.023 6.268 9.178 1.00 1.00 O ATOM 1441 CB ALA A 92 2.650 3.954 7.519 1.00 1.00 C ATOM 0 H ALA A 92 0.475 5.135 6.682 1.00 1.00 H new ATOM 0 HA ALA A 92 1.092 3.108 8.746 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.449 3.705 8.217 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.573 3.173 6.763 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.873 4.905 7.036 1.00 1.00 H new ATOM 1447 N LYS A 93 2.027 4.745 10.497 1.00 1.00 N ATOM 1448 CA LYS A 93 2.198 5.675 11.607 1.00 1.00 C ATOM 1449 C LYS A 93 3.169 6.787 11.229 1.00 1.00 C ATOM 1450 O LYS A 93 2.782 7.949 11.105 1.00 1.00 O ATOM 1451 CB LYS A 93 2.725 4.931 12.835 1.00 1.00 C ATOM 1452 CG LYS A 93 1.628 4.857 13.898 1.00 1.00 C ATOM 1453 CD LYS A 93 2.092 3.962 15.049 1.00 1.00 C ATOM 1454 CE LYS A 93 1.104 4.070 16.213 1.00 1.00 C ATOM 1455 NZ LYS A 93 1.136 2.813 17.012 1.00 1.00 N ATOM 0 H LYS A 93 2.384 3.805 10.670 1.00 1.00 H new ATOM 0 HA LYS A 93 1.229 6.117 11.838 1.00 1.00 H new ATOM 0 HB2 LYS A 93 3.043 3.927 12.556 1.00 1.00 H new ATOM 0 HB3 LYS A 93 3.600 5.443 13.236 1.00 1.00 H new ATOM 0 HG2 LYS A 93 1.399 5.856 14.270 1.00 1.00 H new ATOM 0 HG3 LYS A 93 0.711 4.461 13.462 1.00 1.00 H new ATOM 0 HD2 LYS A 93 2.162 2.927 14.713 1.00 1.00 H new ATOM 0 HD3 LYS A 93 3.088 4.260 15.376 1.00 1.00 H new ATOM 0 HE2 LYS A 93 1.361 4.921 16.844 1.00 1.00 H new ATOM 0 HE3 LYS A 93 0.097 4.247 15.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 0.464 2.887 17.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 0.871 2.010 16.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 2.095 2.663 17.385 1.00 1.00 H new ATOM 1469 N SER A 94 4.435 6.424 11.046 1.00 1.00 N ATOM 1470 CA SER A 94 5.456 7.400 10.682 1.00 1.00 C ATOM 1471 C SER A 94 6.813 6.721 10.528 1.00 1.00 C ATOM 1472 O SER A 94 7.538 6.533 11.505 1.00 1.00 O ATOM 1473 CB SER A 94 5.545 8.487 11.754 1.00 1.00 C ATOM 1474 OG SER A 94 5.004 9.696 11.240 1.00 1.00 O ATOM 0 H SER A 94 4.777 5.468 11.143 1.00 1.00 H new ATOM 0 HA SER A 94 5.178 7.852 9.730 1.00 1.00 H new ATOM 0 HB2 SER A 94 4.999 8.180 12.646 1.00 1.00 H new ATOM 0 HB3 SER A 94 6.583 8.637 12.052 1.00 1.00 H new ATOM 0 HG SER A 94 4.059 9.563 11.018 1.00 1.00 H new ATOM 1480 N ALA A 95 7.151 6.359 9.296 1.00 1.00 N ATOM 1481 CA ALA A 95 8.426 5.702 9.025 1.00 1.00 C ATOM 1482 C ALA A 95 9.588 6.585 9.464 1.00 1.00 C ATOM 1483 O ALA A 95 10.441 6.094 10.184 1.00 1.00 O ATOM 1484 CB ALA A 95 8.548 5.397 7.532 1.00 1.00 C ATOM 1485 OXT ALA A 95 9.609 7.741 9.072 1.00 1.00 O ATOM 0 H ALA A 95 6.566 6.507 8.474 1.00 1.00 H new ATOM 0 HA ALA A 95 8.461 4.770 9.590 1.00 1.00 H new ATOM 0 HB1 ALA A 95 9.502 4.907 7.338 1.00 1.00 H new ATOM 0 HB2 ALA A 95 7.734 4.740 7.227 1.00 1.00 H new ATOM 0 HB3 ALA A 95 8.496 6.327 6.965 1.00 1.00 H new TER 1491 ALA A 95