USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 869 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 98 GLN : amide:sc= 0.327 K(o=0.69,f=0.096) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0.364 USER MOD Set 2.1: A 85 MET CE :methyl 165:sc= -0.143 (180deg=-0.649) USER MOD Set 2.2: A 103 THR OG1 : rot -139:sc= -0.329 USER MOD Set 3.1: A 72 ASN : amide:sc= -0.845 K(o=-0.34,f=-2.8!) USER MOD Set 3.2: A 74 GLN : amide:sc= 0.504 K(o=-0.34,f=-3.5) USER MOD Set 4.1: A 45 ASN : amide:sc= -0.307! C(o=-0.59!,f=-5.9!) USER MOD Set 4.2: A 66 THR OG1 : rot -122:sc= -0.279 USER MOD Set 4.3: A 68 MET CE :methyl -167:sc= 0 (180deg=-0.0355) USER MOD Set 5.1: A 65 MET CE :methyl 168:sc= -1.13 (180deg=-1.51) USER MOD Set 5.2: A 83 SER OG : rot 108:sc= 0.411 USER MOD Set 6.1: A 43 MET CE :methyl -163:sc= -0.0798 (180deg=-0.161) USER MOD Set 6.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 38 MET CE :methyl 173:sc= -0.464 (180deg=-0.532) USER MOD Set 7.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 18 ASN : amide:sc= -0.46 X(o=-2.1,f=-2.1) USER MOD Set 8.2: A 106 GLN : amide:sc= -1.69! C(o=-2.1!,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.182 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 6 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.4) USER MOD Single : A 8 GLN : amide:sc= -0.614 K(o=-0.61,f=-4.6!) USER MOD Single : A 9 HIS : no HD1:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-0.92) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -120:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0287) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= -0.191 (180deg=-1.36) USER MOD Single : A 37 MET CE :methyl 180:sc= -0.822 (180deg=-0.822) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= -0.021 (180deg=-0.132) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.353 K(o=0.35,f=-1.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -164:sc= -0.108 (180deg=-0.467) USER MOD Single : A 76 ASN : amide:sc= -0.0979 K(o=-0.098,f=-1.2!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 1.13 (180deg=0.767) USER MOD Single : A 91 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.85) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 55:sc= 1.07 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.570 1.185 -6.790 1.00 0.00 N ATOM 2 CA MET A 1 17.160 0.859 -6.898 1.00 0.00 C ATOM 3 C MET A 1 16.482 1.109 -5.545 1.00 0.00 C ATOM 4 O MET A 1 17.155 1.473 -4.575 1.00 0.00 O ATOM 5 CB MET A 1 17.005 -0.582 -7.402 1.00 0.00 C ATOM 6 CG MET A 1 17.201 -1.659 -6.325 1.00 0.00 C ATOM 7 SD MET A 1 18.090 -3.127 -6.918 1.00 0.00 S ATOM 8 CE MET A 1 16.946 -4.460 -6.472 1.00 0.00 C ATOM 0 H1 MET A 1 18.808 1.928 -7.478 1.00 0.00 H new ATOM 0 H2 MET A 1 18.775 1.524 -5.829 1.00 0.00 H new ATOM 0 H3 MET A 1 19.139 0.337 -6.986 1.00 0.00 H new ATOM 0 HA MET A 1 16.663 1.499 -7.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.012 -0.697 -7.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.724 -0.752 -8.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.748 -1.227 -5.487 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.225 -1.964 -5.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.366 -5.418 -6.778 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.791 -4.460 -5.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.992 -4.305 -6.976 1.00 0.00 H new ATOM 18 N VAL A 2 15.170 0.902 -5.467 1.00 0.00 N ATOM 19 CA VAL A 2 14.447 1.021 -4.210 1.00 0.00 C ATOM 20 C VAL A 2 14.998 0.039 -3.167 1.00 0.00 C ATOM 21 O VAL A 2 15.359 -1.098 -3.494 1.00 0.00 O ATOM 22 CB VAL A 2 12.935 0.879 -4.471 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.546 -0.428 -5.165 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.104 0.970 -3.188 1.00 0.00 C ATOM 0 H VAL A 2 14.586 0.650 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 2 14.599 2.011 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 2 12.715 1.718 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.467 -0.454 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.047 -0.490 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.847 -1.273 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.047 0.864 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.401 0.174 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.272 1.937 -2.714 1.00 0.00 H new ATOM 34 N THR A 3 15.010 0.454 -1.902 1.00 0.00 N ATOM 35 CA THR A 3 15.530 -0.319 -0.787 1.00 0.00 C ATOM 36 C THR A 3 14.533 -0.310 0.377 1.00 0.00 C ATOM 37 O THR A 3 13.625 0.520 0.408 1.00 0.00 O ATOM 38 CB THR A 3 16.886 0.271 -0.359 1.00 0.00 C ATOM 39 OG1 THR A 3 16.859 1.682 -0.371 1.00 0.00 O ATOM 40 CG2 THR A 3 18.010 -0.176 -1.280 1.00 0.00 C ATOM 0 H THR A 3 14.646 1.365 -1.621 1.00 0.00 H new ATOM 0 HA THR A 3 15.674 -1.356 -1.091 1.00 0.00 H new ATOM 0 HB THR A 3 17.068 -0.094 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.733 2.028 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.951 0.261 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.087 -1.263 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.799 0.153 -2.298 1.00 0.00 H new ATOM 48 N PRO A 4 14.681 -1.211 1.362 1.00 0.00 N ATOM 49 CA PRO A 4 13.803 -1.251 2.530 1.00 0.00 C ATOM 50 C PRO A 4 13.939 -0.016 3.424 1.00 0.00 C ATOM 51 O PRO A 4 12.967 0.460 4.013 1.00 0.00 O ATOM 52 CB PRO A 4 14.225 -2.514 3.281 1.00 0.00 C ATOM 53 CG PRO A 4 15.638 -2.825 2.802 1.00 0.00 C ATOM 54 CD PRO A 4 15.605 -2.338 1.364 1.00 0.00 C ATOM 0 HA PRO A 4 12.755 -1.260 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.203 -2.354 4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.548 -3.341 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.392 -2.303 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.864 -3.889 2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.597 -2.034 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.267 -3.125 0.690 1.00 0.00 H new ATOM 62 N GLU A 5 15.165 0.466 3.591 1.00 0.00 N ATOM 63 CA GLU A 5 15.481 1.572 4.499 1.00 0.00 C ATOM 64 C GLU A 5 14.688 2.828 4.127 1.00 0.00 C ATOM 65 O GLU A 5 14.009 3.389 4.984 1.00 0.00 O ATOM 66 CB GLU A 5 16.999 1.812 4.554 1.00 0.00 C ATOM 67 CG GLU A 5 17.531 1.956 5.993 1.00 0.00 C ATOM 68 CD GLU A 5 17.937 3.394 6.334 1.00 0.00 C ATOM 69 OE1 GLU A 5 17.038 4.262 6.450 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.159 3.631 6.481 1.00 0.00 O ATOM 0 H GLU A 5 15.978 0.099 3.097 1.00 0.00 H new ATOM 0 HA GLU A 5 15.171 1.301 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.511 0.984 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.240 2.714 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.765 1.623 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.391 1.299 6.125 1.00 0.00 H new ATOM 77 N GLN A 6 14.667 3.196 2.841 1.00 0.00 N ATOM 78 CA GLN A 6 13.896 4.320 2.301 1.00 0.00 C ATOM 79 C GLN A 6 12.372 4.094 2.302 1.00 0.00 C ATOM 80 O GLN A 6 11.650 4.807 1.605 1.00 0.00 O ATOM 81 CB GLN A 6 14.433 4.691 0.910 1.00 0.00 C ATOM 82 CG GLN A 6 14.211 3.638 -0.171 1.00 0.00 C ATOM 83 CD GLN A 6 14.791 4.095 -1.506 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.923 4.561 -1.612 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.006 4.010 -2.560 1.00 0.00 N ATOM 0 H GLN A 6 15.203 2.704 2.126 1.00 0.00 H new ATOM 0 HA GLN A 6 14.039 5.165 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.962 5.621 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.502 4.887 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.676 2.699 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.144 3.444 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.067 3.622 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.337 4.332 -3.470 1.00 0.00 H new ATOM 94 N LEU A 7 11.871 3.103 3.046 1.00 0.00 N ATOM 95 CA LEU A 7 10.461 2.734 3.127 1.00 0.00 C ATOM 96 C LEU A 7 10.012 2.613 4.584 1.00 0.00 C ATOM 97 O LEU A 7 8.992 3.191 4.943 1.00 0.00 O ATOM 98 CB LEU A 7 10.227 1.420 2.370 1.00 0.00 C ATOM 99 CG LEU A 7 10.455 1.514 0.838 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.278 0.129 0.209 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.488 2.483 0.144 1.00 0.00 C ATOM 0 H LEU A 7 12.464 2.514 3.631 1.00 0.00 H new ATOM 0 HA LEU A 7 9.864 3.519 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.890 0.657 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.206 1.086 2.553 1.00 0.00 H new ATOM 0 HG LEU A 7 11.467 1.892 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.438 0.195 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.001 -0.562 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.269 -0.233 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.699 2.504 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.462 2.151 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.615 3.483 0.558 1.00 0.00 H new ATOM 113 N GLN A 8 10.771 1.925 5.449 1.00 0.00 N ATOM 114 CA GLN A 8 10.415 1.644 6.857 1.00 0.00 C ATOM 115 C GLN A 8 10.217 2.887 7.735 1.00 0.00 C ATOM 116 O GLN A 8 9.839 2.768 8.895 1.00 0.00 O ATOM 117 CB GLN A 8 11.486 0.755 7.506 1.00 0.00 C ATOM 118 CG GLN A 8 11.496 -0.675 6.938 1.00 0.00 C ATOM 119 CD GLN A 8 12.861 -1.352 7.022 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.011 -2.461 7.531 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.857 -0.730 6.430 1.00 0.00 N ATOM 0 H GLN A 8 11.676 1.535 5.186 1.00 0.00 H new ATOM 0 HA GLN A 8 9.449 1.141 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.466 1.207 7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.314 0.713 8.582 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.766 -1.278 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.177 -0.646 5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.709 0.190 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.777 -1.167 6.386 1.00 0.00 H new ATOM 130 N HIS A 9 10.501 4.068 7.210 1.00 0.00 N ATOM 131 CA HIS A 9 10.454 5.331 7.935 1.00 0.00 C ATOM 132 C HIS A 9 9.582 6.366 7.202 1.00 0.00 C ATOM 133 O HIS A 9 9.656 7.556 7.520 1.00 0.00 O ATOM 134 CB HIS A 9 11.892 5.826 8.186 1.00 0.00 C ATOM 135 CG HIS A 9 12.878 4.773 8.662 1.00 0.00 C ATOM 136 ND1 HIS A 9 14.152 4.585 8.173 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.677 3.823 9.630 1.00 0.00 C ATOM 138 CE1 HIS A 9 14.705 3.554 8.827 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.841 3.049 9.728 1.00 0.00 N ATOM 0 H HIS A 9 10.780 4.179 6.235 1.00 0.00 H new ATOM 0 HA HIS A 9 9.978 5.180 8.904 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.273 6.263 7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.857 6.626 8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.778 3.694 10.215 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.704 3.181 8.655 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.002 2.261 10.356 1.00 0.00 H new ATOM 147 N HIS A 10 8.788 5.941 6.207 1.00 0.00 N ATOM 148 CA HIS A 10 8.214 6.806 5.182 1.00 0.00 C ATOM 149 C HIS A 10 6.744 6.427 4.914 1.00 0.00 C ATOM 150 O HIS A 10 6.472 5.396 4.299 1.00 0.00 O ATOM 151 CB HIS A 10 9.082 6.694 3.913 1.00 0.00 C ATOM 152 CG HIS A 10 10.552 7.018 4.108 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.159 8.238 3.918 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.531 6.144 4.497 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.472 8.091 4.169 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.750 6.827 4.526 1.00 0.00 N ATOM 0 H HIS A 10 8.525 4.962 6.096 1.00 0.00 H new ATOM 0 HA HIS A 10 8.211 7.843 5.517 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.998 5.680 3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.676 7.362 3.154 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.386 5.102 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.203 8.882 4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.664 6.444 4.769 1.00 0.00 H new ATOM 164 N ARG A 11 5.780 7.237 5.374 1.00 0.00 N ATOM 165 CA ARG A 11 4.350 7.057 5.074 1.00 0.00 C ATOM 166 C ARG A 11 4.084 7.367 3.600 1.00 0.00 C ATOM 167 O ARG A 11 4.627 8.330 3.052 1.00 0.00 O ATOM 168 CB ARG A 11 3.530 7.999 5.975 1.00 0.00 C ATOM 169 CG ARG A 11 1.990 7.955 5.839 1.00 0.00 C ATOM 170 CD ARG A 11 1.449 9.362 5.546 1.00 0.00 C ATOM 171 NE ARG A 11 0.000 9.487 5.770 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.741 10.580 5.550 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.221 11.674 5.003 1.00 0.00 N ATOM 174 NH2 ARG A 11 -2.027 10.606 5.871 1.00 0.00 N ATOM 0 H ARG A 11 5.971 8.043 5.970 1.00 0.00 H new ATOM 0 HA ARG A 11 4.058 6.025 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.783 7.777 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.856 9.020 5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.707 7.273 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.546 7.570 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.970 10.083 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.673 9.622 4.511 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.485 8.664 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.764 11.694 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.807 12.494 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.464 9.786 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.579 11.446 5.697 1.00 0.00 H new ATOM 188 N PHE A 12 3.154 6.633 2.992 1.00 0.00 N ATOM 189 CA PHE A 12 2.714 6.796 1.616 1.00 0.00 C ATOM 190 C PHE A 12 1.190 6.759 1.609 1.00 0.00 C ATOM 191 O PHE A 12 0.593 5.757 1.990 1.00 0.00 O ATOM 192 CB PHE A 12 3.322 5.660 0.778 1.00 0.00 C ATOM 193 CG PHE A 12 4.758 5.883 0.353 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.040 6.589 -0.831 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.814 5.361 1.120 1.00 0.00 C ATOM 196 CE1 PHE A 12 6.371 6.784 -1.239 1.00 0.00 C ATOM 197 CE2 PHE A 12 7.144 5.562 0.718 1.00 0.00 C ATOM 198 CZ PHE A 12 7.424 6.274 -0.460 1.00 0.00 C ATOM 0 H PHE A 12 2.667 5.875 3.471 1.00 0.00 H new ATOM 0 HA PHE A 12 3.040 7.743 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.267 4.735 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.712 5.519 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.231 6.982 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.602 4.804 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.584 7.325 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.953 5.169 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.448 6.429 -0.767 1.00 0.00 H new ATOM 208 N VAL A 13 0.525 7.838 1.199 1.00 0.00 N ATOM 209 CA VAL A 13 -0.928 7.796 1.004 1.00 0.00 C ATOM 210 C VAL A 13 -1.238 7.376 -0.428 1.00 0.00 C ATOM 211 O VAL A 13 -0.490 7.726 -1.349 1.00 0.00 O ATOM 212 CB VAL A 13 -1.604 9.112 1.402 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.204 10.268 0.484 1.00 0.00 C ATOM 214 CG2 VAL A 13 -3.130 8.963 1.430 1.00 0.00 C ATOM 0 H VAL A 13 0.958 8.739 0.998 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.352 7.047 1.673 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.255 9.351 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.708 11.179 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.125 10.414 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.493 10.036 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.583 9.912 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.486 8.674 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.408 8.196 2.153 1.00 0.00 H new ATOM 224 N LEU A 14 -2.336 6.642 -0.616 1.00 0.00 N ATOM 225 CA LEU A 14 -2.840 6.291 -1.933 1.00 0.00 C ATOM 226 C LEU A 14 -3.417 7.556 -2.557 1.00 0.00 C ATOM 227 O LEU A 14 -4.558 7.934 -2.287 1.00 0.00 O ATOM 228 CB LEU A 14 -3.888 5.165 -1.852 1.00 0.00 C ATOM 229 CG LEU A 14 -4.317 4.604 -3.223 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.132 4.133 -4.081 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.257 3.416 -2.981 1.00 0.00 C ATOM 0 H LEU A 14 -2.900 6.275 0.150 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.033 5.905 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.486 4.351 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.770 5.541 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.807 5.409 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.501 3.750 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.459 4.971 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.594 3.344 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.574 3.002 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.734 2.649 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.131 3.752 -2.423 1.00 0.00 H new ATOM 243 N GLU A 15 -2.606 8.246 -3.353 1.00 0.00 N ATOM 244 CA GLU A 15 -3.082 9.328 -4.197 1.00 0.00 C ATOM 245 C GLU A 15 -4.089 8.740 -5.180 1.00 0.00 C ATOM 246 O GLU A 15 -5.240 9.178 -5.203 1.00 0.00 O ATOM 247 CB GLU A 15 -1.907 10.002 -4.921 1.00 0.00 C ATOM 248 CG GLU A 15 -1.546 11.384 -4.369 1.00 0.00 C ATOM 249 CD GLU A 15 -2.572 12.465 -4.711 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.948 12.584 -5.898 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.925 13.261 -3.811 1.00 0.00 O ATOM 0 H GLU A 15 -1.604 8.069 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.565 10.101 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.032 9.355 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.152 10.097 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.446 11.319 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.573 11.680 -4.761 1.00 0.00 H new ATOM 258 N SER A 16 -3.688 7.738 -5.975 1.00 0.00 N ATOM 259 CA SER A 16 -4.533 7.286 -7.063 1.00 0.00 C ATOM 260 C SER A 16 -4.476 5.781 -7.310 1.00 0.00 C ATOM 261 O SER A 16 -3.406 5.164 -7.369 1.00 0.00 O ATOM 262 CB SER A 16 -4.229 8.131 -8.305 1.00 0.00 C ATOM 263 OG SER A 16 -2.864 8.166 -8.670 1.00 0.00 O ATOM 0 H SER A 16 -2.802 7.241 -5.881 1.00 0.00 H new ATOM 0 HA SER A 16 -5.574 7.442 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.807 7.742 -9.144 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.571 9.151 -8.128 1.00 0.00 H new ATOM 0 HG SER A 16 -2.753 8.722 -9.469 1.00 0.00 H new ATOM 269 N VAL A 17 -5.665 5.198 -7.486 1.00 0.00 N ATOM 270 CA VAL A 17 -5.856 3.837 -7.959 1.00 0.00 C ATOM 271 C VAL A 17 -5.512 3.825 -9.448 1.00 0.00 C ATOM 272 O VAL A 17 -5.493 4.882 -10.096 1.00 0.00 O ATOM 273 CB VAL A 17 -7.326 3.419 -7.687 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.677 1.996 -8.145 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.654 3.601 -6.195 1.00 0.00 C ATOM 0 H VAL A 17 -6.543 5.680 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.215 3.121 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.945 4.079 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.722 1.788 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.516 1.910 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.042 1.279 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.687 3.306 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.987 2.980 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.521 4.647 -5.918 1.00 0.00 H new ATOM 285 N ASN A 18 -5.324 2.624 -10.005 1.00 0.00 N ATOM 286 CA ASN A 18 -5.097 2.395 -11.426 1.00 0.00 C ATOM 287 C ASN A 18 -6.057 3.207 -12.304 1.00 0.00 C ATOM 288 O ASN A 18 -5.639 3.744 -13.328 1.00 0.00 O ATOM 289 CB ASN A 18 -5.149 0.883 -11.733 1.00 0.00 C ATOM 290 CG ASN A 18 -6.426 0.436 -12.434 1.00 0.00 C ATOM 291 OD1 ASN A 18 -7.341 -0.084 -11.804 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.512 0.636 -13.734 1.00 0.00 N ATOM 0 H ASN A 18 -5.327 1.763 -9.459 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.098 2.754 -11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.294 0.620 -12.355 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.046 0.330 -10.800 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.353 0.356 -14.238 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.737 1.070 -14.236 1.00 0.00 H new ATOM 299 N GLY A 19 -7.321 3.309 -11.886 1.00 0.00 N ATOM 300 CA GLY A 19 -8.355 4.074 -12.554 1.00 0.00 C ATOM 301 C GLY A 19 -8.227 5.557 -12.219 1.00 0.00 C ATOM 302 O GLY A 19 -7.642 6.320 -12.991 1.00 0.00 O ATOM 0 H GLY A 19 -7.655 2.842 -11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.281 3.932 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.337 3.711 -12.251 1.00 0.00 H new ATOM 306 N LYS A 20 -8.732 5.980 -11.059 1.00 0.00 N ATOM 307 CA LYS A 20 -8.839 7.362 -10.597 1.00 0.00 C ATOM 308 C LYS A 20 -8.549 7.430 -9.092 1.00 0.00 C ATOM 309 O LYS A 20 -8.485 6.389 -8.437 1.00 0.00 O ATOM 310 CB LYS A 20 -10.246 7.899 -10.918 1.00 0.00 C ATOM 311 CG LYS A 20 -10.309 8.555 -12.304 1.00 0.00 C ATOM 312 CD LYS A 20 -11.507 9.512 -12.368 1.00 0.00 C ATOM 313 CE LYS A 20 -11.417 10.492 -13.542 1.00 0.00 C ATOM 314 NZ LYS A 20 -12.335 11.635 -13.344 1.00 0.00 N ATOM 0 H LYS A 20 -9.101 5.321 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.106 7.984 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.965 7.082 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.539 8.625 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.385 9.099 -12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.400 7.790 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.426 8.932 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.569 10.073 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.394 10.855 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.664 9.978 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.258 12.286 -14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.312 11.287 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.081 12.137 -12.469 1.00 0.00 H new ATOM 328 N PRO A 21 -8.320 8.621 -8.513 1.00 0.00 N ATOM 329 CA PRO A 21 -8.196 8.773 -7.073 1.00 0.00 C ATOM 330 C PRO A 21 -9.432 8.293 -6.312 1.00 0.00 C ATOM 331 O PRO A 21 -10.496 8.032 -6.879 1.00 0.00 O ATOM 332 CB PRO A 21 -7.884 10.250 -6.826 1.00 0.00 C ATOM 333 CG PRO A 21 -8.375 10.956 -8.081 1.00 0.00 C ATOM 334 CD PRO A 21 -8.154 9.908 -9.164 1.00 0.00 C ATOM 0 HA PRO A 21 -7.397 8.139 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.394 10.620 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.817 10.410 -6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.424 11.240 -8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.812 11.868 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.870 10.030 -9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.159 10.000 -9.599 1.00 0.00 H new ATOM 342 N VAL A 22 -9.269 8.192 -5.001 1.00 0.00 N ATOM 343 CA VAL A 22 -10.254 7.754 -4.019 1.00 0.00 C ATOM 344 C VAL A 22 -10.522 8.931 -3.067 1.00 0.00 C ATOM 345 O VAL A 22 -9.865 9.973 -3.162 1.00 0.00 O ATOM 346 CB VAL A 22 -9.763 6.432 -3.386 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.419 6.572 -2.655 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.802 5.791 -2.457 1.00 0.00 C ATOM 0 H VAL A 22 -8.380 8.431 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.227 7.504 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.611 5.765 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.132 5.609 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.655 6.903 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.515 7.304 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.399 4.867 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.038 6.479 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.708 5.571 -3.021 1.00 0.00 H new ATOM 358 N THR A 23 -11.571 8.877 -2.248 1.00 0.00 N ATOM 359 CA THR A 23 -11.948 9.958 -1.335 1.00 0.00 C ATOM 360 C THR A 23 -12.193 9.398 0.072 1.00 0.00 C ATOM 361 O THR A 23 -12.445 8.196 0.225 1.00 0.00 O ATOM 362 CB THR A 23 -13.131 10.702 -1.962 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.762 11.104 -3.275 1.00 0.00 O ATOM 364 CG2 THR A 23 -13.574 11.936 -1.184 1.00 0.00 C ATOM 0 H THR A 23 -12.193 8.070 -2.198 1.00 0.00 H new ATOM 0 HA THR A 23 -11.150 10.688 -1.198 1.00 0.00 H new ATOM 0 HB THR A 23 -13.975 10.012 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.509 11.581 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.416 12.405 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.876 11.643 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.747 12.644 -1.122 1.00 0.00 H new ATOM 372 N SER A 24 -12.066 10.246 1.096 1.00 0.00 N ATOM 373 CA SER A 24 -11.898 9.880 2.473 1.00 0.00 C ATOM 374 C SER A 24 -12.401 11.015 3.345 1.00 0.00 C ATOM 375 O SER A 24 -12.149 12.195 3.083 1.00 0.00 O ATOM 376 CB SER A 24 -10.429 9.536 2.732 1.00 0.00 C ATOM 377 OG SER A 24 -9.643 10.622 3.192 1.00 0.00 O ATOM 0 H SER A 24 -12.081 11.257 0.961 1.00 0.00 H new ATOM 0 HA SER A 24 -12.481 8.992 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.381 8.733 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.991 9.152 1.811 1.00 0.00 H new ATOM 0 HG SER A 24 -8.912 10.787 2.560 1.00 0.00 H new ATOM 383 N ASP A 25 -13.141 10.665 4.380 1.00 0.00 N ATOM 384 CA ASP A 25 -13.467 11.536 5.510 1.00 0.00 C ATOM 385 C ASP A 25 -12.206 11.738 6.344 1.00 0.00 C ATOM 386 O ASP A 25 -12.120 11.299 7.495 1.00 0.00 O ATOM 387 CB ASP A 25 -14.569 10.947 6.395 1.00 0.00 C ATOM 388 CG ASP A 25 -15.890 10.837 5.652 1.00 0.00 C ATOM 389 OD1 ASP A 25 -15.989 9.948 4.775 1.00 0.00 O ATOM 390 OD2 ASP A 25 -16.805 11.654 5.910 1.00 0.00 O ATOM 0 H ASP A 25 -13.550 9.734 4.467 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.836 12.483 5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.266 9.960 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.699 11.573 7.278 1.00 0.00 H new ATOM 395 N LYS A 26 -11.185 12.359 5.750 1.00 0.00 N ATOM 396 CA LYS A 26 -9.903 12.629 6.389 1.00 0.00 C ATOM 397 C LYS A 26 -9.135 11.350 6.794 1.00 0.00 C ATOM 398 O LYS A 26 -8.040 11.450 7.346 1.00 0.00 O ATOM 399 CB LYS A 26 -10.179 13.656 7.500 1.00 0.00 C ATOM 400 CG LYS A 26 -8.938 14.106 8.251 1.00 0.00 C ATOM 401 CD LYS A 26 -9.083 15.575 8.653 1.00 0.00 C ATOM 402 CE LYS A 26 -7.975 16.048 9.592 1.00 0.00 C ATOM 403 NZ LYS A 26 -6.635 15.852 9.009 1.00 0.00 N ATOM 0 H LYS A 26 -11.232 12.695 4.788 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.187 13.068 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.661 14.529 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.885 13.226 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.794 13.489 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.055 13.976 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.080 16.194 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.049 15.720 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.120 17.104 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.043 15.505 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.918 16.263 9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.452 14.835 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.588 16.320 8.082 1.00 0.00 H new ATOM 417 N ASN A 27 -9.629 10.155 6.453 1.00 0.00 N ATOM 418 CA ASN A 27 -9.045 8.858 6.791 1.00 0.00 C ATOM 419 C ASN A 27 -8.889 8.049 5.499 1.00 0.00 C ATOM 420 O ASN A 27 -9.745 7.205 5.199 1.00 0.00 O ATOM 421 CB ASN A 27 -9.904 8.132 7.840 1.00 0.00 C ATOM 422 CG ASN A 27 -9.888 8.850 9.181 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.840 9.239 9.685 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.044 9.048 9.787 1.00 0.00 N ATOM 0 H ASN A 27 -10.487 10.064 5.909 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.061 8.988 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.930 8.057 7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.536 7.114 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.073 9.530 10.686 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.908 8.719 9.357 1.00 0.00 H new ATOM 431 N PRO A 28 -7.875 8.359 4.671 1.00 0.00 N ATOM 432 CA PRO A 28 -7.653 7.723 3.375 1.00 0.00 C ATOM 433 C PRO A 28 -7.020 6.338 3.523 1.00 0.00 C ATOM 434 O PRO A 28 -6.442 6.054 4.575 1.00 0.00 O ATOM 435 CB PRO A 28 -6.695 8.667 2.638 1.00 0.00 C ATOM 436 CG PRO A 28 -5.866 9.272 3.769 1.00 0.00 C ATOM 437 CD PRO A 28 -6.892 9.410 4.888 1.00 0.00 C ATOM 0 HA PRO A 28 -8.591 7.569 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.071 8.130 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.234 9.432 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.037 8.625 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.438 10.235 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.419 9.305 5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.362 10.393 4.866 1.00 0.00 H new ATOM 445 N PRO A 29 -7.023 5.521 2.453 1.00 0.00 N ATOM 446 CA PRO A 29 -6.145 4.370 2.340 1.00 0.00 C ATOM 447 C PRO A 29 -4.705 4.871 2.227 1.00 0.00 C ATOM 448 O PRO A 29 -4.158 5.048 1.141 1.00 0.00 O ATOM 449 CB PRO A 29 -6.611 3.593 1.105 1.00 0.00 C ATOM 450 CG PRO A 29 -7.333 4.627 0.249 1.00 0.00 C ATOM 451 CD PRO A 29 -7.794 5.701 1.228 1.00 0.00 C ATOM 0 HA PRO A 29 -6.181 3.709 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.768 3.155 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.274 2.773 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.670 5.043 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.179 4.183 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.632 6.696 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.862 5.609 1.427 1.00 0.00 H new ATOM 459 N GLU A 30 -4.077 5.161 3.356 1.00 0.00 N ATOM 460 CA GLU A 30 -2.636 5.298 3.433 1.00 0.00 C ATOM 461 C GLU A 30 -2.032 3.942 3.797 1.00 0.00 C ATOM 462 O GLU A 30 -2.735 3.033 4.261 1.00 0.00 O ATOM 463 CB GLU A 30 -2.254 6.439 4.389 1.00 0.00 C ATOM 464 CG GLU A 30 -2.716 6.200 5.827 1.00 0.00 C ATOM 465 CD GLU A 30 -2.402 7.407 6.707 1.00 0.00 C ATOM 466 OE1 GLU A 30 -1.270 7.507 7.227 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.219 8.347 6.813 1.00 0.00 O ATOM 0 H GLU A 30 -4.556 5.308 4.245 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.217 5.584 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.171 6.566 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.688 7.370 4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.788 6.004 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.224 5.314 6.229 1.00 0.00 H new ATOM 474 N ILE A 31 -0.729 3.822 3.578 1.00 0.00 N ATOM 475 CA ILE A 31 0.099 2.707 3.992 1.00 0.00 C ATOM 476 C ILE A 31 1.315 3.320 4.695 1.00 0.00 C ATOM 477 O ILE A 31 1.709 4.462 4.423 1.00 0.00 O ATOM 478 CB ILE A 31 0.421 1.821 2.757 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.800 0.381 3.160 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.496 2.426 1.832 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.909 -0.556 1.950 1.00 0.00 C ATOM 0 H ILE A 31 -0.199 4.538 3.082 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.386 2.030 4.695 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.505 1.784 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.751 0.394 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.053 -0.008 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.671 1.755 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.155 3.392 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.423 2.559 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.178 -1.557 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.049 -0.593 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.676 -0.185 1.270 1.00 0.00 H new ATOM 493 N SER A 32 1.924 2.567 5.596 1.00 0.00 N ATOM 494 CA SER A 32 3.216 2.875 6.164 1.00 0.00 C ATOM 495 C SER A 32 3.933 1.550 6.389 1.00 0.00 C ATOM 496 O SER A 32 3.363 0.465 6.218 1.00 0.00 O ATOM 497 CB SER A 32 3.047 3.697 7.452 1.00 0.00 C ATOM 498 OG SER A 32 4.233 4.417 7.728 1.00 0.00 O ATOM 0 H SER A 32 1.519 1.704 5.959 1.00 0.00 H new ATOM 0 HA SER A 32 3.817 3.493 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.210 4.387 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.811 3.036 8.286 1.00 0.00 H new ATOM 0 HG SER A 32 4.115 4.939 8.549 1.00 0.00 H new ATOM 504 N PHE A 33 5.198 1.649 6.762 1.00 0.00 N ATOM 505 CA PHE A 33 6.069 0.524 7.016 1.00 0.00 C ATOM 506 C PHE A 33 6.837 0.834 8.297 1.00 0.00 C ATOM 507 O PHE A 33 6.901 2.005 8.692 1.00 0.00 O ATOM 508 CB PHE A 33 7.012 0.352 5.815 1.00 0.00 C ATOM 509 CG PHE A 33 6.347 0.240 4.453 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.819 -0.992 4.032 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.277 1.356 3.591 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.244 -1.116 2.756 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.694 1.231 2.316 1.00 0.00 C ATOM 514 CZ PHE A 33 5.185 -0.010 1.893 1.00 0.00 C ATOM 0 H PHE A 33 5.659 2.549 6.900 1.00 0.00 H new ATOM 0 HA PHE A 33 5.518 -0.408 7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.698 1.199 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.614 -0.542 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.855 -1.847 4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.672 2.309 3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.845 -2.068 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.637 2.089 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.751 -0.112 0.909 1.00 0.00 H new ATOM 524 N GLY A 34 7.451 -0.161 8.944 1.00 0.00 N ATOM 525 CA GLY A 34 8.317 0.177 10.063 1.00 0.00 C ATOM 526 C GLY A 34 8.728 -0.987 10.907 1.00 0.00 C ATOM 527 O GLY A 34 7.903 -1.484 11.662 1.00 0.00 O ATOM 0 H GLY A 34 7.369 -1.154 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.213 0.664 9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.806 0.904 10.694 1.00 0.00 H new ATOM 531 N GLU A 35 10.026 -1.256 10.857 1.00 0.00 N ATOM 532 CA GLU A 35 10.848 -2.352 11.311 1.00 0.00 C ATOM 533 C GLU A 35 10.651 -3.496 10.315 1.00 0.00 C ATOM 534 O GLU A 35 9.554 -3.683 9.793 1.00 0.00 O ATOM 535 CB GLU A 35 10.516 -2.679 12.779 1.00 0.00 C ATOM 536 CG GLU A 35 9.510 -3.819 12.912 1.00 0.00 C ATOM 537 CD GLU A 35 9.008 -4.022 14.346 1.00 0.00 C ATOM 538 OE1 GLU A 35 9.770 -4.567 15.176 1.00 0.00 O ATOM 539 OE2 GLU A 35 7.825 -3.719 14.646 1.00 0.00 O ATOM 0 H GLU A 35 10.630 -0.568 10.407 1.00 0.00 H new ATOM 0 HA GLU A 35 11.912 -2.118 11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.433 -2.945 13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.117 -1.788 13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.658 -3.620 12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.970 -4.743 12.562 1.00 0.00 H new ATOM 546 N LYS A 36 11.726 -4.215 9.984 1.00 0.00 N ATOM 547 CA LYS A 36 11.753 -5.398 9.115 1.00 0.00 C ATOM 548 C LYS A 36 10.984 -5.283 7.781 1.00 0.00 C ATOM 549 O LYS A 36 10.665 -6.311 7.185 1.00 0.00 O ATOM 550 CB LYS A 36 11.286 -6.610 9.934 1.00 0.00 C ATOM 551 CG LYS A 36 12.224 -6.977 11.087 1.00 0.00 C ATOM 552 CD LYS A 36 11.631 -8.070 11.986 1.00 0.00 C ATOM 553 CE LYS A 36 11.231 -9.378 11.282 1.00 0.00 C ATOM 554 NZ LYS A 36 9.899 -9.325 10.633 1.00 0.00 N ATOM 0 H LYS A 36 12.654 -3.975 10.334 1.00 0.00 H new ATOM 0 HA LYS A 36 12.786 -5.512 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.294 -6.404 10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.188 -7.469 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.178 -7.317 10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.429 -6.088 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.357 -8.307 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.750 -7.665 12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.982 -9.619 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.238 -10.189 12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.364 -10.185 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.380 -8.491 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.018 -9.262 9.602 1.00 0.00 H new ATOM 568 N MET A 37 10.699 -4.080 7.289 1.00 0.00 N ATOM 569 CA MET A 37 9.784 -3.788 6.192 1.00 0.00 C ATOM 570 C MET A 37 8.390 -4.383 6.397 1.00 0.00 C ATOM 571 O MET A 37 7.697 -4.728 5.440 1.00 0.00 O ATOM 572 CB MET A 37 10.429 -4.093 4.823 1.00 0.00 C ATOM 573 CG MET A 37 10.599 -2.805 4.015 1.00 0.00 C ATOM 574 SD MET A 37 10.130 -2.895 2.283 1.00 0.00 S ATOM 575 CE MET A 37 8.358 -2.617 2.499 1.00 0.00 C ATOM 0 H MET A 37 11.126 -3.235 7.668 1.00 0.00 H new ATOM 0 HA MET A 37 9.601 -2.713 6.193 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.399 -4.569 4.969 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.808 -4.798 4.270 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.010 -2.021 4.490 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.643 -2.498 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.866 -2.634 1.527 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.941 -3.401 3.131 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.197 -1.647 2.970 1.00 0.00 H new ATOM 585 N MET A 38 7.939 -4.439 7.651 1.00 0.00 N ATOM 586 CA MET A 38 6.559 -4.743 7.976 1.00 0.00 C ATOM 587 C MET A 38 5.662 -3.652 7.398 1.00 0.00 C ATOM 588 O MET A 38 6.153 -2.580 7.043 1.00 0.00 O ATOM 589 CB MET A 38 6.421 -4.930 9.491 1.00 0.00 C ATOM 590 CG MET A 38 5.986 -3.718 10.311 1.00 0.00 C ATOM 591 SD MET A 38 4.736 -4.057 11.566 1.00 0.00 S ATOM 592 CE MET A 38 3.271 -4.255 10.533 1.00 0.00 C ATOM 0 H MET A 38 8.528 -4.273 8.467 1.00 0.00 H new ATOM 0 HA MET A 38 6.238 -5.682 7.525 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.704 -5.731 9.668 1.00 0.00 H new ATOM 0 HB3 MET A 38 7.381 -5.271 9.877 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.864 -3.294 10.799 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.601 -2.958 9.632 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.436 -4.592 11.147 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.020 -3.300 10.071 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.471 -4.993 9.756 1.00 0.00 H new ATOM 602 N ILE A 39 4.359 -3.900 7.349 1.00 0.00 N ATOM 603 CA ILE A 39 3.408 -3.080 6.612 1.00 0.00 C ATOM 604 C ILE A 39 2.200 -2.854 7.517 1.00 0.00 C ATOM 605 O ILE A 39 1.618 -3.831 8.008 1.00 0.00 O ATOM 606 CB ILE A 39 2.975 -3.775 5.298 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.094 -4.483 4.500 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.245 -2.767 4.396 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.544 -5.366 3.372 1.00 0.00 C ATOM 0 H ILE A 39 3.927 -4.690 7.829 1.00 0.00 H new ATOM 0 HA ILE A 39 3.867 -2.131 6.337 1.00 0.00 H new ATOM 0 HB ILE A 39 2.315 -4.582 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.763 -3.734 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.688 -5.095 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.941 -3.259 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.363 -2.389 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.912 -1.937 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.372 -5.839 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.896 -6.134 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.973 -4.752 2.675 1.00 0.00 H new ATOM 621 N SER A 40 1.806 -1.593 7.685 1.00 0.00 N ATOM 622 CA SER A 40 0.535 -1.192 8.272 1.00 0.00 C ATOM 623 C SER A 40 -0.236 -0.379 7.227 1.00 0.00 C ATOM 624 O SER A 40 0.364 0.314 6.405 1.00 0.00 O ATOM 625 CB SER A 40 0.791 -0.382 9.547 1.00 0.00 C ATOM 626 OG SER A 40 1.592 -1.118 10.453 1.00 0.00 O ATOM 0 H SER A 40 2.383 -0.799 7.407 1.00 0.00 H new ATOM 0 HA SER A 40 -0.060 -2.061 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.286 0.556 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.158 -0.125 10.018 1.00 0.00 H new ATOM 0 HG SER A 40 1.747 -0.585 11.261 1.00 0.00 H new ATOM 632 N GLY A 41 -1.566 -0.453 7.231 1.00 0.00 N ATOM 633 CA GLY A 41 -2.416 0.230 6.267 1.00 0.00 C ATOM 634 C GLY A 41 -3.862 -0.204 6.459 1.00 0.00 C ATOM 635 O GLY A 41 -4.162 -1.007 7.352 1.00 0.00 O ATOM 0 H GLY A 41 -2.088 -0.999 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.331 1.309 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.089 0.001 5.253 1.00 0.00 H new ATOM 639 N SER A 42 -4.783 0.351 5.671 1.00 0.00 N ATOM 640 CA SER A 42 -6.206 0.065 5.816 1.00 0.00 C ATOM 641 C SER A 42 -6.980 0.489 4.559 1.00 0.00 C ATOM 642 O SER A 42 -7.333 1.657 4.430 1.00 0.00 O ATOM 643 CB SER A 42 -6.740 0.705 7.127 1.00 0.00 C ATOM 644 OG SER A 42 -5.884 1.666 7.725 1.00 0.00 O ATOM 0 H SER A 42 -4.564 1.006 4.921 1.00 0.00 H new ATOM 0 HA SER A 42 -6.361 -1.010 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.699 1.178 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.928 -0.089 7.849 1.00 0.00 H new ATOM 0 HG SER A 42 -6.302 2.014 8.540 1.00 0.00 H new ATOM 650 N MET A 43 -7.242 -0.440 3.625 1.00 0.00 N ATOM 651 CA MET A 43 -8.086 -0.165 2.455 1.00 0.00 C ATOM 652 C MET A 43 -9.550 -0.031 2.874 1.00 0.00 C ATOM 653 O MET A 43 -10.113 1.061 2.817 1.00 0.00 O ATOM 654 CB MET A 43 -7.949 -1.253 1.374 1.00 0.00 C ATOM 655 CG MET A 43 -6.607 -1.247 0.643 1.00 0.00 C ATOM 656 SD MET A 43 -6.143 0.306 -0.167 1.00 0.00 S ATOM 657 CE MET A 43 -4.842 -0.314 -1.264 1.00 0.00 C ATOM 0 H MET A 43 -6.878 -1.392 3.660 1.00 0.00 H new ATOM 0 HA MET A 43 -7.743 0.776 2.025 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.093 -2.229 1.837 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.748 -1.126 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.826 -1.507 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.624 -2.034 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.236 0.520 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.210 -1.015 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.295 -0.820 -2.116 1.00 0.00 H new ATOM 667 N CYS A 44 -10.155 -1.143 3.297 1.00 0.00 N ATOM 668 CA CYS A 44 -11.480 -1.189 3.902 1.00 0.00 C ATOM 669 C CYS A 44 -11.372 -2.116 5.111 1.00 0.00 C ATOM 670 O CYS A 44 -11.533 -1.712 6.261 1.00 0.00 O ATOM 671 CB CYS A 44 -12.531 -1.652 2.876 1.00 0.00 C ATOM 672 SG CYS A 44 -14.237 -1.665 3.502 1.00 0.00 S ATOM 0 H CYS A 44 -9.720 -2.062 3.224 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.814 -0.204 4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.482 -1.000 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.273 -2.656 2.538 1.00 0.00 H new ATOM 677 N ASN A 45 -10.975 -3.361 4.852 1.00 0.00 N ATOM 678 CA ASN A 45 -10.885 -4.466 5.802 1.00 0.00 C ATOM 679 C ASN A 45 -9.654 -4.423 6.700 1.00 0.00 C ATOM 680 O ASN A 45 -9.246 -5.443 7.260 1.00 0.00 O ATOM 681 CB ASN A 45 -10.947 -5.762 4.991 1.00 0.00 C ATOM 682 CG ASN A 45 -12.407 -6.101 4.794 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.101 -6.271 5.783 1.00 0.00 O ATOM 684 ND2 ASN A 45 -12.940 -6.054 3.593 1.00 0.00 N ATOM 0 H ASN A 45 -10.690 -3.641 3.914 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.718 -4.393 6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.448 -5.638 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.433 -6.568 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.948 -6.160 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.346 -5.911 2.776 1.00 0.00 H new ATOM 691 N ARG A 46 -9.067 -3.242 6.881 1.00 0.00 N ATOM 692 CA ARG A 46 -7.716 -3.073 7.413 1.00 0.00 C ATOM 693 C ARG A 46 -6.738 -3.910 6.592 1.00 0.00 C ATOM 694 O ARG A 46 -7.107 -4.350 5.510 1.00 0.00 O ATOM 695 CB ARG A 46 -7.716 -3.339 8.931 1.00 0.00 C ATOM 696 CG ARG A 46 -7.894 -2.046 9.723 1.00 0.00 C ATOM 697 CD ARG A 46 -9.086 -1.175 9.311 1.00 0.00 C ATOM 698 NE ARG A 46 -8.978 0.133 9.955 1.00 0.00 N ATOM 699 CZ ARG A 46 -9.658 1.233 9.625 1.00 0.00 C ATOM 700 NH1 ARG A 46 -10.501 1.235 8.599 1.00 0.00 N ATOM 701 NH2 ARG A 46 -9.480 2.332 10.340 1.00 0.00 N ATOM 0 H ARG A 46 -9.526 -2.359 6.658 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.367 -2.045 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.518 -4.033 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.780 -3.817 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.999 -2.299 10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.984 -1.454 9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.108 -1.058 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.020 -1.658 9.598 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.320 0.213 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.637 0.387 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.013 2.085 8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.832 2.329 11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.991 3.183 10.103 1.00 0.00 H new ATOM 715 N PHE A 47 -5.478 -3.982 7.003 1.00 0.00 N ATOM 716 CA PHE A 47 -4.520 -5.044 6.687 1.00 0.00 C ATOM 717 C PHE A 47 -3.224 -4.718 7.419 1.00 0.00 C ATOM 718 O PHE A 47 -2.863 -3.546 7.586 1.00 0.00 O ATOM 719 CB PHE A 47 -4.252 -5.253 5.179 1.00 0.00 C ATOM 720 CG PHE A 47 -3.688 -4.076 4.389 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.438 -2.910 4.130 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.393 -4.168 3.862 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.898 -1.870 3.346 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.837 -3.121 3.116 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.595 -1.979 2.830 1.00 0.00 C ATOM 0 H PHE A 47 -5.070 -3.262 7.600 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.955 -5.988 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.561 -6.089 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.189 -5.553 4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.434 -2.813 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.813 -5.063 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.487 -0.988 3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.820 -3.195 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.183 -1.190 2.219 1.00 0.00 H new ATOM 735 N SER A 48 -2.512 -5.740 7.868 1.00 0.00 N ATOM 736 CA SER A 48 -1.226 -5.599 8.534 1.00 0.00 C ATOM 737 C SER A 48 -0.440 -6.885 8.304 1.00 0.00 C ATOM 738 O SER A 48 -1.052 -7.958 8.248 1.00 0.00 O ATOM 739 CB SER A 48 -1.416 -5.333 10.034 1.00 0.00 C ATOM 740 OG SER A 48 -2.723 -5.626 10.524 1.00 0.00 O ATOM 0 H SER A 48 -2.817 -6.709 7.778 1.00 0.00 H new ATOM 0 HA SER A 48 -0.680 -4.748 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.691 -5.927 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.192 -4.286 10.236 1.00 0.00 H new ATOM 0 HG SER A 48 -2.763 -5.433 11.484 1.00 0.00 H new ATOM 746 N GLY A 49 0.888 -6.806 8.178 1.00 0.00 N ATOM 747 CA GLY A 49 1.678 -8.004 7.977 1.00 0.00 C ATOM 748 C GLY A 49 3.162 -7.713 7.873 1.00 0.00 C ATOM 749 O GLY A 49 3.580 -6.588 7.597 1.00 0.00 O ATOM 0 H GLY A 49 1.422 -5.938 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.504 -8.693 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.345 -8.506 7.068 1.00 0.00 H new ATOM 753 N GLU A 50 3.958 -8.764 8.023 1.00 0.00 N ATOM 754 CA GLU A 50 5.372 -8.784 7.702 1.00 0.00 C ATOM 755 C GLU A 50 5.513 -8.724 6.182 1.00 0.00 C ATOM 756 O GLU A 50 5.409 -9.750 5.497 1.00 0.00 O ATOM 757 CB GLU A 50 6.010 -10.075 8.229 1.00 0.00 C ATOM 758 CG GLU A 50 6.159 -10.073 9.750 1.00 0.00 C ATOM 759 CD GLU A 50 6.396 -11.490 10.269 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.242 -12.225 9.702 1.00 0.00 O ATOM 761 OE2 GLU A 50 5.719 -11.895 11.240 1.00 0.00 O ATOM 0 H GLU A 50 3.621 -9.656 8.385 1.00 0.00 H new ATOM 0 HA GLU A 50 5.875 -7.935 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.401 -10.927 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.990 -10.206 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.991 -9.430 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.261 -9.657 10.208 1.00 0.00 H new ATOM 768 N GLY A 51 5.742 -7.522 5.669 1.00 0.00 N ATOM 769 CA GLY A 51 6.389 -7.303 4.385 1.00 0.00 C ATOM 770 C GLY A 51 7.875 -7.625 4.477 1.00 0.00 C ATOM 771 O GLY A 51 8.395 -7.916 5.559 1.00 0.00 O ATOM 0 H GLY A 51 5.478 -6.658 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.922 -7.928 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.253 -6.267 4.074 1.00 0.00 H new ATOM 775 N LYS A 52 8.566 -7.552 3.341 1.00 0.00 N ATOM 776 CA LYS A 52 10.018 -7.573 3.224 1.00 0.00 C ATOM 777 C LYS A 52 10.354 -7.071 1.819 1.00 0.00 C ATOM 778 O LYS A 52 9.547 -7.268 0.910 1.00 0.00 O ATOM 779 CB LYS A 52 10.523 -9.008 3.446 1.00 0.00 C ATOM 780 CG LYS A 52 12.040 -9.047 3.640 1.00 0.00 C ATOM 781 CD LYS A 52 12.467 -10.421 4.169 1.00 0.00 C ATOM 782 CE LYS A 52 13.969 -10.515 4.425 1.00 0.00 C ATOM 783 NZ LYS A 52 14.777 -10.098 3.262 1.00 0.00 N ATOM 0 H LYS A 52 8.104 -7.473 2.435 1.00 0.00 H new ATOM 0 HA LYS A 52 10.499 -6.939 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.033 -9.436 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.249 -9.627 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.541 -8.841 2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.345 -8.268 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.931 -10.632 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.177 -11.188 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.226 -9.892 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.224 -11.541 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.781 -10.294 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.472 -10.627 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.648 -9.079 3.097 1.00 0.00 H new ATOM 797 N LEU A 53 11.531 -6.476 1.622 1.00 0.00 N ATOM 798 CA LEU A 53 12.070 -6.120 0.310 1.00 0.00 C ATOM 799 C LEU A 53 13.511 -6.612 0.210 1.00 0.00 C ATOM 800 O LEU A 53 14.326 -6.373 1.103 1.00 0.00 O ATOM 801 CB LEU A 53 11.964 -4.601 0.113 1.00 0.00 C ATOM 802 CG LEU A 53 12.628 -4.013 -1.145 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.077 -4.625 -2.436 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.344 -2.512 -1.199 1.00 0.00 C ATOM 0 H LEU A 53 12.151 -6.222 2.391 1.00 0.00 H new ATOM 0 HA LEU A 53 11.498 -6.598 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.907 -4.334 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.400 -4.115 0.985 1.00 0.00 H new ATOM 0 HG LEU A 53 13.694 -4.231 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.578 -4.177 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.254 -5.700 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.006 -4.434 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.810 -2.085 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.267 -2.347 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.752 -2.032 -0.309 1.00 0.00 H new ATOM 816 N SER A 54 13.821 -7.304 -0.885 1.00 0.00 N ATOM 817 CA SER A 54 15.150 -7.826 -1.200 1.00 0.00 C ATOM 818 C SER A 54 15.480 -7.649 -2.689 1.00 0.00 C ATOM 819 O SER A 54 16.656 -7.551 -3.049 1.00 0.00 O ATOM 820 CB SER A 54 15.157 -9.303 -0.773 1.00 0.00 C ATOM 821 OG SER A 54 16.346 -10.003 -1.070 1.00 0.00 O ATOM 0 H SER A 54 13.130 -7.524 -1.602 1.00 0.00 H new ATOM 0 HA SER A 54 15.925 -7.277 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.980 -9.356 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.323 -9.810 -1.259 1.00 0.00 H new ATOM 0 HG SER A 54 16.265 -10.930 -0.764 1.00 0.00 H new ATOM 827 N ASN A 55 14.456 -7.613 -3.549 1.00 0.00 N ATOM 828 CA ASN A 55 14.542 -8.003 -4.955 1.00 0.00 C ATOM 829 C ASN A 55 13.628 -7.181 -5.872 1.00 0.00 C ATOM 830 O ASN A 55 13.349 -7.626 -6.983 1.00 0.00 O ATOM 831 CB ASN A 55 14.185 -9.501 -5.068 1.00 0.00 C ATOM 832 CG ASN A 55 12.736 -9.795 -4.679 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.325 -9.468 -3.565 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.960 -10.427 -5.539 1.00 0.00 N ATOM 0 H ASN A 55 13.523 -7.304 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 55 15.561 -7.810 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.357 -9.835 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.853 -10.078 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.998 -10.654 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.322 -10.688 -6.456 1.00 0.00 H new ATOM 841 N GLY A 56 13.151 -6.014 -5.428 1.00 0.00 N ATOM 842 CA GLY A 56 12.229 -5.192 -6.206 1.00 0.00 C ATOM 843 C GLY A 56 10.782 -5.663 -6.105 1.00 0.00 C ATOM 844 O GLY A 56 9.990 -5.366 -6.995 1.00 0.00 O ATOM 0 H GLY A 56 13.395 -5.616 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.294 -4.159 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.536 -5.201 -7.252 1.00 0.00 H new ATOM 848 N GLU A 57 10.427 -6.395 -5.044 1.00 0.00 N ATOM 849 CA GLU A 57 9.130 -7.019 -4.861 1.00 0.00 C ATOM 850 C GLU A 57 8.779 -7.022 -3.371 1.00 0.00 C ATOM 851 O GLU A 57 9.647 -7.266 -2.524 1.00 0.00 O ATOM 852 CB GLU A 57 9.255 -8.452 -5.380 1.00 0.00 C ATOM 853 CG GLU A 57 7.989 -9.312 -5.288 1.00 0.00 C ATOM 854 CD GLU A 57 8.320 -10.783 -5.566 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.296 -11.301 -4.973 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.603 -11.458 -6.336 1.00 0.00 O ATOM 0 H GLU A 57 11.064 -6.570 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 57 8.345 -6.484 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.569 -8.414 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.050 -8.950 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.546 -9.213 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.248 -8.958 -6.005 1.00 0.00 H new ATOM 863 N LEU A 58 7.499 -6.804 -3.066 1.00 0.00 N ATOM 864 CA LEU A 58 6.895 -6.822 -1.738 1.00 0.00 C ATOM 865 C LEU A 58 5.753 -7.838 -1.678 1.00 0.00 C ATOM 866 O LEU A 58 4.641 -7.585 -2.145 1.00 0.00 O ATOM 867 CB LEU A 58 6.417 -5.405 -1.397 1.00 0.00 C ATOM 868 CG LEU A 58 5.752 -5.241 -0.022 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.757 -5.506 1.105 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.180 -3.822 0.104 1.00 0.00 C ATOM 0 H LEU A 58 6.813 -6.596 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 58 7.631 -7.133 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.271 -4.730 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.710 -5.085 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 58 4.945 -5.968 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.263 -5.384 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.140 -6.523 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.584 -4.800 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.708 -3.705 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.985 -3.095 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.440 -3.657 -0.679 1.00 0.00 H new ATOM 882 N THR A 59 6.025 -8.996 -1.083 1.00 0.00 N ATOM 883 CA THR A 59 5.018 -9.958 -0.639 1.00 0.00 C ATOM 884 C THR A 59 4.571 -9.624 0.796 1.00 0.00 C ATOM 885 O THR A 59 5.280 -8.902 1.509 1.00 0.00 O ATOM 886 CB THR A 59 5.606 -11.383 -0.716 1.00 0.00 C ATOM 887 OG1 THR A 59 6.921 -11.450 -0.167 1.00 0.00 O ATOM 888 CG2 THR A 59 5.650 -11.903 -2.152 1.00 0.00 C ATOM 0 H THR A 59 6.979 -9.301 -0.890 1.00 0.00 H new ATOM 0 HA THR A 59 4.144 -9.904 -1.288 1.00 0.00 H new ATOM 0 HB THR A 59 4.939 -12.010 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.257 -12.368 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.070 -12.909 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.640 -11.928 -2.561 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.271 -11.244 -2.759 1.00 0.00 H new ATOM 896 N ALA A 60 3.479 -10.228 1.280 1.00 0.00 N ATOM 897 CA ALA A 60 3.122 -10.303 2.695 1.00 0.00 C ATOM 898 C ALA A 60 2.743 -11.740 3.052 1.00 0.00 C ATOM 899 O ALA A 60 1.687 -12.246 2.678 1.00 0.00 O ATOM 900 CB ALA A 60 1.984 -9.349 3.034 1.00 0.00 C ATOM 0 H ALA A 60 2.801 -10.691 0.676 1.00 0.00 H new ATOM 0 HA ALA A 60 3.987 -10.000 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.744 -9.431 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.287 -8.327 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.105 -9.606 2.442 1.00 0.00 H new ATOM 906 N LYS A 61 3.627 -12.407 3.792 1.00 0.00 N ATOM 907 CA LYS A 61 3.545 -13.828 4.129 1.00 0.00 C ATOM 908 C LYS A 61 2.382 -14.219 5.060 1.00 0.00 C ATOM 909 O LYS A 61 2.339 -15.371 5.497 1.00 0.00 O ATOM 910 CB LYS A 61 4.929 -14.278 4.660 1.00 0.00 C ATOM 911 CG LYS A 61 5.502 -15.371 3.749 1.00 0.00 C ATOM 912 CD LYS A 61 6.978 -15.676 4.005 1.00 0.00 C ATOM 913 CE LYS A 61 7.415 -16.705 2.957 1.00 0.00 C ATOM 914 NZ LYS A 61 8.816 -17.120 3.132 1.00 0.00 N ATOM 0 H LYS A 61 4.451 -11.956 4.189 1.00 0.00 H new ATOM 0 HA LYS A 61 3.298 -14.371 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.610 -13.427 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.834 -14.653 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.923 -16.284 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.378 -15.067 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.578 -14.769 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.121 -16.068 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.769 -17.580 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.285 -16.283 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.066 -17.816 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.437 -16.290 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.937 -17.547 4.072 1.00 0.00 H new ATOM 928 N GLY A 62 1.451 -13.328 5.401 1.00 0.00 N ATOM 929 CA GLY A 62 0.310 -13.595 6.272 1.00 0.00 C ATOM 930 C GLY A 62 -0.851 -12.695 5.875 1.00 0.00 C ATOM 931 O GLY A 62 -1.786 -13.148 5.223 1.00 0.00 O ATOM 0 H GLY A 62 1.473 -12.365 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.016 -14.642 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.583 -13.417 7.312 1.00 0.00 H new ATOM 935 N LEU A 63 -0.718 -11.404 6.162 1.00 0.00 N ATOM 936 CA LEU A 63 -1.615 -10.300 5.911 1.00 0.00 C ATOM 937 C LEU A 63 -2.977 -10.458 6.598 1.00 0.00 C ATOM 938 O LEU A 63 -3.931 -10.994 6.040 1.00 0.00 O ATOM 939 CB LEU A 63 -1.714 -10.092 4.416 1.00 0.00 C ATOM 940 CG LEU A 63 -2.228 -8.684 4.085 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.070 -7.934 3.433 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.472 -8.711 3.193 1.00 0.00 C ATOM 0 H LEU A 63 0.126 -11.077 6.633 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.204 -9.398 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.735 -10.242 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.383 -10.837 3.986 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.550 -8.176 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.389 -6.923 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.231 -7.886 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.762 -8.456 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.795 -7.690 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.236 -9.212 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.272 -9.250 3.700 1.00 0.00 H new ATOM 954 N ALA A 64 -3.060 -9.957 7.826 1.00 0.00 N ATOM 955 CA ALA A 64 -4.238 -10.028 8.675 1.00 0.00 C ATOM 956 C ALA A 64 -5.305 -9.023 8.229 1.00 0.00 C ATOM 957 O ALA A 64 -5.176 -7.833 8.539 1.00 0.00 O ATOM 958 CB ALA A 64 -3.809 -9.749 10.120 1.00 0.00 C ATOM 0 H ALA A 64 -2.280 -9.474 8.271 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.679 -11.022 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.680 -9.798 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.078 -10.495 10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.364 -8.756 10.182 1.00 0.00 H new ATOM 964 N MET A 65 -6.368 -9.467 7.550 1.00 0.00 N ATOM 965 CA MET A 65 -7.527 -8.637 7.207 1.00 0.00 C ATOM 966 C MET A 65 -8.767 -9.006 8.028 1.00 0.00 C ATOM 967 O MET A 65 -8.810 -10.034 8.709 1.00 0.00 O ATOM 968 CB MET A 65 -7.836 -8.739 5.705 1.00 0.00 C ATOM 969 CG MET A 65 -7.134 -7.661 4.894 1.00 0.00 C ATOM 970 SD MET A 65 -8.044 -7.242 3.390 1.00 0.00 S ATOM 971 CE MET A 65 -6.912 -6.034 2.688 1.00 0.00 C ATOM 0 H MET A 65 -6.448 -10.428 7.218 1.00 0.00 H new ATOM 0 HA MET A 65 -7.268 -7.607 7.452 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.532 -9.720 5.340 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.912 -8.662 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.015 -6.767 5.506 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.133 -8.001 4.629 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.199 -5.821 1.658 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.952 -5.115 3.273 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.898 -6.432 2.707 1.00 0.00 H new ATOM 981 N THR A 66 -9.785 -8.148 7.943 1.00 0.00 N ATOM 982 CA THR A 66 -11.054 -8.225 8.680 1.00 0.00 C ATOM 983 C THR A 66 -12.211 -8.641 7.753 1.00 0.00 C ATOM 984 O THR A 66 -11.973 -9.268 6.716 1.00 0.00 O ATOM 985 CB THR A 66 -11.301 -6.947 9.506 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.442 -5.814 8.698 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.174 -6.655 10.496 1.00 0.00 C ATOM 0 H THR A 66 -9.747 -7.336 7.326 1.00 0.00 H new ATOM 0 HA THR A 66 -10.991 -9.022 9.421 1.00 0.00 H new ATOM 0 HB THR A 66 -12.226 -7.147 10.047 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.768 -5.148 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.403 -5.744 11.049 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.077 -7.488 11.193 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.238 -6.525 9.953 1.00 0.00 H new ATOM 995 N ARG A 67 -13.468 -8.446 8.173 1.00 0.00 N ATOM 996 CA ARG A 67 -14.658 -8.648 7.340 1.00 0.00 C ATOM 997 C ARG A 67 -15.684 -7.554 7.634 1.00 0.00 C ATOM 998 O ARG A 67 -16.579 -7.707 8.469 1.00 0.00 O ATOM 999 CB ARG A 67 -15.227 -10.065 7.484 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.337 -10.561 8.938 1.00 0.00 C ATOM 1001 CD ARG A 67 -14.314 -11.656 9.243 1.00 0.00 C ATOM 1002 NE ARG A 67 -14.647 -12.896 8.529 1.00 0.00 N ATOM 1003 CZ ARG A 67 -14.373 -14.140 8.924 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -13.561 -14.374 9.949 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -14.936 -15.151 8.279 1.00 0.00 N ATOM 0 H ARG A 67 -13.689 -8.137 9.120 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.375 -8.562 6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.216 -10.095 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.596 -10.755 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.188 -9.724 9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.342 -10.943 9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -13.318 -11.320 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.287 -11.845 10.316 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.138 -12.795 7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.134 -13.595 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.364 -15.333 10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.565 -14.970 7.497 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.740 -16.110 8.564 1.00 0.00 H new ATOM 1019 N MET A 68 -15.509 -6.421 6.972 1.00 0.00 N ATOM 1020 CA MET A 68 -16.272 -5.188 7.032 1.00 0.00 C ATOM 1021 C MET A 68 -16.524 -4.700 5.599 1.00 0.00 C ATOM 1022 O MET A 68 -16.029 -5.270 4.625 1.00 0.00 O ATOM 1023 CB MET A 68 -15.477 -4.119 7.805 1.00 0.00 C ATOM 1024 CG MET A 68 -15.037 -4.562 9.204 1.00 0.00 C ATOM 1025 SD MET A 68 -14.405 -3.228 10.262 1.00 0.00 S ATOM 1026 CE MET A 68 -13.010 -2.615 9.275 1.00 0.00 C ATOM 0 H MET A 68 -14.742 -6.336 6.305 1.00 0.00 H new ATOM 0 HA MET A 68 -17.219 -5.363 7.543 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.594 -3.848 7.226 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.088 -3.221 7.895 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.884 -5.033 9.704 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.264 -5.323 9.102 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.390 -1.961 9.888 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.413 -3.458 8.926 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.388 -2.058 8.418 1.00 0.00 H new ATOM 1036 N MET A 69 -17.271 -3.608 5.470 1.00 0.00 N ATOM 1037 CA MET A 69 -17.486 -2.841 4.257 1.00 0.00 C ATOM 1038 C MET A 69 -17.340 -1.345 4.554 1.00 0.00 C ATOM 1039 O MET A 69 -17.111 -0.942 5.699 1.00 0.00 O ATOM 1040 CB MET A 69 -18.843 -3.198 3.638 1.00 0.00 C ATOM 1041 CG MET A 69 -20.082 -2.754 4.432 1.00 0.00 C ATOM 1042 SD MET A 69 -20.352 -3.557 6.042 1.00 0.00 S ATOM 1043 CE MET A 69 -20.448 -5.293 5.526 1.00 0.00 C ATOM 0 H MET A 69 -17.773 -3.213 6.265 1.00 0.00 H new ATOM 0 HA MET A 69 -16.728 -3.095 3.517 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.895 -2.754 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.888 -4.279 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.014 -1.678 4.595 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.963 -2.927 3.813 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.887 -5.887 6.328 1.00 0.00 H new ATOM 0 HE2 MET A 69 -21.068 -5.373 4.633 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.447 -5.663 5.306 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.464 -0.528 3.512 1.00 0.00 N ATOM 1054 CA CYS A 70 -17.170 0.897 3.493 1.00 0.00 C ATOM 1055 C CYS A 70 -18.180 1.601 2.601 1.00 0.00 C ATOM 1056 O CYS A 70 -18.624 1.025 1.605 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.760 1.059 2.928 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.472 0.540 4.091 1.00 0.00 S ATOM 0 H CYS A 70 -17.792 -0.865 2.607 1.00 0.00 H new ATOM 0 HA CYS A 70 -17.230 1.331 4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.672 0.475 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.600 2.103 2.658 1.00 0.00 H new ATOM 1063 N ALA A 71 -18.491 2.860 2.915 1.00 0.00 N ATOM 1064 CA ALA A 71 -19.602 3.597 2.306 1.00 0.00 C ATOM 1065 C ALA A 71 -19.304 4.128 0.893 1.00 0.00 C ATOM 1066 O ALA A 71 -19.958 5.069 0.443 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.083 4.704 3.254 1.00 0.00 C ATOM 0 H ALA A 71 -17.974 3.403 3.606 1.00 0.00 H new ATOM 0 HA ALA A 71 -20.412 2.882 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.908 5.245 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -20.419 4.260 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.263 5.394 3.453 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.319 3.560 0.195 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.152 3.686 -1.254 1.00 0.00 C ATOM 1075 C ASN A 72 -17.543 2.362 -1.728 1.00 0.00 C ATOM 1076 O ASN A 72 -16.622 1.867 -1.068 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.198 4.879 -1.487 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.735 5.124 -2.920 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.501 5.063 -3.873 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.471 5.468 -3.105 1.00 0.00 N ATOM 0 H ASN A 72 -17.598 2.986 0.632 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.078 3.869 -1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.692 5.783 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.315 4.733 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.133 5.683 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.834 5.518 -2.310 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.928 1.829 -2.902 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.513 0.492 -3.328 1.00 0.00 C ATOM 1089 C PRO A 73 -16.035 0.426 -3.695 1.00 0.00 C ATOM 1090 O PRO A 73 -15.439 -0.645 -3.629 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.399 0.136 -4.528 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.880 1.493 -5.035 1.00 0.00 C ATOM 1093 CD PRO A 73 -19.023 2.275 -3.746 1.00 0.00 C ATOM 0 HA PRO A 73 -17.634 -0.220 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.840 -0.403 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.233 -0.501 -4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.162 1.953 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.825 1.416 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.966 3.348 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.987 2.082 -3.274 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.423 1.565 -4.028 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.025 1.653 -4.418 1.00 0.00 C ATOM 1103 C GLN A 74 -13.107 0.999 -3.378 1.00 0.00 C ATOM 1104 O GLN A 74 -12.149 0.325 -3.751 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.692 3.134 -4.658 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.471 3.348 -5.561 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.252 4.817 -5.930 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.056 5.685 -5.598 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.194 5.127 -6.658 1.00 0.00 N ATOM 0 H GLN A 74 -15.900 2.466 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.854 1.097 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.556 3.624 -5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.513 3.618 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.582 2.969 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.593 2.764 -6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.531 4.401 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.040 6.093 -6.948 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.415 1.156 -2.087 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.616 0.611 -0.991 1.00 0.00 C ATOM 1120 C LEU A 75 -12.840 -0.896 -0.820 1.00 0.00 C ATOM 1121 O LEU A 75 -11.924 -1.599 -0.400 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.965 1.330 0.322 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.771 2.856 0.296 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.486 3.481 1.489 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.299 3.275 0.320 1.00 0.00 C ATOM 0 H LEU A 75 -14.237 1.672 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.567 0.773 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.004 1.115 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.352 0.914 1.121 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.194 3.211 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.348 4.562 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.550 3.250 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.072 3.078 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.230 4.363 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.828 2.898 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.789 2.863 -0.551 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.047 -1.381 -1.130 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.445 -2.792 -1.031 1.00 0.00 C ATOM 1139 C ASN A 76 -13.935 -3.594 -2.239 1.00 0.00 C ATOM 1140 O ASN A 76 -13.948 -4.821 -2.240 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.986 -2.874 -0.945 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.517 -3.903 0.058 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.788 -4.604 0.750 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.827 -3.957 0.234 1.00 0.00 N ATOM 0 H ASN A 76 -14.801 -0.783 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.002 -3.225 -0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.374 -1.891 -0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.379 -3.113 -1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.221 -4.578 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -18.443 -3.378 -0.337 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.503 -2.894 -3.289 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.675 -3.396 -4.378 1.00 0.00 C ATOM 1153 C GLU A 77 -11.204 -3.417 -3.947 1.00 0.00 C ATOM 1154 O GLU A 77 -10.469 -4.372 -4.222 1.00 0.00 O ATOM 1155 CB GLU A 77 -12.856 -2.463 -5.586 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.848 -2.985 -6.629 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.364 -4.241 -7.357 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -12.158 -4.578 -7.318 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -14.191 -4.897 -8.034 1.00 0.00 O ATOM 0 H GLU A 77 -13.736 -1.908 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.971 -4.412 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.194 -1.489 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.888 -2.311 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.797 -3.202 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.039 -2.201 -7.362 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.742 -2.337 -3.307 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.331 -2.145 -2.994 1.00 0.00 C ATOM 1168 C LEU A 78 -8.818 -3.156 -1.996 1.00 0.00 C ATOM 1169 O LEU A 78 -7.671 -3.578 -2.117 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.061 -0.736 -2.435 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.961 0.345 -3.515 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.110 1.748 -2.914 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -7.634 0.267 -4.261 1.00 0.00 C ATOM 0 H LEU A 78 -11.341 -1.573 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.803 -2.278 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.858 -0.471 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.133 -0.753 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.777 0.163 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.034 2.493 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.081 1.834 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.320 1.916 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.597 1.048 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.813 0.405 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.542 -0.708 -4.739 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.638 -3.545 -1.026 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.257 -4.576 -0.074 1.00 0.00 C ATOM 1187 C ASP A 79 -8.992 -5.906 -0.768 1.00 0.00 C ATOM 1188 O ASP A 79 -8.061 -6.609 -0.380 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.301 -4.689 1.039 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.260 -5.856 0.823 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -12.146 -5.749 -0.044 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.138 -6.860 1.553 1.00 0.00 O ATOM 0 H ASP A 79 -10.571 -3.160 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.316 -4.286 0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.795 -4.811 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.870 -3.761 1.095 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.732 -6.229 -1.830 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.508 -7.479 -2.524 1.00 0.00 C ATOM 1199 C ASN A 80 -8.248 -7.349 -3.361 1.00 0.00 C ATOM 1200 O ASN A 80 -7.354 -8.188 -3.273 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.714 -7.843 -3.391 1.00 0.00 C ATOM 1202 CG ASN A 80 -10.319 -8.962 -4.336 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.015 -10.064 -3.901 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -10.280 -8.706 -5.629 1.00 0.00 N ATOM 0 H ASN A 80 -10.476 -5.648 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.379 -8.284 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.549 -8.156 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.049 -6.973 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.993 -9.433 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.537 -7.781 -5.974 1.00 0.00 H new ATOM 1211 N THR A 81 -8.175 -6.252 -4.117 1.00 0.00 N ATOM 1212 CA THR A 81 -7.046 -5.884 -4.947 1.00 0.00 C ATOM 1213 C THR A 81 -5.751 -6.046 -4.139 1.00 0.00 C ATOM 1214 O THR A 81 -4.893 -6.842 -4.509 1.00 0.00 O ATOM 1215 CB THR A 81 -7.278 -4.451 -5.456 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.538 -4.329 -6.099 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.225 -3.968 -6.447 1.00 0.00 C ATOM 0 H THR A 81 -8.936 -5.574 -4.164 1.00 0.00 H new ATOM 0 HA THR A 81 -6.948 -6.532 -5.818 1.00 0.00 H new ATOM 0 HB THR A 81 -7.225 -3.836 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.231 -4.153 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.459 -2.950 -6.759 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.244 -3.986 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.219 -4.622 -7.319 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.608 -5.333 -3.019 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.350 -5.324 -2.294 1.00 0.00 C ATOM 1227 C ILE A 82 -4.062 -6.674 -1.633 1.00 0.00 C ATOM 1228 O ILE A 82 -2.890 -7.057 -1.537 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.316 -4.149 -1.297 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.856 -3.779 -0.984 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.104 -4.401 0.001 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.235 -2.923 -2.095 1.00 0.00 C ATOM 0 H ILE A 82 -6.344 -4.762 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.541 -5.169 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.821 -3.315 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.813 -3.236 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.270 -4.689 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.029 -3.527 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.151 -4.586 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.690 -5.269 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.204 -2.683 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.254 -3.476 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.805 -2.001 -2.206 1.00 0.00 H new ATOM 1244 N SER A 83 -5.090 -7.386 -1.155 1.00 0.00 N ATOM 1245 CA SER A 83 -4.890 -8.678 -0.524 1.00 0.00 C ATOM 1246 C SER A 83 -4.214 -9.620 -1.515 1.00 0.00 C ATOM 1247 O SER A 83 -3.238 -10.287 -1.167 1.00 0.00 O ATOM 1248 CB SER A 83 -6.229 -9.285 -0.078 1.00 0.00 C ATOM 1249 OG SER A 83 -6.493 -9.012 1.284 1.00 0.00 O ATOM 0 H SER A 83 -6.063 -7.083 -1.197 1.00 0.00 H new ATOM 0 HA SER A 83 -4.262 -8.542 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.034 -8.884 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.212 -10.363 -0.238 1.00 0.00 H new ATOM 0 HG SER A 83 -7.207 -8.344 1.351 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.730 -9.661 -2.741 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.237 -10.504 -3.809 1.00 0.00 C ATOM 1257 C GLU A 84 -2.835 -10.058 -4.249 1.00 0.00 C ATOM 1258 O GLU A 84 -1.955 -10.912 -4.349 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.309 -10.517 -4.909 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.020 -11.507 -6.045 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.314 -11.965 -6.730 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.920 -11.195 -7.511 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -6.744 -13.114 -6.486 1.00 0.00 O ATOM 0 H GLU A 84 -5.527 -9.088 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.087 -11.536 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.272 -10.763 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.399 -9.515 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.364 -11.040 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.490 -12.373 -5.649 1.00 0.00 H new ATOM 1270 N MET A 85 -2.569 -8.749 -4.391 1.00 0.00 N ATOM 1271 CA MET A 85 -1.297 -8.247 -4.909 1.00 0.00 C ATOM 1272 C MET A 85 -0.148 -8.714 -4.021 1.00 0.00 C ATOM 1273 O MET A 85 0.863 -9.239 -4.482 1.00 0.00 O ATOM 1274 CB MET A 85 -1.327 -6.710 -4.986 1.00 0.00 C ATOM 1275 CG MET A 85 -2.204 -6.236 -6.144 1.00 0.00 C ATOM 1276 SD MET A 85 -2.447 -4.444 -6.284 1.00 0.00 S ATOM 1277 CE MET A 85 -1.149 -4.112 -7.495 1.00 0.00 C ATOM 0 H MET A 85 -3.233 -8.014 -4.148 1.00 0.00 H new ATOM 0 HA MET A 85 -1.143 -8.642 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.705 -6.303 -4.048 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.314 -6.329 -5.113 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.766 -6.596 -7.075 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.182 -6.708 -6.048 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.294 -3.119 -7.921 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.176 -4.158 -7.007 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.192 -4.858 -8.289 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.318 -8.544 -2.713 1.00 0.00 N ATOM 1288 CA LEU A 86 0.719 -8.852 -1.738 1.00 0.00 C ATOM 1289 C LEU A 86 0.848 -10.349 -1.492 1.00 0.00 C ATOM 1290 O LEU A 86 1.893 -10.783 -1.004 1.00 0.00 O ATOM 1291 CB LEU A 86 0.379 -8.138 -0.431 1.00 0.00 C ATOM 1292 CG LEU A 86 0.716 -6.639 -0.392 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.989 -6.396 0.425 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.875 -5.901 -1.718 1.00 0.00 C ATOM 0 H LEU A 86 -1.180 -8.188 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 86 1.677 -8.509 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.687 -8.259 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.909 -8.634 0.383 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.183 -6.221 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.212 -5.329 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.840 -6.752 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.821 -6.934 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.111 -4.854 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.682 -6.355 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.054 -5.965 -2.284 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.178 -11.141 -1.811 1.00 0.00 N ATOM 1307 CA LYS A 87 -0.061 -12.583 -1.708 1.00 0.00 C ATOM 1308 C LYS A 87 0.848 -13.090 -2.826 1.00 0.00 C ATOM 1309 O LYS A 87 1.607 -14.030 -2.615 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.449 -13.243 -1.785 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.677 -14.277 -0.676 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.719 -13.670 0.734 1.00 0.00 C ATOM 1313 CE LYS A 87 -2.198 -14.730 1.725 1.00 0.00 C ATOM 1314 NZ LYS A 87 -1.461 -14.708 2.995 1.00 0.00 N ATOM 0 H LYS A 87 -1.085 -10.807 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 87 0.377 -12.846 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.217 -12.472 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.563 -13.726 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.615 -14.799 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.883 -15.023 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.730 -13.311 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.388 -12.810 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.259 -14.579 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.097 -15.716 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.534 -15.638 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.461 -14.490 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.866 -13.981 3.619 1.00 0.00 H new ATOM 1328 N GLU A 88 0.753 -12.486 -4.014 1.00 0.00 N ATOM 1329 CA GLU A 88 1.449 -12.958 -5.202 1.00 0.00 C ATOM 1330 C GLU A 88 2.843 -12.354 -5.353 1.00 0.00 C ATOM 1331 O GLU A 88 3.698 -13.022 -5.939 1.00 0.00 O ATOM 1332 CB GLU A 88 0.613 -12.658 -6.451 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.681 -13.479 -6.438 1.00 0.00 C ATOM 1334 CD GLU A 88 -1.463 -13.416 -7.749 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -1.223 -12.524 -8.601 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -2.320 -14.311 -7.928 1.00 0.00 O ATOM 0 H GLU A 88 0.187 -11.652 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 88 1.579 -14.034 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.376 -11.595 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.189 -12.890 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.438 -14.519 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.318 -13.124 -5.628 1.00 0.00 H new ATOM 1343 N GLY A 89 3.073 -11.139 -4.845 1.00 0.00 N ATOM 1344 CA GLY A 89 4.324 -10.400 -4.971 1.00 0.00 C ATOM 1345 C GLY A 89 4.105 -9.180 -5.845 1.00 0.00 C ATOM 1346 O GLY A 89 4.101 -9.285 -7.073 1.00 0.00 O ATOM 0 H GLY A 89 2.365 -10.629 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.680 -10.096 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.094 -11.038 -5.405 1.00 0.00 H new ATOM 1350 N ALA A 90 3.885 -8.030 -5.205 1.00 0.00 N ATOM 1351 CA ALA A 90 3.778 -6.774 -5.920 1.00 0.00 C ATOM 1352 C ALA A 90 5.183 -6.306 -6.261 1.00 0.00 C ATOM 1353 O ALA A 90 6.026 -6.226 -5.370 1.00 0.00 O ATOM 1354 CB ALA A 90 3.050 -5.731 -5.068 1.00 0.00 C ATOM 0 H ALA A 90 3.779 -7.951 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 90 3.199 -6.910 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.979 -4.795 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.048 -6.089 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.604 -5.565 -4.144 1.00 0.00 H new ATOM 1360 N GLN A 91 5.424 -5.975 -7.523 1.00 0.00 N ATOM 1361 CA GLN A 91 6.626 -5.299 -7.975 1.00 0.00 C ATOM 1362 C GLN A 91 6.659 -3.934 -7.302 1.00 0.00 C ATOM 1363 O GLN A 91 5.623 -3.279 -7.152 1.00 0.00 O ATOM 1364 CB GLN A 91 6.605 -5.184 -9.510 1.00 0.00 C ATOM 1365 CG GLN A 91 7.088 -6.461 -10.218 1.00 0.00 C ATOM 1366 CD GLN A 91 6.586 -7.743 -9.559 1.00 0.00 C ATOM 1367 OE1 GLN A 91 7.291 -8.328 -8.738 1.00 0.00 O ATOM 1368 NE2 GLN A 91 5.366 -8.170 -9.847 1.00 0.00 N ATOM 0 H GLN A 91 4.769 -6.176 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 91 7.526 -5.854 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.591 -4.956 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.234 -4.347 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.756 -6.440 -11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.178 -6.470 -10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.799 -7.669 -10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.994 -8.999 -9.385 1.00 0.00 H new ATOM 1377 N VAL A 92 7.854 -3.524 -6.896 1.00 0.00 N ATOM 1378 CA VAL A 92 8.114 -2.347 -6.101 1.00 0.00 C ATOM 1379 C VAL A 92 9.153 -1.506 -6.826 1.00 0.00 C ATOM 1380 O VAL A 92 10.291 -1.929 -7.018 1.00 0.00 O ATOM 1381 CB VAL A 92 8.422 -2.756 -4.642 1.00 0.00 C ATOM 1382 CG1 VAL A 92 9.077 -1.638 -3.814 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.103 -3.087 -3.936 1.00 0.00 C ATOM 0 H VAL A 92 8.706 -4.034 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 92 7.246 -1.696 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 92 9.111 -3.599 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.264 -1.997 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.021 -1.348 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.411 -0.776 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.305 -3.377 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.455 -2.210 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.609 -3.909 -4.454 1.00 0.00 H new ATOM 1393 N ASP A 93 8.717 -0.319 -7.253 1.00 0.00 N ATOM 1394 CA ASP A 93 9.486 0.674 -7.984 1.00 0.00 C ATOM 1395 C ASP A 93 9.138 2.041 -7.372 1.00 0.00 C ATOM 1396 O ASP A 93 8.391 2.847 -7.932 1.00 0.00 O ATOM 1397 CB ASP A 93 9.176 0.574 -9.494 1.00 0.00 C ATOM 1398 CG ASP A 93 9.999 -0.493 -10.226 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.225 -0.603 -9.977 1.00 0.00 O ATOM 1400 OD2 ASP A 93 9.472 -1.181 -11.133 1.00 0.00 O ATOM 0 H ASP A 93 7.759 -0.013 -7.084 1.00 0.00 H new ATOM 0 HA ASP A 93 10.561 0.516 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.116 0.354 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.360 1.543 -9.958 1.00 0.00 H new ATOM 1405 N LEU A 94 9.628 2.303 -6.153 1.00 0.00 N ATOM 1406 CA LEU A 94 9.587 3.643 -5.564 1.00 0.00 C ATOM 1407 C LEU A 94 10.661 4.463 -6.267 1.00 0.00 C ATOM 1408 O LEU A 94 11.857 4.229 -6.086 1.00 0.00 O ATOM 1409 CB LEU A 94 9.736 3.591 -4.033 1.00 0.00 C ATOM 1410 CG LEU A 94 9.722 4.900 -3.210 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.124 5.410 -2.878 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.833 6.016 -3.745 1.00 0.00 C ATOM 0 H LEU A 94 10.059 1.598 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 94 8.620 4.122 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.934 2.959 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.675 3.082 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 94 9.243 4.594 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.049 6.331 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.656 4.658 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.668 5.605 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.903 6.883 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.160 6.293 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.800 5.672 -3.783 1.00 0.00 H new ATOM 1424 N THR A 95 10.204 5.381 -7.110 1.00 0.00 N ATOM 1425 CA THR A 95 11.023 6.393 -7.774 1.00 0.00 C ATOM 1426 C THR A 95 11.450 7.435 -6.724 1.00 0.00 C ATOM 1427 O THR A 95 11.317 7.191 -5.527 1.00 0.00 O ATOM 1428 CB THR A 95 10.252 6.955 -8.991 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.123 7.530 -9.940 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.209 8.024 -8.662 1.00 0.00 C ATOM 0 H THR A 95 9.217 5.445 -7.360 1.00 0.00 H new ATOM 0 HA THR A 95 11.945 5.983 -8.186 1.00 0.00 H new ATOM 0 HB THR A 95 9.739 6.076 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.602 7.873 -10.696 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.724 8.354 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.462 7.608 -7.986 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.697 8.874 -8.184 1.00 0.00 H new ATOM 1438 N ALA A 96 11.934 8.608 -7.143 1.00 0.00 N ATOM 1439 CA ALA A 96 12.415 9.650 -6.239 1.00 0.00 C ATOM 1440 C ALA A 96 11.474 9.878 -5.038 1.00 0.00 C ATOM 1441 O ALA A 96 11.946 9.886 -3.901 1.00 0.00 O ATOM 1442 CB ALA A 96 12.650 10.942 -7.032 1.00 0.00 C ATOM 0 H ALA A 96 12.002 8.861 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 96 13.360 9.317 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.009 11.721 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.393 10.762 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.715 11.262 -7.492 1.00 0.00 H new ATOM 1448 N ASN A 97 10.161 10.039 -5.277 1.00 0.00 N ATOM 1449 CA ASN A 97 9.144 10.376 -4.276 1.00 0.00 C ATOM 1450 C ASN A 97 7.717 9.969 -4.696 1.00 0.00 C ATOM 1451 O ASN A 97 6.739 10.591 -4.263 1.00 0.00 O ATOM 1452 CB ASN A 97 9.218 11.876 -3.929 1.00 0.00 C ATOM 1453 CG ASN A 97 9.169 12.837 -5.117 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.949 12.475 -6.273 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.468 14.096 -4.849 1.00 0.00 N ATOM 0 H ASN A 97 9.767 9.933 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 97 9.368 9.790 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.393 12.115 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.141 12.057 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.519 14.780 -5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.648 14.384 -3.887 1.00 0.00 H new ATOM 1462 N GLN A 98 7.570 8.923 -5.519 1.00 0.00 N ATOM 1463 CA GLN A 98 6.285 8.334 -5.906 1.00 0.00 C ATOM 1464 C GLN A 98 6.435 6.814 -5.874 1.00 0.00 C ATOM 1465 O GLN A 98 7.300 6.245 -6.544 1.00 0.00 O ATOM 1466 CB GLN A 98 5.863 8.807 -7.304 1.00 0.00 C ATOM 1467 CG GLN A 98 4.494 8.280 -7.764 1.00 0.00 C ATOM 1468 CD GLN A 98 4.366 8.393 -9.281 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.850 9.376 -9.811 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.872 7.424 -10.030 1.00 0.00 N ATOM 0 H GLN A 98 8.367 8.450 -5.946 1.00 0.00 H new ATOM 0 HA GLN A 98 5.507 8.650 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.842 9.897 -7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.620 8.495 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.375 7.240 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.698 8.847 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.300 6.609 -9.590 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.834 7.493 -11.047 1.00 0.00 H new ATOM 1479 N LEU A 99 5.606 6.156 -5.073 1.00 0.00 N ATOM 1480 CA LEU A 99 5.501 4.709 -5.030 1.00 0.00 C ATOM 1481 C LEU A 99 4.863 4.300 -6.352 1.00 0.00 C ATOM 1482 O LEU A 99 3.787 4.806 -6.676 1.00 0.00 O ATOM 1483 CB LEU A 99 4.634 4.298 -3.819 1.00 0.00 C ATOM 1484 CG LEU A 99 4.853 2.894 -3.220 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.327 2.502 -3.093 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.250 2.793 -1.813 1.00 0.00 C ATOM 0 H LEU A 99 4.976 6.626 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 99 6.466 4.217 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.797 5.029 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.588 4.376 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 99 4.362 2.219 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.402 1.503 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.792 2.510 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.838 3.214 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.419 1.792 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.723 3.527 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.179 2.988 -1.862 1.00 0.00 H new ATOM 1498 N THR A 100 5.514 3.431 -7.122 1.00 0.00 N ATOM 1499 CA THR A 100 4.928 2.854 -8.319 1.00 0.00 C ATOM 1500 C THR A 100 4.950 1.346 -8.103 1.00 0.00 C ATOM 1501 O THR A 100 6.023 0.770 -7.915 1.00 0.00 O ATOM 1502 CB THR A 100 5.692 3.310 -9.572 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.032 4.690 -9.496 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.821 3.061 -10.798 1.00 0.00 C ATOM 0 H THR A 100 6.463 3.110 -6.929 1.00 0.00 H new ATOM 0 HA THR A 100 3.903 3.185 -8.488 1.00 0.00 H new ATOM 0 HB THR A 100 6.619 2.741 -9.644 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.518 4.952 -10.305 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.353 3.381 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.593 1.998 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.893 3.626 -10.706 1.00 0.00 H new ATOM 1512 N LEU A 101 3.771 0.728 -7.989 1.00 0.00 N ATOM 1513 CA LEU A 101 3.636 -0.700 -7.725 1.00 0.00 C ATOM 1514 C LEU A 101 2.851 -1.301 -8.877 1.00 0.00 C ATOM 1515 O LEU A 101 1.992 -0.620 -9.444 1.00 0.00 O ATOM 1516 CB LEU A 101 2.888 -0.980 -6.403 1.00 0.00 C ATOM 1517 CG LEU A 101 3.552 -0.673 -5.035 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.570 -1.912 -4.141 1.00 0.00 C ATOM 1519 CD2 LEU A 101 4.976 -0.135 -5.113 1.00 0.00 C ATOM 0 H LEU A 101 2.878 1.213 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 101 4.629 -1.139 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.954 -0.420 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.625 -2.038 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 101 2.928 0.117 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.041 -1.667 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.548 -2.248 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.134 -2.706 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.351 0.048 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.614 -0.865 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.982 0.797 -5.678 1.00 0.00 H new ATOM 1531 N ALA A 102 3.101 -2.572 -9.177 1.00 0.00 N ATOM 1532 CA ALA A 102 2.349 -3.368 -10.144 1.00 0.00 C ATOM 1533 C ALA A 102 2.278 -4.809 -9.639 1.00 0.00 C ATOM 1534 O ALA A 102 3.058 -5.213 -8.776 1.00 0.00 O ATOM 1535 CB ALA A 102 3.031 -3.305 -11.516 1.00 0.00 C ATOM 0 H ALA A 102 3.859 -3.095 -8.739 1.00 0.00 H new ATOM 0 HA ALA A 102 1.339 -2.973 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.465 -3.901 -12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.070 -2.270 -11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.044 -3.699 -11.437 1.00 0.00 H new ATOM 1541 N THR A 103 1.351 -5.613 -10.142 1.00 0.00 N ATOM 1542 CA THR A 103 1.233 -7.042 -9.956 1.00 0.00 C ATOM 1543 C THR A 103 0.440 -7.547 -11.175 1.00 0.00 C ATOM 1544 O THR A 103 0.212 -6.774 -12.112 1.00 0.00 O ATOM 1545 CB THR A 103 0.504 -7.301 -8.624 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.897 -6.418 -7.595 1.00 0.00 O ATOM 1547 CG2 THR A 103 0.795 -8.705 -8.150 1.00 0.00 C ATOM 0 H THR A 103 0.607 -5.248 -10.736 1.00 0.00 H new ATOM 0 HA THR A 103 2.190 -7.561 -9.897 1.00 0.00 H new ATOM 0 HB THR A 103 -0.557 -7.148 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.982 -6.913 -6.754 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.278 -8.885 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.449 -9.420 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.868 -8.824 -8.004 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.046 -8.792 -11.194 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.105 -9.142 -12.132 1.00 0.00 C ATOM 1557 C ALA A 104 -2.332 -8.240 -11.937 1.00 0.00 C ATOM 1558 O ALA A 104 -2.841 -7.704 -12.922 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.462 -10.622 -12.039 1.00 0.00 C ATOM 0 H ALA A 104 0.268 -9.550 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.733 -8.969 -13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.255 -10.850 -12.751 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.583 -11.224 -12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.804 -10.851 -11.030 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.776 -8.032 -10.690 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.033 -7.366 -10.340 1.00 0.00 C ATOM 1567 C LYS A 105 -4.223 -6.032 -11.058 1.00 0.00 C ATOM 1568 O LYS A 105 -5.197 -5.856 -11.787 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.132 -7.188 -8.803 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.336 -7.876 -8.158 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.701 -7.402 -8.686 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.727 -8.483 -8.359 1.00 0.00 C ATOM 1573 NZ LYS A 105 -9.031 -8.294 -9.022 1.00 0.00 N ATOM 0 H LYS A 105 -2.250 -8.334 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.843 -8.011 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.221 -7.575 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.174 -6.123 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.252 -8.951 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.300 -7.710 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.982 -6.456 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.656 -7.230 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.322 -9.453 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.880 -8.509 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.673 -9.066 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.441 -7.384 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.900 -8.298 -10.054 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.358 -5.066 -10.761 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.398 -3.693 -11.257 1.00 0.00 C ATOM 1589 C GLN A 106 -2.054 -3.022 -10.938 1.00 0.00 C ATOM 1590 O GLN A 106 -1.106 -3.686 -10.508 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.643 -2.941 -10.741 1.00 0.00 C ATOM 1592 CG GLN A 106 -4.639 -2.701 -9.244 1.00 0.00 C ATOM 1593 CD GLN A 106 -5.788 -1.784 -8.807 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -5.602 -0.840 -8.048 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.019 -2.045 -9.220 1.00 0.00 N ATOM 0 H GLN A 106 -2.569 -5.228 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.516 -3.673 -12.340 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.714 -1.981 -11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.534 -3.510 -11.006 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.719 -3.655 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.688 -2.256 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.190 -2.827 -9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.796 -1.464 -8.906 1.00 0.00 H new ATOM 1604 N THR A 107 -1.982 -1.701 -11.085 1.00 0.00 N ATOM 1605 CA THR A 107 -0.884 -0.868 -10.614 1.00 0.00 C ATOM 1606 C THR A 107 -1.481 0.208 -9.699 1.00 0.00 C ATOM 1607 O THR A 107 -2.646 0.581 -9.868 1.00 0.00 O ATOM 1608 CB THR A 107 -0.061 -0.336 -11.813 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.745 0.764 -11.456 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.915 0.092 -13.009 1.00 0.00 C ATOM 0 H THR A 107 -2.713 -1.165 -11.552 1.00 0.00 H new ATOM 0 HA THR A 107 -0.160 -1.428 -10.021 1.00 0.00 H new ATOM 0 HB THR A 107 0.554 -1.187 -12.105 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.313 0.520 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.267 0.453 -13.808 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.493 -0.760 -13.367 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.594 0.889 -12.705 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.705 0.645 -8.703 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.044 1.684 -7.732 1.00 0.00 C ATOM 1620 C LEU A 108 -0.031 2.809 -7.839 1.00 0.00 C ATOM 1621 O LEU A 108 1.135 2.568 -8.182 1.00 0.00 O ATOM 1622 CB LEU A 108 -0.971 1.143 -6.288 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.307 0.592 -5.792 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -2.796 -0.580 -6.642 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.255 0.191 -4.318 1.00 0.00 C ATOM 0 H LEU A 108 0.227 0.261 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.056 2.026 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.218 0.357 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.643 1.941 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.024 1.407 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.749 -0.939 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.926 -0.252 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.063 -1.386 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.227 -0.195 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.498 -0.580 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.003 1.062 -3.713 1.00 0.00 H new ATOM 1637 N THR A 109 -0.439 3.997 -7.394 1.00 0.00 N ATOM 1638 CA THR A 109 0.433 5.164 -7.347 1.00 0.00 C ATOM 1639 C THR A 109 0.222 5.890 -6.011 1.00 0.00 C ATOM 1640 O THR A 109 -0.699 6.707 -5.880 1.00 0.00 O ATOM 1641 CB THR A 109 0.204 6.056 -8.586 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.044 5.299 -9.774 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.392 6.987 -8.808 1.00 0.00 C ATOM 0 H THR A 109 -1.385 4.175 -7.056 1.00 0.00 H new ATOM 0 HA THR A 109 1.481 4.868 -7.389 1.00 0.00 H new ATOM 0 HB THR A 109 -0.708 6.618 -8.383 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.100 5.905 -10.531 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.210 7.607 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.522 7.625 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.294 6.395 -8.963 1.00 0.00 H new ATOM 1651 N TYR A 110 1.041 5.570 -5.001 1.00 0.00 N ATOM 1652 CA TYR A 110 1.042 6.306 -3.737 1.00 0.00 C ATOM 1653 C TYR A 110 2.045 7.464 -3.811 1.00 0.00 C ATOM 1654 O TYR A 110 3.055 7.390 -4.516 1.00 0.00 O ATOM 1655 CB TYR A 110 1.423 5.432 -2.529 1.00 0.00 C ATOM 1656 CG TYR A 110 0.629 4.169 -2.222 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.820 3.013 -2.997 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.160 4.085 -1.060 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.258 1.783 -2.616 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.777 2.876 -0.693 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.550 1.711 -1.460 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.081 0.520 -1.069 1.00 0.00 O ATOM 0 H TYR A 110 1.712 4.803 -5.038 1.00 0.00 H new ATOM 0 HA TYR A 110 0.023 6.664 -3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.464 5.137 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.379 6.066 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.409 3.071 -3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.293 4.961 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.443 0.897 -3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.422 2.838 0.172 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.609 0.649 -0.254 1.00 0.00 H new ATOM 1672 N LYS A 111 1.827 8.491 -2.990 1.00 0.00 N ATOM 1673 CA LYS A 111 2.682 9.672 -2.884 1.00 0.00 C ATOM 1674 C LYS A 111 3.411 9.610 -1.554 1.00 0.00 C ATOM 1675 O LYS A 111 2.802 9.238 -0.549 1.00 0.00 O ATOM 1676 CB LYS A 111 1.775 10.905 -2.911 1.00 0.00 C ATOM 1677 CG LYS A 111 2.410 12.248 -3.336 1.00 0.00 C ATOM 1678 CD LYS A 111 3.319 12.861 -2.262 1.00 0.00 C ATOM 1679 CE LYS A 111 3.286 14.391 -2.195 1.00 0.00 C ATOM 1680 NZ LYS A 111 4.330 15.029 -3.015 1.00 0.00 N ATOM 0 H LYS A 111 1.025 8.525 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 111 3.405 9.717 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.945 10.697 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.352 11.033 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.989 12.095 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.617 12.956 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.031 12.462 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.344 12.541 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.308 14.742 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.404 14.706 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.256 16.063 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.267 14.720 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.205 14.755 -4.011 1.00 0.00 H new ATOM 1694 N LEU A 112 4.665 10.056 -1.526 1.00 0.00 N ATOM 1695 CA LEU A 112 5.443 10.308 -0.312 1.00 0.00 C ATOM 1696 C LEU A 112 4.880 11.547 0.415 1.00 0.00 C ATOM 1697 O LEU A 112 5.485 12.618 0.398 1.00 0.00 O ATOM 1698 CB LEU A 112 6.925 10.476 -0.723 1.00 0.00 C ATOM 1699 CG LEU A 112 7.917 10.640 0.449 1.00 0.00 C ATOM 1700 CD1 LEU A 112 7.928 9.452 1.416 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.324 10.808 -0.132 1.00 0.00 C ATOM 0 H LEU A 112 5.187 10.260 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 112 5.374 9.477 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.223 9.608 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.009 11.347 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 112 7.597 11.511 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.648 9.638 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.935 9.324 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.209 8.547 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.041 10.926 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.582 9.927 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.351 11.691 -0.771 1.00 0.00 H new ATOM 1713 N ALA A 113 3.668 11.465 0.971 1.00 0.00 N ATOM 1714 CA ALA A 113 3.007 12.556 1.690 1.00 0.00 C ATOM 1715 C ALA A 113 3.199 12.277 3.174 1.00 0.00 C ATOM 1716 O ALA A 113 2.301 11.777 3.847 1.00 0.00 O ATOM 1717 CB ALA A 113 1.524 12.663 1.308 1.00 0.00 C ATOM 0 H ALA A 113 3.105 10.615 0.932 1.00 0.00 H new ATOM 0 HA ALA A 113 3.443 13.520 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.064 13.483 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.437 12.852 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.017 11.730 1.554 1.00 0.00 H new ATOM 1723 N ASP A 114 4.405 12.518 3.671 1.00 0.00 N ATOM 1724 CA ASP A 114 4.884 11.935 4.922 1.00 0.00 C ATOM 1725 C ASP A 114 4.932 12.988 6.028 1.00 0.00 C ATOM 1726 O ASP A 114 5.812 12.979 6.887 1.00 0.00 O ATOM 1727 CB ASP A 114 6.220 11.237 4.664 1.00 0.00 C ATOM 1728 CG ASP A 114 6.706 10.404 5.851 1.00 0.00 C ATOM 1729 OD1 ASP A 114 5.914 9.954 6.706 1.00 0.00 O ATOM 1730 OD2 ASP A 114 7.934 10.205 5.955 1.00 0.00 O ATOM 0 H ASP A 114 5.085 13.127 3.216 1.00 0.00 H new ATOM 0 HA ASP A 114 4.191 11.176 5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.122 10.591 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.973 11.987 4.423 1.00 0.00 H new