USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 31 GLN : amide:sc= -3.56 K(o=-3.9,f=-6.4!) USER MOD Set 1.2: A 78 THR OG1 : rot -77:sc= -0.313 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.148 (180deg=-0.976) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0448 (180deg=-0.3) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.15) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -22:sc= 0.0398 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -1.3 F(o=-2.1!,f=-1.3) USER MOD Single : A 36 HIS : no HE2:sc= 0.129 K(o=0.13,f=-4.9!) USER MOD Single : A 37 GLN : amide:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -1.36! (180deg=-1.41!) USER MOD Single : A 43 GLN : amide:sc= -7.02! C(o=-7!,f=-9.2!) USER MOD Single : A 47 SER OG : rot -76:sc= 0.756 USER MOD Single : A 51 ASN : amide:sc= -3.41! C(o=-3.4!,f=-6.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -135:sc= -2.15 (180deg=-5.12!) USER MOD Single : A 55 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.051) USER MOD Single : A 57 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.47) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00931 USER MOD Single : A 67 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.1!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 THR OG1 : rot 73:sc= -0.0682 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= -0.491 (180deg=-1.62!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 79 SER OG : rot -170:sc= -2.43 USER MOD Single : A 85 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.75) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.022) USER MOD Single : A 88 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-1) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= -0.0942 K(o=-0.094,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.242 3.981 12.890 1.00 0.00 N ATOM 2 CA MET A 1 -6.860 4.129 12.355 1.00 0.00 C ATOM 3 C MET A 1 -6.049 5.014 13.295 1.00 0.00 C ATOM 4 O MET A 1 -4.837 4.843 13.432 1.00 0.00 O ATOM 5 CB MET A 1 -6.919 4.762 10.962 1.00 0.00 C ATOM 6 CG MET A 1 -5.510 4.820 10.366 1.00 0.00 C ATOM 7 SD MET A 1 -5.594 5.457 8.673 1.00 0.00 S ATOM 8 CE MET A 1 -6.114 7.144 9.076 1.00 0.00 C ATOM 0 H1 MET A 1 -8.707 3.171 12.432 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.202 3.822 13.917 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.784 4.847 12.695 1.00 0.00 H new ATOM 0 HA MET A 1 -6.385 3.151 12.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.575 4.181 10.314 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.340 5.765 11.025 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.872 5.460 10.975 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.061 3.827 10.370 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.795 7.822 8.285 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.200 7.178 9.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.661 7.449 10.019 1.00 0.00 H new ATOM 20 N GLY A 2 -6.725 5.956 13.943 1.00 0.00 N ATOM 21 CA GLY A 2 -6.056 6.861 14.870 1.00 0.00 C ATOM 22 C GLY A 2 -5.465 6.093 16.048 1.00 0.00 C ATOM 23 O GLY A 2 -4.364 6.396 16.508 1.00 0.00 O ATOM 0 H GLY A 2 -7.728 6.112 13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.266 7.402 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.765 7.605 15.234 1.00 0.00 H new ATOM 27 N GLN A 3 -6.202 5.096 16.533 1.00 0.00 N ATOM 28 CA GLN A 3 -5.736 4.292 17.659 1.00 0.00 C ATOM 29 C GLN A 3 -6.438 2.936 17.681 1.00 0.00 C ATOM 30 O GLN A 3 -5.799 1.894 17.538 1.00 0.00 O ATOM 31 CB GLN A 3 -6.007 5.027 18.972 1.00 0.00 C ATOM 32 CG GLN A 3 -5.397 4.239 20.133 1.00 0.00 C ATOM 33 CD GLN A 3 -5.557 5.019 21.434 1.00 0.00 C ATOM 34 OE1 GLN A 3 -5.844 6.215 21.409 1.00 0.00 O ATOM 35 NE2 GLN A 3 -5.385 4.409 22.573 1.00 0.00 N ATOM 0 H GLN A 3 -7.116 4.828 16.168 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.664 4.131 17.545 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.580 6.029 18.935 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.080 5.143 19.121 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.884 3.268 20.220 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.341 4.050 19.940 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.147 3.417 22.590 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.488 4.923 23.448 1.00 0.00 H new ATOM 44 N ILE A 4 -7.758 2.958 17.858 1.00 0.00 N ATOM 45 CA ILE A 4 -8.544 1.726 17.896 1.00 0.00 C ATOM 46 C ILE A 4 -9.084 1.385 16.512 1.00 0.00 C ATOM 47 O ILE A 4 -9.575 2.256 15.796 1.00 0.00 O ATOM 48 CB ILE A 4 -9.713 1.873 18.855 1.00 0.00 C ATOM 49 CG1 ILE A 4 -9.211 2.212 20.279 1.00 0.00 C ATOM 50 CG2 ILE A 4 -10.529 0.572 18.862 1.00 0.00 C ATOM 51 CD1 ILE A 4 -8.786 0.945 21.042 1.00 0.00 C ATOM 0 H ILE A 4 -8.304 3.811 17.977 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.888 0.924 18.235 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.350 2.693 18.523 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.368 2.900 20.215 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.999 2.724 20.832 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.369 0.673 19.549 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.903 0.372 17.858 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.894 -0.254 19.184 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.439 1.219 22.038 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.637 0.269 21.128 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.981 0.448 20.501 1.00 0.00 H new ATOM 63 N PHE A 5 -8.982 0.115 16.137 1.00 0.00 N ATOM 64 CA PHE A 5 -9.457 -0.319 14.827 1.00 0.00 C ATOM 65 C PHE A 5 -10.959 -0.077 14.690 1.00 0.00 C ATOM 66 O PHE A 5 -11.747 -0.469 15.549 1.00 0.00 O ATOM 67 CB PHE A 5 -9.128 -1.826 14.621 1.00 0.00 C ATOM 68 CG PHE A 5 -8.362 -2.027 13.313 1.00 0.00 C ATOM 69 CD1 PHE A 5 -7.196 -1.286 13.044 1.00 0.00 C ATOM 70 CD2 PHE A 5 -8.824 -2.951 12.369 1.00 0.00 C ATOM 71 CE1 PHE A 5 -6.507 -1.472 11.841 1.00 0.00 C ATOM 72 CE2 PHE A 5 -8.131 -3.135 11.165 1.00 0.00 C ATOM 73 CZ PHE A 5 -6.974 -2.396 10.902 1.00 0.00 C ATOM 0 H PHE A 5 -8.580 -0.625 16.713 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.949 0.264 14.059 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.535 -2.194 15.458 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -10.050 -2.408 14.604 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.832 -0.572 13.768 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.717 -3.524 12.569 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.613 -0.901 11.637 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.491 -3.849 10.439 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.441 -2.539 9.974 1.00 0.00 H new ATOM 83 N THR A 6 -11.339 0.560 13.586 1.00 0.00 N ATOM 84 CA THR A 6 -12.740 0.845 13.320 1.00 0.00 C ATOM 85 C THR A 6 -13.425 -0.392 12.758 1.00 0.00 C ATOM 86 O THR A 6 -12.819 -1.168 12.020 1.00 0.00 O ATOM 87 CB THR A 6 -12.862 1.989 12.313 1.00 0.00 C ATOM 88 OG1 THR A 6 -11.983 3.040 12.686 1.00 0.00 O ATOM 89 CG2 THR A 6 -14.300 2.509 12.297 1.00 0.00 C ATOM 0 H THR A 6 -10.696 0.887 12.865 1.00 0.00 H new ATOM 0 HA THR A 6 -13.220 1.134 14.255 1.00 0.00 H new ATOM 0 HB THR A 6 -12.598 1.627 11.319 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.058 3.774 12.041 1.00 0.00 H new ATOM 0 HG21 THR A 6 -14.384 3.324 11.578 1.00 0.00 H new ATOM 0 HG22 THR A 6 -14.975 1.703 12.011 1.00 0.00 H new ATOM 0 HG23 THR A 6 -14.567 2.871 13.290 1.00 0.00 H new ATOM 97 N VAL A 7 -14.688 -0.569 13.107 1.00 0.00 N ATOM 98 CA VAL A 7 -15.437 -1.718 12.628 1.00 0.00 C ATOM 99 C VAL A 7 -15.553 -1.691 11.104 1.00 0.00 C ATOM 100 O VAL A 7 -15.327 -2.702 10.439 1.00 0.00 O ATOM 101 CB VAL A 7 -16.834 -1.716 13.258 1.00 0.00 C ATOM 102 CG1 VAL A 7 -17.714 -2.776 12.585 1.00 0.00 C ATOM 103 CG2 VAL A 7 -16.715 -2.022 14.756 1.00 0.00 C ATOM 0 H VAL A 7 -15.212 0.061 13.714 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.908 -2.626 12.915 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.290 -0.736 13.119 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -18.705 -2.768 13.039 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -17.800 -2.555 11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.263 -3.760 12.716 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.707 -2.021 15.207 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.255 -3.001 14.892 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.098 -1.262 15.235 1.00 0.00 H new ATOM 113 N GLN A 8 -15.910 -0.535 10.561 1.00 0.00 N ATOM 114 CA GLN A 8 -16.062 -0.396 9.117 1.00 0.00 C ATOM 115 C GLN A 8 -14.741 -0.670 8.401 1.00 0.00 C ATOM 116 O GLN A 8 -14.715 -1.309 7.350 1.00 0.00 O ATOM 117 CB GLN A 8 -16.545 1.016 8.776 1.00 0.00 C ATOM 118 CG GLN A 8 -16.957 1.076 7.303 1.00 0.00 C ATOM 119 CD GLN A 8 -18.229 0.262 7.085 1.00 0.00 C ATOM 120 OE1 GLN A 8 -19.255 0.536 7.706 1.00 0.00 O ATOM 121 NE2 GLN A 8 -18.222 -0.726 6.233 1.00 0.00 N ATOM 0 H GLN A 8 -16.099 0.315 11.093 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.798 -1.126 8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.389 1.286 9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.754 1.739 8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.122 2.111 7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.154 0.688 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.370 -0.951 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.069 -1.274 6.080 1.00 0.00 H new ATOM 130 N GLU A 9 -13.647 -0.177 8.973 1.00 0.00 N ATOM 131 CA GLU A 9 -12.332 -0.367 8.372 1.00 0.00 C ATOM 132 C GLU A 9 -11.942 -1.843 8.398 1.00 0.00 C ATOM 133 O GLU A 9 -11.315 -2.345 7.464 1.00 0.00 O ATOM 134 CB GLU A 9 -11.288 0.462 9.130 1.00 0.00 C ATOM 135 CG GLU A 9 -9.945 0.417 8.392 1.00 0.00 C ATOM 136 CD GLU A 9 -10.036 1.202 7.086 1.00 0.00 C ATOM 137 OE1 GLU A 9 -11.044 1.858 6.880 1.00 0.00 O ATOM 138 OE2 GLU A 9 -9.094 1.139 6.314 1.00 0.00 O ATOM 0 H GLU A 9 -13.644 0.353 9.845 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.371 -0.035 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.628 1.494 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.169 0.075 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.161 0.836 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.670 -0.617 8.185 1.00 0.00 H new ATOM 145 N LEU A 10 -12.312 -2.532 9.471 1.00 0.00 N ATOM 146 CA LEU A 10 -11.990 -3.948 9.605 1.00 0.00 C ATOM 147 C LEU A 10 -12.700 -4.761 8.526 1.00 0.00 C ATOM 148 O LEU A 10 -12.135 -5.707 7.976 1.00 0.00 O ATOM 149 CB LEU A 10 -12.398 -4.453 10.996 1.00 0.00 C ATOM 150 CG LEU A 10 -12.087 -5.956 11.141 1.00 0.00 C ATOM 151 CD1 LEU A 10 -10.600 -6.226 10.855 1.00 0.00 C ATOM 152 CD2 LEU A 10 -12.423 -6.406 12.573 1.00 0.00 C ATOM 0 H LEU A 10 -12.831 -2.137 10.255 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.914 -4.072 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.866 -3.891 11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.462 -4.280 11.154 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.689 -6.514 10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.397 -7.292 10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.362 -5.911 9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.986 -5.667 11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.205 -7.468 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.822 -5.838 13.283 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.480 -6.231 12.771 1.00 0.00 H new ATOM 164 N LYS A 11 -13.941 -4.389 8.230 1.00 0.00 N ATOM 165 CA LYS A 11 -14.717 -5.095 7.217 1.00 0.00 C ATOM 166 C LYS A 11 -14.003 -5.064 5.872 1.00 0.00 C ATOM 167 O LYS A 11 -14.044 -6.036 5.121 1.00 0.00 O ATOM 168 CB LYS A 11 -16.105 -4.463 7.069 1.00 0.00 C ATOM 169 CG LYS A 11 -16.941 -4.761 8.313 1.00 0.00 C ATOM 170 CD LYS A 11 -18.331 -4.143 8.158 1.00 0.00 C ATOM 171 CE LYS A 11 -19.195 -4.521 9.363 1.00 0.00 C ATOM 172 NZ LYS A 11 -20.545 -3.907 9.218 1.00 0.00 N ATOM 0 H LYS A 11 -14.428 -3.610 8.673 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.824 -6.131 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.012 -3.386 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.602 -4.856 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.025 -5.838 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.450 -4.358 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.252 -3.059 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.797 -4.496 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.283 -5.605 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.724 -4.177 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.133 -4.164 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.452 -2.872 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.993 -4.256 8.347 1.00 0.00 H new ATOM 186 N GLU A 12 -13.357 -3.944 5.568 1.00 0.00 N ATOM 187 CA GLU A 12 -12.650 -3.809 4.300 1.00 0.00 C ATOM 188 C GLU A 12 -11.559 -4.872 4.174 1.00 0.00 C ATOM 189 O GLU A 12 -11.540 -5.639 3.210 1.00 0.00 O ATOM 190 CB GLU A 12 -12.016 -2.417 4.210 1.00 0.00 C ATOM 191 CG GLU A 12 -11.486 -2.178 2.794 1.00 0.00 C ATOM 192 CD GLU A 12 -12.651 -2.001 1.827 1.00 0.00 C ATOM 193 OE1 GLU A 12 -13.777 -1.937 2.293 1.00 0.00 O ATOM 194 OE2 GLU A 12 -12.402 -1.932 0.635 1.00 0.00 O ATOM 0 H GLU A 12 -13.308 -3.125 6.174 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.366 -3.943 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.752 -1.655 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.204 -2.330 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.851 -1.292 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.867 -3.019 2.481 1.00 0.00 H new ATOM 201 N ARG A 13 -10.658 -4.920 5.150 1.00 0.00 N ATOM 202 CA ARG A 13 -9.578 -5.904 5.128 1.00 0.00 C ATOM 203 C ARG A 13 -10.123 -7.305 5.381 1.00 0.00 C ATOM 204 O ARG A 13 -9.659 -8.280 4.789 1.00 0.00 O ATOM 205 CB ARG A 13 -8.525 -5.563 6.184 1.00 0.00 C ATOM 206 CG ARG A 13 -7.774 -4.297 5.764 1.00 0.00 C ATOM 207 CD ARG A 13 -6.746 -3.934 6.836 1.00 0.00 C ATOM 208 NE ARG A 13 -5.715 -4.962 6.911 1.00 0.00 N ATOM 209 CZ ARG A 13 -4.758 -4.911 7.829 1.00 0.00 C ATOM 210 NH1 ARG A 13 -4.729 -3.927 8.686 1.00 0.00 N ATOM 211 NH2 ARG A 13 -3.846 -5.843 7.873 1.00 0.00 N ATOM 0 H ARG A 13 -10.652 -4.297 5.958 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.116 -5.878 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.001 -5.412 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.827 -6.392 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.276 -4.457 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.476 -3.475 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.293 -2.970 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.239 -3.831 7.803 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.729 -5.735 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.442 -3.198 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.994 -3.887 9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.869 -6.611 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.110 -5.804 8.579 1.00 0.00 H new ATOM 225 N ALA A 14 -11.107 -7.397 6.268 1.00 0.00 N ATOM 226 CA ALA A 14 -11.709 -8.682 6.602 1.00 0.00 C ATOM 227 C ALA A 14 -12.581 -9.185 5.458 1.00 0.00 C ATOM 228 O ALA A 14 -13.035 -10.330 5.467 1.00 0.00 O ATOM 229 CB ALA A 14 -12.553 -8.551 7.872 1.00 0.00 C ATOM 0 H ALA A 14 -11.504 -6.601 6.767 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.907 -9.401 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.999 -9.516 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.920 -8.227 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.342 -7.817 7.710 1.00 0.00 H new ATOM 235 N LYS A 15 -12.815 -8.325 4.472 1.00 0.00 N ATOM 236 CA LYS A 15 -13.636 -8.699 3.330 1.00 0.00 C ATOM 237 C LYS A 15 -13.041 -9.908 2.616 1.00 0.00 C ATOM 238 O LYS A 15 -13.755 -10.849 2.276 1.00 0.00 O ATOM 239 CB LYS A 15 -13.731 -7.527 2.350 1.00 0.00 C ATOM 240 CG LYS A 15 -14.689 -7.879 1.217 1.00 0.00 C ATOM 241 CD LYS A 15 -14.823 -6.679 0.281 1.00 0.00 C ATOM 242 CE LYS A 15 -15.792 -7.028 -0.842 1.00 0.00 C ATOM 243 NZ LYS A 15 -15.948 -5.857 -1.750 1.00 0.00 N ATOM 0 H LYS A 15 -12.451 -7.373 4.442 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.632 -8.956 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.079 -6.634 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.745 -7.297 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.319 -8.744 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.664 -8.151 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.184 -5.811 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.850 -6.413 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.422 -7.888 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.759 -7.310 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.610 -6.097 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.320 -5.048 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.024 -5.607 -2.157 1.00 0.00 H new ATOM 257 N VAL A 16 -11.729 -9.875 2.399 1.00 0.00 N ATOM 258 CA VAL A 16 -11.044 -10.974 1.727 1.00 0.00 C ATOM 259 C VAL A 16 -11.817 -11.410 0.485 1.00 0.00 C ATOM 260 O VAL A 16 -11.566 -10.922 -0.616 1.00 0.00 O ATOM 261 CB VAL A 16 -10.892 -12.158 2.682 1.00 0.00 C ATOM 262 CG1 VAL A 16 -10.220 -13.324 1.954 1.00 0.00 C ATOM 263 CG2 VAL A 16 -10.028 -11.740 3.874 1.00 0.00 C ATOM 0 H VAL A 16 -11.122 -9.104 2.677 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.057 -10.628 1.421 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.876 -12.469 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.113 -14.166 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.832 -13.623 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.236 -13.015 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.918 -12.582 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.045 -11.429 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.505 -10.910 4.396 1.00 0.00 H new ATOM 273 N PHE A 17 -12.764 -12.330 0.671 1.00 0.00 N ATOM 274 CA PHE A 17 -13.580 -12.829 -0.439 1.00 0.00 C ATOM 275 C PHE A 17 -15.051 -12.863 -0.037 1.00 0.00 C ATOM 276 O PHE A 17 -15.383 -13.205 1.099 1.00 0.00 O ATOM 277 CB PHE A 17 -13.129 -14.240 -0.823 1.00 0.00 C ATOM 278 CG PHE A 17 -13.897 -14.697 -2.042 1.00 0.00 C ATOM 279 CD1 PHE A 17 -13.556 -14.200 -3.305 1.00 0.00 C ATOM 280 CD2 PHE A 17 -14.949 -15.614 -1.910 1.00 0.00 C ATOM 281 CE1 PHE A 17 -14.266 -14.618 -4.437 1.00 0.00 C ATOM 282 CE2 PHE A 17 -15.658 -16.033 -3.043 1.00 0.00 C ATOM 283 CZ PHE A 17 -15.316 -15.534 -4.306 1.00 0.00 C ATOM 0 H PHE A 17 -12.985 -12.744 1.576 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.455 -12.161 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.059 -14.248 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.299 -14.927 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.745 -13.494 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.213 -15.997 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.003 -14.234 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -16.468 -16.740 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.863 -15.856 -5.180 1.00 0.00 H new ATOM 293 N ALA A 18 -15.933 -12.514 -0.971 1.00 0.00 N ATOM 294 CA ALA A 18 -17.366 -12.521 -0.692 1.00 0.00 C ATOM 295 C ALA A 18 -17.750 -13.803 0.046 1.00 0.00 C ATOM 296 O ALA A 18 -17.675 -14.894 -0.518 1.00 0.00 O ATOM 297 CB ALA A 18 -18.149 -12.436 -2.005 1.00 0.00 C ATOM 0 H ALA A 18 -15.684 -12.226 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.608 -11.661 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -19.218 -12.442 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.887 -11.515 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.900 -13.291 -2.633 1.00 0.00 H new ATOM 303 N LYS A 19 -18.154 -13.670 1.313 1.00 0.00 N ATOM 304 CA LYS A 19 -18.536 -14.836 2.119 1.00 0.00 C ATOM 305 C LYS A 19 -19.848 -14.568 2.877 1.00 0.00 C ATOM 306 O LYS A 19 -20.163 -13.413 3.166 1.00 0.00 O ATOM 307 CB LYS A 19 -17.415 -15.146 3.124 1.00 0.00 C ATOM 308 CG LYS A 19 -16.233 -15.827 2.404 1.00 0.00 C ATOM 309 CD LYS A 19 -16.461 -17.350 2.317 1.00 0.00 C ATOM 310 CE LYS A 19 -15.942 -18.033 3.585 1.00 0.00 C ATOM 311 NZ LYS A 19 -16.536 -19.394 3.690 1.00 0.00 N ATOM 0 H LYS A 19 -18.225 -12.777 1.800 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.688 -15.687 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.079 -14.226 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.793 -15.795 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.121 -15.412 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.306 -15.622 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.523 -17.560 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.950 -17.753 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.854 -18.100 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.202 -17.442 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.185 -19.860 4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.572 -19.318 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.266 -19.956 2.857 1.00 0.00 H new ATOM 325 N PRO A 20 -20.611 -15.592 3.223 1.00 0.00 N ATOM 326 CA PRO A 20 -21.892 -15.405 3.978 1.00 0.00 C ATOM 327 C PRO A 20 -21.699 -14.594 5.261 1.00 0.00 C ATOM 328 O PRO A 20 -20.653 -14.668 5.905 1.00 0.00 O ATOM 329 CB PRO A 20 -22.351 -16.838 4.311 1.00 0.00 C ATOM 330 CG PRO A 20 -21.673 -17.718 3.310 1.00 0.00 C ATOM 331 CD PRO A 20 -20.358 -17.023 2.933 1.00 0.00 C ATOM 0 HA PRO A 20 -22.620 -14.846 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.072 -17.113 5.328 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.435 -16.929 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -21.482 -18.706 3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -22.302 -17.860 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.522 -17.407 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -20.111 -17.180 1.883 1.00 0.00 H new ATOM 339 N ILE A 21 -22.721 -13.824 5.623 1.00 0.00 N ATOM 340 CA ILE A 21 -22.664 -13.005 6.826 1.00 0.00 C ATOM 341 C ILE A 21 -22.930 -13.859 8.062 1.00 0.00 C ATOM 342 O ILE A 21 -23.900 -14.614 8.108 1.00 0.00 O ATOM 343 CB ILE A 21 -23.704 -11.887 6.745 1.00 0.00 C ATOM 344 CG1 ILE A 21 -23.379 -10.973 5.561 1.00 0.00 C ATOM 345 CG2 ILE A 21 -23.680 -11.071 8.038 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.556 -10.030 5.309 1.00 0.00 C ATOM 0 H ILE A 21 -23.595 -13.751 5.102 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.668 -12.569 6.903 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.694 -12.323 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -22.476 -10.398 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -23.180 -11.570 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -24.422 -10.274 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -23.911 -11.720 8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -22.690 -10.636 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -24.326 -9.378 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.448 -10.614 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.734 -9.424 6.198 1.00 0.00 H new ATOM 358 N GLY A 22 -22.060 -13.737 9.058 1.00 0.00 N ATOM 359 CA GLY A 22 -22.210 -14.507 10.286 1.00 0.00 C ATOM 360 C GLY A 22 -23.398 -14.011 11.104 1.00 0.00 C ATOM 361 O GLY A 22 -24.138 -14.805 11.684 1.00 0.00 O ATOM 0 H GLY A 22 -21.250 -13.117 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.346 -15.561 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.299 -14.432 10.880 1.00 0.00 H new ATOM 365 N ALA A 23 -23.574 -12.693 11.145 1.00 0.00 N ATOM 366 CA ALA A 23 -24.676 -12.094 11.893 1.00 0.00 C ATOM 367 C ALA A 23 -24.379 -12.113 13.392 1.00 0.00 C ATOM 368 O ALA A 23 -24.196 -11.064 14.009 1.00 0.00 O ATOM 369 CB ALA A 23 -25.986 -12.845 11.602 1.00 0.00 C ATOM 0 H ALA A 23 -22.970 -12.021 10.671 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.786 -11.057 11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -26.800 -12.389 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -26.208 -12.791 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.880 -13.889 11.898 1.00 0.00 H new ATOM 375 N SER A 24 -24.335 -13.311 13.969 1.00 0.00 N ATOM 376 CA SER A 24 -24.060 -13.456 15.397 1.00 0.00 C ATOM 377 C SER A 24 -22.568 -13.299 15.680 1.00 0.00 C ATOM 378 O SER A 24 -22.165 -13.016 16.809 1.00 0.00 O ATOM 379 CB SER A 24 -24.530 -14.830 15.878 1.00 0.00 C ATOM 380 OG SER A 24 -24.354 -14.922 17.285 1.00 0.00 O ATOM 0 H SER A 24 -24.485 -14.190 13.474 1.00 0.00 H new ATOM 0 HA SER A 24 -24.600 -12.675 15.932 1.00 0.00 H new ATOM 0 HB2 SER A 24 -25.579 -14.979 15.621 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.965 -15.616 15.377 1.00 0.00 H new ATOM 0 HG SER A 24 -23.673 -14.278 17.572 1.00 0.00 H new ATOM 386 N TYR A 25 -21.756 -13.483 14.646 1.00 0.00 N ATOM 387 CA TYR A 25 -20.308 -13.362 14.778 1.00 0.00 C ATOM 388 C TYR A 25 -19.897 -11.896 14.879 1.00 0.00 C ATOM 389 O TYR A 25 -18.784 -11.581 15.296 1.00 0.00 O ATOM 390 CB TYR A 25 -19.615 -14.013 13.581 1.00 0.00 C ATOM 391 CG TYR A 25 -19.818 -15.511 13.636 1.00 0.00 C ATOM 392 CD1 TYR A 25 -21.043 -16.068 13.244 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.785 -16.343 14.084 1.00 0.00 C ATOM 394 CE1 TYR A 25 -21.231 -17.454 13.301 1.00 0.00 C ATOM 395 CE2 TYR A 25 -18.973 -17.728 14.139 1.00 0.00 C ATOM 396 CZ TYR A 25 -20.197 -18.284 13.747 1.00 0.00 C ATOM 397 OH TYR A 25 -20.383 -19.651 13.801 1.00 0.00 O ATOM 0 H TYR A 25 -22.075 -13.717 13.706 1.00 0.00 H new ATOM 0 HA TYR A 25 -20.003 -13.873 15.691 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.020 -13.614 12.651 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.551 -13.779 13.591 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -21.841 -15.428 12.898 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -17.841 -15.915 14.388 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -22.175 -17.883 13.000 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.174 -18.368 14.484 1.00 0.00 H new ATOM 0 HH TYR A 25 -19.566 -20.079 14.132 1.00 0.00 H new ATOM 407 N GLN A 26 -20.802 -11.007 14.485 1.00 0.00 N ATOM 408 CA GLN A 26 -20.526 -9.575 14.521 1.00 0.00 C ATOM 409 C GLN A 26 -20.107 -9.143 15.926 1.00 0.00 C ATOM 410 O GLN A 26 -19.546 -8.063 16.112 1.00 0.00 O ATOM 411 CB GLN A 26 -21.777 -8.799 14.089 1.00 0.00 C ATOM 412 CG GLN A 26 -22.836 -8.860 15.197 1.00 0.00 C ATOM 413 CD GLN A 26 -24.189 -8.408 14.658 1.00 0.00 C ATOM 414 OE1 GLN A 26 -24.250 -7.782 13.516 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -25.218 -8.634 15.295 1.00 0.00 N flip ATOM 0 H GLN A 26 -21.730 -11.251 14.138 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.708 -9.359 13.834 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.518 -7.762 13.878 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.177 -9.221 13.167 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.911 -9.877 15.583 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.538 -8.224 16.031 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.168 -9.124 16.188 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.121 -8.331 14.930 1.00 0.00 H new ATOM 424 N GLY A 27 -20.380 -9.995 16.908 1.00 0.00 N ATOM 425 CA GLY A 27 -20.025 -9.689 18.288 1.00 0.00 C ATOM 426 C GLY A 27 -18.541 -9.351 18.403 1.00 0.00 C ATOM 427 O GLY A 27 -18.126 -8.650 19.325 1.00 0.00 O ATOM 0 H GLY A 27 -20.842 -10.895 16.776 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.622 -8.850 18.645 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.259 -10.541 18.926 1.00 0.00 H new ATOM 431 N ILE A 28 -17.749 -9.848 17.458 1.00 0.00 N ATOM 432 CA ILE A 28 -16.310 -9.591 17.455 1.00 0.00 C ATOM 433 C ILE A 28 -16.029 -8.126 17.128 1.00 0.00 C ATOM 434 O ILE A 28 -14.972 -7.595 17.468 1.00 0.00 O ATOM 435 CB ILE A 28 -15.611 -10.499 16.437 1.00 0.00 C ATOM 436 CG1 ILE A 28 -14.092 -10.353 16.580 1.00 0.00 C ATOM 437 CG2 ILE A 28 -16.030 -10.105 15.021 1.00 0.00 C ATOM 438 CD1 ILE A 28 -13.393 -11.446 15.768 1.00 0.00 C ATOM 0 H ILE A 28 -18.076 -10.429 16.686 1.00 0.00 H new ATOM 0 HA ILE A 28 -15.919 -9.808 18.449 1.00 0.00 H new ATOM 0 HB ILE A 28 -15.897 -11.534 16.622 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.777 -9.369 16.232 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.807 -10.427 17.629 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -15.531 -10.753 14.300 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -17.110 -10.212 14.918 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.748 -9.069 14.833 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.313 -11.341 15.871 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.699 -12.425 16.137 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.669 -11.351 14.718 1.00 0.00 H new ATOM 450 N LEU A 29 -16.982 -7.483 16.458 1.00 0.00 N ATOM 451 CA LEU A 29 -16.832 -6.078 16.075 1.00 0.00 C ATOM 452 C LEU A 29 -17.361 -5.168 17.178 1.00 0.00 C ATOM 453 O LEU A 29 -16.865 -4.057 17.367 1.00 0.00 O ATOM 454 CB LEU A 29 -17.631 -5.813 14.796 1.00 0.00 C ATOM 455 CG LEU A 29 -17.255 -6.834 13.714 1.00 0.00 C ATOM 456 CD1 LEU A 29 -18.192 -6.681 12.510 1.00 0.00 C ATOM 457 CD2 LEU A 29 -15.807 -6.607 13.263 1.00 0.00 C ATOM 0 H LEU A 29 -17.863 -7.908 16.169 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.774 -5.871 15.912 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.699 -5.873 15.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.433 -4.803 14.438 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.352 -7.839 14.126 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -17.922 -7.408 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.221 -6.852 12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.100 -5.674 12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.547 -7.335 12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.706 -5.600 12.858 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.138 -6.724 14.115 1.00 0.00 H new ATOM 469 N ASP A 30 -18.366 -5.644 17.905 1.00 0.00 N ATOM 470 CA ASP A 30 -18.945 -4.860 18.988 1.00 0.00 C ATOM 471 C ASP A 30 -17.902 -4.608 20.073 1.00 0.00 C ATOM 472 O ASP A 30 -17.988 -3.630 20.807 1.00 0.00 O ATOM 473 CB ASP A 30 -20.146 -5.595 19.585 1.00 0.00 C ATOM 474 CG ASP A 30 -21.300 -5.599 18.587 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.248 -4.823 17.647 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.218 -6.380 18.776 1.00 0.00 O ATOM 0 H ASP A 30 -18.793 -6.560 17.766 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.277 -3.903 18.586 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.868 -6.618 19.838 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.456 -5.111 20.511 1.00 0.00 H new ATOM 481 N GLN A 31 -16.920 -5.501 20.165 1.00 0.00 N ATOM 482 CA GLN A 31 -15.860 -5.376 21.166 1.00 0.00 C ATOM 483 C GLN A 31 -15.041 -4.128 20.924 1.00 0.00 C ATOM 484 O GLN A 31 -14.627 -3.452 21.865 1.00 0.00 O ATOM 485 CB GLN A 31 -14.955 -6.603 21.109 1.00 0.00 C ATOM 486 CG GLN A 31 -15.785 -7.814 21.500 1.00 0.00 C ATOM 487 CD GLN A 31 -15.045 -9.093 21.127 1.00 0.00 C ATOM 488 OE1 GLN A 31 -13.900 -9.037 20.695 1.00 0.00 O ATOM 489 NE2 GLN A 31 -15.641 -10.247 21.246 1.00 0.00 N ATOM 0 H GLN A 31 -16.835 -6.318 19.561 1.00 0.00 H new ATOM 0 HA GLN A 31 -16.319 -5.304 22.152 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.545 -6.729 20.107 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.109 -6.485 21.787 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.984 -7.798 22.571 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.751 -7.782 20.996 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.594 -10.294 21.606 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.154 -11.103 20.979 1.00 0.00 H new ATOM 498 N LEU A 32 -14.807 -3.822 19.660 1.00 0.00 N ATOM 499 CA LEU A 32 -14.033 -2.648 19.328 1.00 0.00 C ATOM 500 C LEU A 32 -14.747 -1.402 19.855 1.00 0.00 C ATOM 501 O LEU A 32 -14.146 -0.579 20.540 1.00 0.00 O ATOM 502 CB LEU A 32 -13.861 -2.579 17.801 1.00 0.00 C ATOM 503 CG LEU A 32 -12.726 -3.519 17.361 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.950 -4.926 17.930 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.674 -3.598 15.832 1.00 0.00 C ATOM 0 H LEU A 32 -15.137 -4.363 18.861 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.048 -2.700 19.791 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.791 -2.862 17.308 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.637 -1.556 17.497 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.784 -3.123 17.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.139 -5.581 17.611 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.971 -4.879 19.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.899 -5.319 17.565 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.867 -4.266 15.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.622 -3.981 15.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.495 -2.604 15.422 1.00 0.00 H new ATOM 517 N ASP A 33 -16.039 -1.288 19.556 1.00 0.00 N ATOM 518 CA ASP A 33 -16.835 -0.157 20.033 1.00 0.00 C ATOM 519 C ASP A 33 -17.148 -0.268 21.533 1.00 0.00 C ATOM 520 O ASP A 33 -17.168 0.736 22.245 1.00 0.00 O ATOM 521 CB ASP A 33 -18.139 -0.054 19.238 1.00 0.00 C ATOM 522 CG ASP A 33 -17.839 0.382 17.808 1.00 0.00 C ATOM 523 OD1 ASP A 33 -16.730 0.830 17.565 1.00 0.00 O ATOM 524 OD2 ASP A 33 -18.723 0.264 16.975 1.00 0.00 O ATOM 0 H ASP A 33 -16.556 -1.960 18.989 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.242 0.745 19.881 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.651 -1.016 19.235 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.810 0.662 19.713 1.00 0.00 H new ATOM 529 N LEU A 34 -17.428 -1.490 21.995 1.00 0.00 N ATOM 530 CA LEU A 34 -17.780 -1.715 23.401 1.00 0.00 C ATOM 531 C LEU A 34 -16.624 -1.327 24.320 1.00 0.00 C ATOM 532 O LEU A 34 -16.848 -0.742 25.373 1.00 0.00 O ATOM 533 CB LEU A 34 -18.173 -3.180 23.629 1.00 0.00 C ATOM 534 CG LEU A 34 -18.710 -3.385 25.058 1.00 0.00 C ATOM 535 CD1 LEU A 34 -19.997 -2.561 25.268 1.00 0.00 C ATOM 536 CD2 LEU A 34 -19.015 -4.879 25.271 1.00 0.00 C ATOM 0 H LEU A 34 -17.418 -2.333 21.421 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.635 -1.083 23.641 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.932 -3.475 22.904 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -17.308 -3.823 23.465 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.959 -3.052 25.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.366 -2.715 26.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.781 -1.503 25.117 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.755 -2.882 24.553 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.396 -5.032 26.281 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.763 -5.204 24.548 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.103 -5.460 25.135 1.00 0.00 H new ATOM 548 N VAL A 35 -15.394 -1.656 23.929 1.00 0.00 N ATOM 549 CA VAL A 35 -14.228 -1.319 24.747 1.00 0.00 C ATOM 550 C VAL A 35 -14.336 0.100 25.303 1.00 0.00 C ATOM 551 O VAL A 35 -13.656 0.450 26.267 1.00 0.00 O ATOM 552 CB VAL A 35 -12.936 -1.461 23.928 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.702 -0.206 23.070 1.00 0.00 C ATOM 554 CG2 VAL A 35 -11.762 -1.651 24.900 1.00 0.00 C ATOM 0 H VAL A 35 -15.179 -2.149 23.062 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.198 -2.016 25.584 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.019 -2.320 23.262 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.783 -0.324 22.496 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.541 -0.070 22.387 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.617 0.667 23.717 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.835 -1.754 24.336 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.692 -0.786 25.559 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.925 -2.549 25.496 1.00 0.00 H new ATOM 564 N HIS A 36 -15.182 0.913 24.687 1.00 0.00 N ATOM 565 CA HIS A 36 -15.351 2.291 25.128 1.00 0.00 C ATOM 566 C HIS A 36 -16.177 2.349 26.414 1.00 0.00 C ATOM 567 O HIS A 36 -16.251 3.392 27.066 1.00 0.00 O ATOM 568 CB HIS A 36 -16.054 3.094 24.031 1.00 0.00 C ATOM 569 CG HIS A 36 -15.137 3.232 22.847 1.00 0.00 C ATOM 570 ND1 HIS A 36 -15.039 2.252 21.871 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.268 4.226 22.468 1.00 0.00 C ATOM 572 CE1 HIS A 36 -14.141 2.671 20.963 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.640 3.868 21.277 1.00 0.00 N ATOM 0 H HIS A 36 -15.757 0.647 23.888 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.368 2.718 25.327 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -16.976 2.595 23.734 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.331 4.079 24.407 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -15.555 1.372 21.847 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.098 5.144 23.010 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.859 2.108 20.086 1.00 0.00 H new ATOM 581 N GLN A 37 -16.792 1.223 26.777 1.00 0.00 N ATOM 582 CA GLN A 37 -17.603 1.156 27.990 1.00 0.00 C ATOM 583 C GLN A 37 -16.733 0.863 29.211 1.00 0.00 C ATOM 584 O GLN A 37 -16.978 1.401 30.290 1.00 0.00 O ATOM 585 CB GLN A 37 -18.665 0.061 27.845 1.00 0.00 C ATOM 586 CG GLN A 37 -19.517 -0.015 29.117 1.00 0.00 C ATOM 587 CD GLN A 37 -20.654 -1.013 28.924 1.00 0.00 C ATOM 588 OE1 GLN A 37 -20.434 -2.116 28.422 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.864 -0.692 29.294 1.00 0.00 N ATOM 0 H GLN A 37 -16.744 0.350 26.251 1.00 0.00 H new ATOM 0 HA GLN A 37 -18.088 2.122 28.131 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.300 0.271 26.984 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -18.185 -0.900 27.661 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -18.898 -0.316 29.962 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.922 0.969 29.353 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -22.045 0.222 29.710 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -22.629 -1.355 29.168 1.00 0.00 H new ATOM 598 N ALA A 38 -15.704 0.026 29.045 1.00 0.00 N ATOM 599 CA ALA A 38 -14.822 -0.280 30.158 1.00 0.00 C ATOM 600 C ALA A 38 -13.874 0.891 30.388 1.00 0.00 C ATOM 601 O ALA A 38 -13.574 1.636 29.458 1.00 0.00 O ATOM 602 CB ALA A 38 -14.031 -1.556 29.867 1.00 0.00 C ATOM 0 H ALA A 38 -15.470 -0.439 28.168 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.416 -0.441 31.057 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.373 -1.776 30.708 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.721 -2.386 29.720 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.434 -1.416 28.966 1.00 0.00 H new ATOM 608 N LYS A 39 -13.413 1.056 31.625 1.00 0.00 N ATOM 609 CA LYS A 39 -12.502 2.155 31.963 1.00 0.00 C ATOM 610 C LYS A 39 -11.549 1.726 33.066 1.00 0.00 C ATOM 611 O LYS A 39 -11.828 0.792 33.819 1.00 0.00 O ATOM 612 CB LYS A 39 -13.278 3.393 32.442 1.00 0.00 C ATOM 613 CG LYS A 39 -14.108 4.017 31.305 1.00 0.00 C ATOM 614 CD LYS A 39 -13.183 4.606 30.225 1.00 0.00 C ATOM 615 CE LYS A 39 -13.959 5.622 29.379 1.00 0.00 C ATOM 616 NZ LYS A 39 -15.053 4.928 28.641 1.00 0.00 N ATOM 0 H LYS A 39 -13.651 0.448 32.409 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.945 2.408 31.061 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.937 3.114 33.264 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.579 4.133 32.831 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.758 3.261 30.863 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.754 4.798 31.705 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.324 5.088 30.692 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.796 3.809 29.590 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.375 6.400 30.019 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.287 6.113 28.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.546 5.609 28.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.650 4.167 28.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.728 4.523 29.321 1.00 0.00 H new ATOM 630 N GLY A 40 -10.411 2.407 33.141 1.00 0.00 N ATOM 631 CA GLY A 40 -9.399 2.088 34.139 1.00 0.00 C ATOM 632 C GLY A 40 -8.464 1.008 33.606 1.00 0.00 C ATOM 633 O GLY A 40 -8.481 0.695 32.416 1.00 0.00 O ATOM 0 H GLY A 40 -10.167 3.182 32.524 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.829 2.983 34.390 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.877 1.746 35.057 1.00 0.00 H new ATOM 637 N ARG A 41 -7.652 0.443 34.487 1.00 0.00 N ATOM 638 CA ARG A 41 -6.716 -0.600 34.082 1.00 0.00 C ATOM 639 C ARG A 41 -7.464 -1.853 33.638 1.00 0.00 C ATOM 640 O ARG A 41 -6.932 -2.674 32.895 1.00 0.00 O ATOM 641 CB ARG A 41 -5.790 -0.941 35.249 1.00 0.00 C ATOM 642 CG ARG A 41 -6.622 -1.477 36.416 1.00 0.00 C ATOM 643 CD ARG A 41 -5.720 -1.684 37.631 1.00 0.00 C ATOM 644 NE ARG A 41 -4.752 -2.744 37.368 1.00 0.00 N ATOM 645 CZ ARG A 41 -5.069 -4.024 37.538 1.00 0.00 C ATOM 646 NH1 ARG A 41 -6.266 -4.353 37.939 1.00 0.00 N ATOM 647 NH2 ARG A 41 -4.182 -4.952 37.302 1.00 0.00 N ATOM 0 H ARG A 41 -7.620 0.684 35.477 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.127 -0.231 33.242 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.055 -1.684 34.940 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.236 -0.055 35.559 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.422 -0.777 36.658 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.096 -2.418 36.137 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.199 -0.757 37.868 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.324 -1.941 38.501 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.815 -2.498 37.048 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.960 -3.628 38.122 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.508 -5.335 38.069 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.246 -4.695 36.987 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.424 -5.934 37.432 1.00 0.00 H new ATOM 661 N ASP A 42 -8.699 -1.992 34.106 1.00 0.00 N ATOM 662 CA ASP A 42 -9.515 -3.151 33.761 1.00 0.00 C ATOM 663 C ASP A 42 -9.810 -3.183 32.265 1.00 0.00 C ATOM 664 O ASP A 42 -9.880 -4.253 31.660 1.00 0.00 O ATOM 665 CB ASP A 42 -10.830 -3.104 34.532 1.00 0.00 C ATOM 666 CG ASP A 42 -11.578 -4.422 34.365 1.00 0.00 C ATOM 667 OD1 ASP A 42 -11.132 -5.238 33.574 1.00 0.00 O ATOM 668 OD2 ASP A 42 -12.585 -4.600 35.032 1.00 0.00 O ATOM 0 H ASP A 42 -9.156 -1.320 34.723 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.960 -4.050 34.028 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.636 -2.918 35.588 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.444 -2.279 34.171 1.00 0.00 H new ATOM 673 N GLN A 43 -9.987 -2.007 31.675 1.00 0.00 N ATOM 674 CA GLN A 43 -10.280 -1.914 30.247 1.00 0.00 C ATOM 675 C GLN A 43 -9.108 -2.403 29.433 1.00 0.00 C ATOM 676 O GLN A 43 -9.248 -3.272 28.583 1.00 0.00 O ATOM 677 CB GLN A 43 -10.567 -0.455 29.875 1.00 0.00 C ATOM 678 CG GLN A 43 -10.765 -0.322 28.358 1.00 0.00 C ATOM 679 CD GLN A 43 -11.179 1.104 28.017 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.266 1.952 28.902 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.435 1.421 26.779 1.00 0.00 N ATOM 0 H GLN A 43 -9.934 -1.110 32.157 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.150 -2.535 30.032 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.459 -0.108 30.397 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.741 0.179 30.198 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.842 -0.577 27.837 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.527 -1.023 28.018 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.362 0.715 26.046 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.708 2.375 26.543 1.00 0.00 H new ATOM 690 N ILE A 44 -7.960 -1.822 29.671 1.00 0.00 N ATOM 691 CA ILE A 44 -6.784 -2.208 28.932 1.00 0.00 C ATOM 692 C ILE A 44 -6.299 -3.591 29.364 1.00 0.00 C ATOM 693 O ILE A 44 -5.899 -4.402 28.535 1.00 0.00 O ATOM 694 CB ILE A 44 -5.675 -1.201 29.155 1.00 0.00 C ATOM 695 CG1 ILE A 44 -6.162 0.210 28.803 1.00 0.00 C ATOM 696 CG2 ILE A 44 -4.487 -1.566 28.264 1.00 0.00 C ATOM 697 CD1 ILE A 44 -5.199 1.235 29.399 1.00 0.00 C ATOM 0 H ILE A 44 -7.814 -1.087 30.363 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.046 -2.239 27.875 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.377 -1.219 30.203 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.216 0.330 27.721 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.168 0.369 29.192 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.683 -0.846 28.417 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.134 -2.565 28.520 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.797 -1.547 27.219 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.540 2.241 29.152 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.168 1.118 30.482 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.201 1.079 28.988 1.00 0.00 H new ATOM 709 N ALA A 45 -6.311 -3.842 30.676 1.00 0.00 N ATOM 710 CA ALA A 45 -5.846 -5.125 31.193 1.00 0.00 C ATOM 711 C ALA A 45 -6.533 -6.249 30.436 1.00 0.00 C ATOM 712 O ALA A 45 -5.945 -7.303 30.193 1.00 0.00 O ATOM 713 CB ALA A 45 -6.150 -5.236 32.690 1.00 0.00 C ATOM 0 H ALA A 45 -6.632 -3.184 31.386 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.767 -5.199 31.054 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.798 -6.198 33.062 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.644 -4.432 33.225 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.225 -5.157 32.850 1.00 0.00 H new ATOM 719 N ALA A 46 -7.770 -5.994 30.029 1.00 0.00 N ATOM 720 CA ALA A 46 -8.521 -6.963 29.257 1.00 0.00 C ATOM 721 C ALA A 46 -7.768 -7.246 27.963 1.00 0.00 C ATOM 722 O ALA A 46 -7.827 -8.353 27.428 1.00 0.00 O ATOM 723 CB ALA A 46 -9.942 -6.436 28.993 1.00 0.00 C ATOM 0 H ALA A 46 -8.269 -5.126 30.222 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.622 -7.897 29.809 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.500 -7.170 28.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.448 -6.264 29.943 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.886 -5.500 28.437 1.00 0.00 H new ATOM 729 N SER A 47 -7.055 -6.238 27.472 1.00 0.00 N ATOM 730 CA SER A 47 -6.304 -6.381 26.222 1.00 0.00 C ATOM 731 C SER A 47 -5.337 -7.575 26.273 1.00 0.00 C ATOM 732 O SER A 47 -5.117 -8.248 25.267 1.00 0.00 O ATOM 733 CB SER A 47 -5.563 -5.091 25.886 1.00 0.00 C ATOM 734 OG SER A 47 -4.468 -4.916 26.772 1.00 0.00 O ATOM 0 H SER A 47 -6.979 -5.321 27.912 1.00 0.00 H new ATOM 0 HA SER A 47 -7.023 -6.580 25.427 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.207 -5.124 24.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.242 -4.242 25.961 1.00 0.00 H new ATOM 0 HG SER A 47 -4.798 -4.612 27.643 1.00 0.00 H new ATOM 740 N PHE A 48 -4.774 -7.845 27.445 1.00 0.00 N ATOM 741 CA PHE A 48 -3.850 -8.975 27.613 1.00 0.00 C ATOM 742 C PHE A 48 -4.582 -10.319 27.762 1.00 0.00 C ATOM 743 O PHE A 48 -3.967 -11.377 27.624 1.00 0.00 O ATOM 744 CB PHE A 48 -2.963 -8.744 28.838 1.00 0.00 C ATOM 745 CG PHE A 48 -2.001 -7.622 28.537 1.00 0.00 C ATOM 746 CD1 PHE A 48 -0.803 -7.890 27.863 1.00 0.00 C ATOM 747 CD2 PHE A 48 -2.316 -6.314 28.915 1.00 0.00 C ATOM 748 CE1 PHE A 48 0.079 -6.844 27.566 1.00 0.00 C ATOM 749 CE2 PHE A 48 -1.432 -5.269 28.622 1.00 0.00 C ATOM 750 CZ PHE A 48 -0.235 -5.534 27.947 1.00 0.00 C ATOM 0 H PHE A 48 -4.936 -7.303 28.294 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.244 -9.028 26.709 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.575 -8.494 29.705 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.416 -9.654 29.085 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.560 -8.902 27.573 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.241 -6.109 29.433 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.002 -7.048 27.043 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.674 -4.258 28.917 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.447 -4.728 27.720 1.00 0.00 H new ATOM 760 N GLU A 49 -5.872 -10.282 28.093 1.00 0.00 N ATOM 761 CA GLU A 49 -6.635 -11.517 28.315 1.00 0.00 C ATOM 762 C GLU A 49 -6.819 -12.341 27.037 1.00 0.00 C ATOM 763 O GLU A 49 -6.304 -13.455 26.930 1.00 0.00 O ATOM 764 CB GLU A 49 -8.012 -11.143 28.874 1.00 0.00 C ATOM 765 CG GLU A 49 -8.768 -12.401 29.313 1.00 0.00 C ATOM 766 CD GLU A 49 -8.103 -13.001 30.545 1.00 0.00 C ATOM 767 OE1 GLU A 49 -7.387 -12.279 31.218 1.00 0.00 O ATOM 768 OE2 GLU A 49 -8.325 -14.174 30.801 1.00 0.00 O ATOM 0 H GLU A 49 -6.409 -9.423 28.213 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.072 -12.134 29.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.897 -10.466 29.720 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.587 -10.611 28.116 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.806 -12.154 29.533 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.779 -13.131 28.503 1.00 0.00 H new ATOM 775 N LEU A 50 -7.570 -11.806 26.083 1.00 0.00 N ATOM 776 CA LEU A 50 -7.828 -12.521 24.837 1.00 0.00 C ATOM 777 C LEU A 50 -6.555 -12.631 23.995 1.00 0.00 C ATOM 778 O LEU A 50 -6.454 -13.479 23.112 1.00 0.00 O ATOM 779 CB LEU A 50 -8.941 -11.820 24.047 1.00 0.00 C ATOM 780 CG LEU A 50 -9.739 -12.817 23.183 1.00 0.00 C ATOM 781 CD1 LEU A 50 -10.816 -13.511 24.040 1.00 0.00 C ATOM 782 CD2 LEU A 50 -10.419 -12.062 22.018 1.00 0.00 C ATOM 0 H LEU A 50 -8.009 -10.887 26.145 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.155 -13.532 25.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.616 -11.315 24.738 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.506 -11.051 23.408 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.057 -13.569 22.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.375 -14.214 23.422 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.338 -14.048 24.859 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.497 -12.762 24.445 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.983 -12.767 21.407 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.095 -11.307 22.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.659 -11.578 21.405 1.00 0.00 H new ATOM 794 N ASN A 51 -5.601 -11.746 24.265 1.00 0.00 N ATOM 795 CA ASN A 51 -4.349 -11.715 23.507 1.00 0.00 C ATOM 796 C ASN A 51 -3.844 -13.125 23.218 1.00 0.00 C ATOM 797 O ASN A 51 -3.667 -13.506 22.060 1.00 0.00 O ATOM 798 CB ASN A 51 -3.289 -10.967 24.324 1.00 0.00 C ATOM 799 CG ASN A 51 -1.935 -11.008 23.613 1.00 0.00 C ATOM 800 OD1 ASN A 51 -1.792 -11.657 22.578 1.00 0.00 O ATOM 801 ND2 ASN A 51 -0.922 -10.355 24.119 1.00 0.00 N ATOM 0 H ASN A 51 -5.667 -11.042 25.000 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.533 -11.211 22.558 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.598 -9.932 24.470 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.200 -11.416 25.313 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.014 -10.384 23.656 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.040 -9.817 24.977 1.00 0.00 H new ATOM 808 N LYS A 52 -3.615 -13.890 24.267 1.00 0.00 N ATOM 809 CA LYS A 52 -3.129 -15.255 24.111 1.00 0.00 C ATOM 810 C LYS A 52 -4.168 -16.135 23.420 1.00 0.00 C ATOM 811 O LYS A 52 -3.837 -16.947 22.557 1.00 0.00 O ATOM 812 CB LYS A 52 -2.783 -15.833 25.480 1.00 0.00 C ATOM 813 CG LYS A 52 -1.553 -15.099 26.030 1.00 0.00 C ATOM 814 CD LYS A 52 -1.188 -15.636 27.420 1.00 0.00 C ATOM 815 CE LYS A 52 -2.164 -15.096 28.472 1.00 0.00 C ATOM 816 NZ LYS A 52 -1.628 -15.389 29.829 1.00 0.00 N ATOM 0 H LYS A 52 -3.755 -13.596 25.233 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.237 -15.234 23.485 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.626 -15.720 26.162 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.580 -16.901 25.399 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.711 -15.228 25.350 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.755 -14.029 26.088 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.214 -16.726 27.415 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.169 -15.343 27.675 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.298 -14.022 28.344 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.144 -15.556 28.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.286 -15.025 30.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.522 -16.417 29.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.702 -14.930 29.943 1.00 0.00 H new ATOM 830 N LYS A 53 -5.424 -15.973 23.819 1.00 0.00 N ATOM 831 CA LYS A 53 -6.516 -16.763 23.254 1.00 0.00 C ATOM 832 C LYS A 53 -6.681 -16.491 21.758 1.00 0.00 C ATOM 833 O LYS A 53 -7.087 -17.375 21.002 1.00 0.00 O ATOM 834 CB LYS A 53 -7.820 -16.434 23.979 1.00 0.00 C ATOM 835 CG LYS A 53 -7.671 -16.750 25.468 1.00 0.00 C ATOM 836 CD LYS A 53 -8.956 -16.364 26.200 1.00 0.00 C ATOM 837 CE LYS A 53 -8.754 -16.547 27.698 1.00 0.00 C ATOM 838 NZ LYS A 53 -9.950 -16.047 28.432 1.00 0.00 N ATOM 0 H LYS A 53 -5.713 -15.303 24.531 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.274 -17.818 23.386 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.068 -15.381 23.843 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.640 -17.012 23.554 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.465 -17.811 25.607 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.824 -16.204 25.884 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.217 -15.329 25.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.785 -16.982 25.855 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.590 -17.600 27.926 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.864 -16.008 28.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.644 -15.473 29.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.530 -15.465 27.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.512 -16.854 28.771 1.00 0.00 H new ATOM 852 N ILE A 54 -6.374 -15.267 21.329 1.00 0.00 N ATOM 853 CA ILE A 54 -6.510 -14.913 19.916 1.00 0.00 C ATOM 854 C ILE A 54 -5.549 -15.750 19.079 1.00 0.00 C ATOM 855 O ILE A 54 -5.778 -15.966 17.888 1.00 0.00 O ATOM 856 CB ILE A 54 -6.228 -13.399 19.713 1.00 0.00 C ATOM 857 CG1 ILE A 54 -7.463 -12.586 20.173 1.00 0.00 C ATOM 858 CG2 ILE A 54 -5.918 -13.078 18.232 1.00 0.00 C ATOM 859 CD1 ILE A 54 -7.384 -11.113 19.720 1.00 0.00 C ATOM 0 H ILE A 54 -6.035 -14.515 21.928 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.530 -15.120 19.593 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.355 -13.128 20.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.368 -13.041 19.771 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.541 -12.628 21.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.725 -12.011 18.124 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.039 -13.639 17.914 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.771 -13.357 17.613 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.270 -10.579 20.063 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.493 -10.649 20.144 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.333 -11.069 18.632 1.00 0.00 H new ATOM 871 N ASN A 55 -4.477 -16.214 19.698 1.00 0.00 N ATOM 872 CA ASN A 55 -3.499 -17.016 18.983 1.00 0.00 C ATOM 873 C ASN A 55 -4.197 -18.139 18.221 1.00 0.00 C ATOM 874 O ASN A 55 -3.643 -18.699 17.275 1.00 0.00 O ATOM 875 CB ASN A 55 -2.483 -17.603 19.966 1.00 0.00 C ATOM 876 CG ASN A 55 -1.485 -18.478 19.219 1.00 0.00 C ATOM 877 OD1 ASN A 55 -1.448 -19.692 19.420 1.00 0.00 O ATOM 878 ND2 ASN A 55 -0.669 -17.930 18.361 1.00 0.00 N ATOM 0 H ASN A 55 -4.263 -16.052 20.682 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.975 -16.379 18.270 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.959 -16.800 20.484 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.997 -18.191 20.726 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.002 -18.508 17.855 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.702 -16.924 18.197 1.00 0.00 H new ATOM 885 N ASP A 56 -5.420 -18.456 18.636 1.00 0.00 N ATOM 886 CA ASP A 56 -6.193 -19.508 17.983 1.00 0.00 C ATOM 887 C ASP A 56 -6.489 -19.136 16.530 1.00 0.00 C ATOM 888 O ASP A 56 -6.473 -19.994 15.650 1.00 0.00 O ATOM 889 CB ASP A 56 -7.509 -19.736 18.730 1.00 0.00 C ATOM 890 CG ASP A 56 -7.241 -20.439 20.057 1.00 0.00 C ATOM 891 OD1 ASP A 56 -6.112 -20.851 20.269 1.00 0.00 O ATOM 892 OD2 ASP A 56 -8.169 -20.557 20.840 1.00 0.00 O ATOM 0 H ASP A 56 -5.895 -18.003 19.417 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.604 -20.425 18.000 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.005 -18.782 18.908 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.183 -20.337 18.120 1.00 0.00 H new ATOM 897 N TYR A 57 -6.759 -17.854 16.284 1.00 0.00 N ATOM 898 CA TYR A 57 -7.062 -17.398 14.927 1.00 0.00 C ATOM 899 C TYR A 57 -5.925 -17.778 13.980 1.00 0.00 C ATOM 900 O TYR A 57 -6.164 -18.248 12.868 1.00 0.00 O ATOM 901 CB TYR A 57 -7.279 -15.872 14.908 1.00 0.00 C ATOM 902 CG TYR A 57 -8.651 -15.546 15.455 1.00 0.00 C ATOM 903 CD1 TYR A 57 -8.892 -15.627 16.831 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.679 -15.157 14.587 1.00 0.00 C ATOM 905 CE1 TYR A 57 -10.160 -15.321 17.340 1.00 0.00 C ATOM 906 CE2 TYR A 57 -10.947 -14.851 15.094 1.00 0.00 C ATOM 907 CZ TYR A 57 -11.188 -14.934 16.472 1.00 0.00 C ATOM 908 OH TYR A 57 -12.438 -14.632 16.972 1.00 0.00 O ATOM 0 H TYR A 57 -6.774 -17.122 16.994 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.979 -17.884 14.593 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.512 -15.378 15.505 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.183 -15.494 13.890 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.099 -15.926 17.501 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.493 -15.093 13.525 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.345 -15.384 18.402 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.739 -14.551 14.424 1.00 0.00 H new ATOM 0 HH TYR A 57 -12.349 -14.274 17.880 1.00 0.00 H new ATOM 918 N ILE A 58 -4.689 -17.586 14.430 1.00 0.00 N ATOM 919 CA ILE A 58 -3.531 -17.930 13.611 1.00 0.00 C ATOM 920 C ILE A 58 -3.491 -19.433 13.343 1.00 0.00 C ATOM 921 O ILE A 58 -3.226 -19.866 12.223 1.00 0.00 O ATOM 922 CB ILE A 58 -2.243 -17.494 14.315 1.00 0.00 C ATOM 923 CG1 ILE A 58 -2.184 -15.965 14.346 1.00 0.00 C ATOM 924 CG2 ILE A 58 -1.026 -18.034 13.556 1.00 0.00 C ATOM 925 CD1 ILE A 58 -1.047 -15.502 15.262 1.00 0.00 C ATOM 0 H ILE A 58 -4.464 -17.199 15.346 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.614 -17.407 12.658 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.234 -17.888 15.331 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.030 -15.578 13.338 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.133 -15.564 14.700 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.113 -17.720 14.062 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.069 -19.123 13.527 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.029 -17.644 12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.013 -14.413 15.278 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.219 -15.874 16.272 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.099 -15.889 14.889 1.00 0.00 H new ATOM 937 N ALA A 59 -3.751 -20.221 14.381 1.00 0.00 N ATOM 938 CA ALA A 59 -3.737 -21.675 14.249 1.00 0.00 C ATOM 939 C ALA A 59 -4.790 -22.136 13.246 1.00 0.00 C ATOM 940 O ALA A 59 -4.588 -23.116 12.529 1.00 0.00 O ATOM 941 CB ALA A 59 -4.001 -22.327 15.607 1.00 0.00 C ATOM 0 H ALA A 59 -3.973 -19.881 15.317 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.754 -21.976 13.887 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.989 -23.412 15.498 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.227 -22.024 16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.975 -22.011 15.979 1.00 0.00 H new ATOM 947 N GLU A 60 -5.914 -21.427 13.204 1.00 0.00 N ATOM 948 CA GLU A 60 -6.992 -21.775 12.283 1.00 0.00 C ATOM 949 C GLU A 60 -6.602 -21.458 10.839 1.00 0.00 C ATOM 950 O GLU A 60 -6.887 -22.234 9.927 1.00 0.00 O ATOM 951 CB GLU A 60 -8.260 -21.001 12.651 1.00 0.00 C ATOM 952 CG GLU A 60 -8.812 -21.523 13.979 1.00 0.00 C ATOM 953 CD GLU A 60 -10.011 -20.685 14.412 1.00 0.00 C ATOM 954 OE1 GLU A 60 -10.989 -20.665 13.683 1.00 0.00 O ATOM 955 OE2 GLU A 60 -9.933 -20.074 15.466 1.00 0.00 O ATOM 0 H GLU A 60 -6.102 -20.615 13.791 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.178 -22.846 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.038 -19.937 12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.007 -21.113 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.107 -22.567 13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.037 -21.486 14.744 1.00 0.00 H new ATOM 962 N HIS A 61 -5.954 -20.309 10.638 1.00 0.00 N ATOM 963 CA HIS A 61 -5.530 -19.889 9.298 1.00 0.00 C ATOM 964 C HIS A 61 -4.125 -19.292 9.342 1.00 0.00 C ATOM 965 O HIS A 61 -3.939 -18.102 9.088 1.00 0.00 O ATOM 966 CB HIS A 61 -6.509 -18.843 8.760 1.00 0.00 C ATOM 967 CG HIS A 61 -7.919 -19.322 8.976 1.00 0.00 C ATOM 968 ND1 HIS A 61 -8.469 -20.357 8.238 1.00 0.00 N ATOM 969 CD2 HIS A 61 -8.900 -18.922 9.849 1.00 0.00 C ATOM 970 CE1 HIS A 61 -9.727 -20.545 8.677 1.00 0.00 C ATOM 971 NE2 HIS A 61 -10.040 -19.697 9.658 1.00 0.00 N ATOM 0 H HIS A 61 -5.711 -19.654 11.381 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.520 -20.761 8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.355 -17.890 9.266 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.329 -18.673 7.698 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.802 -18.127 10.574 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.401 -21.291 8.283 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.925 -19.631 10.160 1.00 0.00 H new ATOM 979 N PRO A 62 -3.140 -20.089 9.669 1.00 0.00 N ATOM 980 CA PRO A 62 -1.727 -19.623 9.761 1.00 0.00 C ATOM 981 C PRO A 62 -1.108 -19.387 8.383 1.00 0.00 C ATOM 982 O PRO A 62 -0.103 -18.687 8.254 1.00 0.00 O ATOM 983 CB PRO A 62 -1.021 -20.759 10.516 1.00 0.00 C ATOM 984 CG PRO A 62 -1.820 -21.989 10.213 1.00 0.00 C ATOM 985 CD PRO A 62 -3.267 -21.525 9.974 1.00 0.00 C ATOM 0 HA PRO A 62 -1.638 -18.661 10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.012 -20.869 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -0.993 -20.562 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.427 -22.500 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.772 -22.696 11.041 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.728 -22.068 9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.889 -21.692 10.853 1.00 0.00 H new ATOM 993 N THR A 63 -1.715 -19.978 7.359 1.00 0.00 N ATOM 994 CA THR A 63 -1.213 -19.827 5.998 1.00 0.00 C ATOM 995 C THR A 63 -1.513 -18.430 5.465 1.00 0.00 C ATOM 996 O THR A 63 -0.811 -17.925 4.589 1.00 0.00 O ATOM 997 CB THR A 63 -1.862 -20.873 5.089 1.00 0.00 C ATOM 998 OG1 THR A 63 -3.271 -20.690 5.092 1.00 0.00 O ATOM 999 CG2 THR A 63 -1.529 -22.275 5.604 1.00 0.00 C ATOM 0 H THR A 63 -2.548 -20.561 7.444 1.00 0.00 H new ATOM 0 HA THR A 63 -0.133 -19.971 6.010 1.00 0.00 H new ATOM 0 HB THR A 63 -1.481 -20.760 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.689 -21.358 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.991 -23.020 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.448 -22.415 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.910 -22.390 6.619 1.00 0.00 H new ATOM 1007 N SER A 64 -2.559 -17.806 6.003 1.00 0.00 N ATOM 1008 CA SER A 64 -2.941 -16.462 5.579 1.00 0.00 C ATOM 1009 C SER A 64 -2.109 -15.412 6.308 1.00 0.00 C ATOM 1010 O SER A 64 -1.858 -15.531 7.508 1.00 0.00 O ATOM 1011 CB SER A 64 -4.427 -16.230 5.860 1.00 0.00 C ATOM 1012 OG SER A 64 -4.783 -14.918 5.445 1.00 0.00 O ATOM 0 H SER A 64 -3.153 -18.207 6.729 1.00 0.00 H new ATOM 0 HA SER A 64 -2.756 -16.372 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.029 -16.968 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.632 -16.356 6.923 1.00 0.00 H new ATOM 0 HG SER A 64 -5.735 -14.766 5.622 1.00 0.00 H new ATOM 1018 N GLY A 65 -1.686 -14.383 5.580 1.00 0.00 N ATOM 1019 CA GLY A 65 -0.886 -13.315 6.175 1.00 0.00 C ATOM 1020 C GLY A 65 -1.778 -12.287 6.861 1.00 0.00 C ATOM 1021 O GLY A 65 -1.306 -11.461 7.642 1.00 0.00 O ATOM 0 H GLY A 65 -1.881 -14.265 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.188 -13.737 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.290 -12.828 5.403 1.00 0.00 H new ATOM 1025 N ARG A 66 -3.071 -12.345 6.562 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.032 -11.419 7.150 1.00 0.00 C ATOM 1027 C ARG A 66 -4.132 -11.638 8.657 1.00 0.00 C ATOM 1028 O ARG A 66 -4.311 -10.691 9.422 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.412 -11.616 6.511 1.00 0.00 C ATOM 1030 CG ARG A 66 -5.351 -11.318 5.004 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.372 -9.804 4.752 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.458 -9.534 3.320 1.00 0.00 N ATOM 1033 CZ ARG A 66 -5.123 -8.346 2.825 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -4.707 -7.399 3.621 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -5.209 -8.127 1.542 1.00 0.00 N ATOM 0 H ARG A 66 -3.478 -13.022 5.917 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.688 -10.402 6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.752 -12.639 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.139 -10.959 6.989 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.445 -11.751 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.196 -11.788 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.221 -9.354 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.472 -9.347 5.163 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.780 -10.268 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.638 -7.570 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.450 -6.488 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.533 -8.867 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.952 -7.216 1.162 1.00 0.00 H new ATOM 1049 N ASN A 67 -4.017 -12.894 9.076 1.00 0.00 N ATOM 1050 CA ASN A 67 -4.102 -13.231 10.492 1.00 0.00 C ATOM 1051 C ASN A 67 -3.105 -12.399 11.292 1.00 0.00 C ATOM 1052 O ASN A 67 -3.376 -12.015 12.425 1.00 0.00 O ATOM 1053 CB ASN A 67 -3.811 -14.723 10.690 1.00 0.00 C ATOM 1054 CG ASN A 67 -5.037 -15.549 10.315 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -5.245 -15.850 9.140 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -5.864 -15.935 11.248 1.00 0.00 N ATOM 0 H ASN A 67 -3.865 -13.692 8.459 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.109 -13.011 10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.961 -15.020 10.076 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.538 -14.914 11.728 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.686 -16.488 11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.689 -15.684 12.221 1.00 0.00 H new ATOM 1063 N GLN A 68 -1.953 -12.120 10.696 1.00 0.00 N ATOM 1064 CA GLN A 68 -0.935 -11.329 11.375 1.00 0.00 C ATOM 1065 C GLN A 68 -1.509 -9.984 11.817 1.00 0.00 C ATOM 1066 O GLN A 68 -1.228 -9.513 12.918 1.00 0.00 O ATOM 1067 CB GLN A 68 0.252 -11.095 10.442 1.00 0.00 C ATOM 1068 CG GLN A 68 0.964 -12.424 10.178 1.00 0.00 C ATOM 1069 CD GLN A 68 2.101 -12.216 9.185 1.00 0.00 C ATOM 1070 OE1 GLN A 68 2.364 -11.087 8.766 1.00 0.00 O ATOM 1071 NE2 GLN A 68 2.798 -13.242 8.782 1.00 0.00 N ATOM 0 H GLN A 68 -1.702 -12.425 9.756 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.602 -11.878 12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.090 -10.661 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.945 -10.382 10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.355 -12.829 11.112 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.256 -13.154 9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.579 -14.176 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.562 -13.111 8.119 1.00 0.00 H new ATOM 1080 N ALA A 69 -2.314 -9.370 10.952 1.00 0.00 N ATOM 1081 CA ALA A 69 -2.915 -8.078 11.274 1.00 0.00 C ATOM 1082 C ALA A 69 -4.058 -8.245 12.273 1.00 0.00 C ATOM 1083 O ALA A 69 -4.119 -7.540 13.277 1.00 0.00 O ATOM 1084 CB ALA A 69 -3.445 -7.414 10.003 1.00 0.00 C ATOM 0 H ALA A 69 -2.563 -9.740 10.035 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.146 -7.449 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.891 -6.452 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.624 -7.262 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.199 -8.055 9.545 1.00 0.00 H new ATOM 1090 N LEU A 70 -4.957 -9.184 11.992 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.092 -9.434 12.880 1.00 0.00 C ATOM 1092 C LEU A 70 -5.612 -9.897 14.246 1.00 0.00 C ATOM 1093 O LEU A 70 -6.125 -9.459 15.270 1.00 0.00 O ATOM 1094 CB LEU A 70 -6.996 -10.525 12.276 1.00 0.00 C ATOM 1095 CG LEU A 70 -7.977 -9.910 11.278 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -7.213 -9.085 10.242 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -8.749 -11.026 10.572 1.00 0.00 C ATOM 0 H LEU A 70 -4.924 -9.780 11.165 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.650 -8.504 12.991 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.385 -11.278 11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.544 -11.033 13.070 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.674 -9.262 11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.917 -8.649 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.664 -8.289 10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.513 -9.728 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.449 -10.590 9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.050 -11.674 10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.299 -11.611 11.309 1.00 0.00 H new ATOM 1109 N THR A 71 -4.645 -10.799 14.260 1.00 0.00 N ATOM 1110 CA THR A 71 -4.153 -11.315 15.522 1.00 0.00 C ATOM 1111 C THR A 71 -3.573 -10.199 16.372 1.00 0.00 C ATOM 1112 O THR A 71 -3.952 -10.022 17.529 1.00 0.00 O ATOM 1113 CB THR A 71 -3.074 -12.375 15.282 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.569 -13.334 14.361 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.700 -13.079 16.607 1.00 0.00 C ATOM 0 H THR A 71 -4.194 -11.182 13.429 1.00 0.00 H new ATOM 0 HA THR A 71 -4.995 -11.765 16.049 1.00 0.00 H new ATOM 0 HB THR A 71 -2.182 -11.893 14.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.597 -12.941 13.463 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.932 -13.829 16.417 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.321 -12.343 17.316 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.583 -13.562 17.024 1.00 0.00 H new ATOM 1123 N GLN A 72 -2.653 -9.450 15.789 1.00 0.00 N ATOM 1124 CA GLN A 72 -2.018 -8.354 16.497 1.00 0.00 C ATOM 1125 C GLN A 72 -2.996 -7.212 16.749 1.00 0.00 C ATOM 1126 O GLN A 72 -2.987 -6.605 17.821 1.00 0.00 O ATOM 1127 CB GLN A 72 -0.833 -7.844 15.683 1.00 0.00 C ATOM 1128 CG GLN A 72 -0.130 -6.719 16.446 1.00 0.00 C ATOM 1129 CD GLN A 72 1.145 -6.308 15.721 1.00 0.00 C ATOM 1130 OE1 GLN A 72 1.632 -7.038 14.856 1.00 0.00 O ATOM 1131 NE2 GLN A 72 1.718 -5.177 16.024 1.00 0.00 N ATOM 0 H GLN A 72 -2.330 -9.581 14.830 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.677 -8.724 17.464 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.134 -8.658 15.491 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.174 -7.481 14.714 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.796 -5.861 16.539 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.108 -7.049 17.457 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.312 -4.575 16.741 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.572 -4.894 15.544 1.00 0.00 H new ATOM 1140 N LEU A 73 -3.807 -6.892 15.746 1.00 0.00 N ATOM 1141 CA LEU A 73 -4.746 -5.783 15.880 1.00 0.00 C ATOM 1142 C LEU A 73 -5.816 -6.064 16.928 1.00 0.00 C ATOM 1143 O LEU A 73 -6.004 -5.287 17.864 1.00 0.00 O ATOM 1144 CB LEU A 73 -5.421 -5.487 14.525 1.00 0.00 C ATOM 1145 CG LEU A 73 -6.436 -4.320 14.634 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -7.759 -4.793 15.295 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -5.811 -3.162 15.442 1.00 0.00 C ATOM 0 H LEU A 73 -3.835 -7.374 14.847 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.173 -4.915 16.206 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.660 -5.239 13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.932 -6.382 14.169 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.673 -3.969 13.630 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.453 -3.955 15.359 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.203 -5.587 14.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.551 -5.170 16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.526 -2.343 15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.555 -3.513 16.442 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.910 -2.812 14.938 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.526 -7.168 16.760 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.583 -7.527 17.693 1.00 0.00 C ATOM 1161 C LYS A 74 -6.993 -7.720 19.078 1.00 0.00 C ATOM 1162 O LYS A 74 -7.586 -7.331 20.086 1.00 0.00 O ATOM 1163 CB LYS A 74 -8.271 -8.817 17.225 1.00 0.00 C ATOM 1164 CG LYS A 74 -8.994 -8.580 15.896 1.00 0.00 C ATOM 1165 CD LYS A 74 -9.933 -9.759 15.608 1.00 0.00 C ATOM 1166 CE LYS A 74 -9.166 -11.082 15.725 1.00 0.00 C ATOM 1167 NZ LYS A 74 -9.926 -12.161 15.034 1.00 0.00 N ATOM 0 H LYS A 74 -6.392 -7.827 15.993 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.323 -6.728 17.730 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.532 -9.610 17.109 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.983 -9.152 17.979 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.562 -7.651 15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.269 -8.473 15.089 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.767 -9.750 16.309 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.356 -9.662 14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.175 -10.980 15.283 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.022 -11.339 16.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.150 -12.917 15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.809 -11.771 14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.351 -12.550 14.260 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.814 -8.315 19.124 1.00 0.00 N ATOM 1182 CA GLU A 75 -5.161 -8.553 20.394 1.00 0.00 C ATOM 1183 C GLU A 75 -5.073 -7.256 21.176 1.00 0.00 C ATOM 1184 O GLU A 75 -5.029 -7.266 22.403 1.00 0.00 O ATOM 1185 CB GLU A 75 -3.757 -9.143 20.160 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.865 -8.963 21.403 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.266 -7.559 21.430 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.872 -7.086 20.378 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.211 -6.979 22.503 1.00 0.00 O ATOM 0 H GLU A 75 -5.296 -8.638 18.306 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.744 -9.270 20.972 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.840 -10.203 19.919 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.293 -8.656 19.302 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.451 -9.133 22.306 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.067 -9.706 21.396 1.00 0.00 H new ATOM 1196 N GLN A 76 -5.035 -6.141 20.470 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.951 -4.866 21.149 1.00 0.00 C ATOM 1198 C GLN A 76 -6.286 -4.509 21.804 1.00 0.00 C ATOM 1199 O GLN A 76 -6.398 -4.464 23.025 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.577 -3.781 20.140 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.314 -2.462 20.868 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.930 -1.391 19.856 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -4.550 -1.289 18.798 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -2.938 -0.586 20.114 1.00 0.00 N ATOM 0 H GLN A 76 -5.060 -6.093 19.451 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.190 -4.935 21.926 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.690 -4.081 19.582 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.381 -3.653 19.416 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.203 -2.155 21.419 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.515 -2.590 21.598 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.426 -0.673 20.992 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.674 0.131 19.438 1.00 0.00 H new ATOM 1213 N VAL A 77 -7.291 -4.227 20.979 1.00 0.00 N ATOM 1214 CA VAL A 77 -8.608 -3.845 21.485 1.00 0.00 C ATOM 1215 C VAL A 77 -9.576 -5.001 21.781 1.00 0.00 C ATOM 1216 O VAL A 77 -10.152 -5.077 22.845 1.00 0.00 O ATOM 1217 CB VAL A 77 -9.271 -2.909 20.511 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -9.536 -3.650 19.200 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -10.575 -2.421 21.150 1.00 0.00 C ATOM 0 H VAL A 77 -7.220 -4.255 19.962 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.404 -3.375 22.447 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.636 -2.052 20.286 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.016 -2.975 18.491 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.592 -4.002 18.784 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.189 -4.502 19.389 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.081 -1.739 20.468 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.221 -3.274 21.356 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.351 -1.902 22.082 1.00 0.00 H new ATOM 1229 N THR A 78 -9.827 -5.853 20.809 1.00 0.00 N ATOM 1230 CA THR A 78 -10.793 -6.930 20.999 1.00 0.00 C ATOM 1231 C THR A 78 -10.522 -7.594 22.324 1.00 0.00 C ATOM 1232 O THR A 78 -11.435 -7.873 23.103 1.00 0.00 O ATOM 1233 CB THR A 78 -10.675 -7.885 19.813 1.00 0.00 C ATOM 1234 OG1 THR A 78 -11.661 -7.564 18.844 1.00 0.00 O ATOM 1235 CG2 THR A 78 -10.801 -9.342 20.246 1.00 0.00 C ATOM 0 H THR A 78 -9.386 -5.828 19.890 1.00 0.00 H new ATOM 0 HA THR A 78 -11.819 -6.564 21.030 1.00 0.00 H new ATOM 0 HB THR A 78 -9.684 -7.765 19.375 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.531 -7.906 19.137 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.712 -9.990 19.374 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.010 -9.580 20.957 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.771 -9.499 20.717 1.00 0.00 H new ATOM 1243 N SER A 79 -9.263 -7.783 22.599 1.00 0.00 N ATOM 1244 CA SER A 79 -8.881 -8.340 23.853 1.00 0.00 C ATOM 1245 C SER A 79 -9.171 -7.331 24.952 1.00 0.00 C ATOM 1246 O SER A 79 -9.473 -7.713 26.073 1.00 0.00 O ATOM 1247 CB SER A 79 -7.404 -8.718 23.818 1.00 0.00 C ATOM 1248 OG SER A 79 -7.153 -9.527 22.683 1.00 0.00 O ATOM 0 H SER A 79 -8.491 -7.559 21.971 1.00 0.00 H new ATOM 0 HA SER A 79 -9.453 -9.246 24.055 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.788 -7.820 23.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.133 -9.254 24.728 1.00 0.00 H new ATOM 0 HG SER A 79 -6.249 -9.900 22.741 1.00 0.00 H new ATOM 1254 N ALA A 80 -9.071 -6.033 24.621 1.00 0.00 N ATOM 1255 CA ALA A 80 -9.309 -4.978 25.606 1.00 0.00 C ATOM 1256 C ALA A 80 -10.570 -5.240 26.402 1.00 0.00 C ATOM 1257 O ALA A 80 -10.846 -4.530 27.362 1.00 0.00 O ATOM 1258 CB ALA A 80 -9.313 -3.575 25.004 1.00 0.00 C ATOM 0 H ALA A 80 -8.830 -5.697 23.689 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.460 -5.009 26.289 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.495 -2.842 25.790 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.348 -3.376 24.539 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.099 -3.504 24.253 1.00 0.00 H new ATOM 1264 N LEU A 81 -11.328 -6.286 26.030 1.00 0.00 N ATOM 1265 CA LEU A 81 -12.515 -6.687 26.796 1.00 0.00 C ATOM 1266 C LEU A 81 -12.387 -8.103 27.382 1.00 0.00 C ATOM 1267 O LEU A 81 -13.121 -8.462 28.304 1.00 0.00 O ATOM 1268 CB LEU A 81 -13.761 -6.526 25.957 1.00 0.00 C ATOM 1269 CG LEU A 81 -13.870 -5.058 25.584 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -15.012 -4.885 24.594 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -14.094 -4.195 26.859 1.00 0.00 C ATOM 0 H LEU A 81 -11.140 -6.863 25.210 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.597 -6.020 27.654 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.704 -7.146 25.062 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.642 -6.847 26.512 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.944 -4.722 25.118 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.099 -3.834 24.319 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.813 -5.478 23.701 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -15.943 -5.219 25.051 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.171 -3.144 26.578 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.015 -4.507 27.352 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.254 -4.328 27.541 1.00 0.00 H new ATOM 1283 N GLY A 82 -11.448 -8.897 26.867 1.00 0.00 N ATOM 1284 CA GLY A 82 -11.251 -10.248 27.387 1.00 0.00 C ATOM 1285 C GLY A 82 -12.546 -11.049 27.320 1.00 0.00 C ATOM 1286 O GLY A 82 -13.040 -11.537 28.337 1.00 0.00 O ATOM 0 H GLY A 82 -10.823 -8.634 26.105 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.475 -10.754 26.812 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.902 -10.198 28.418 1.00 0.00 H new ATOM 1290 N LEU A 83 -13.106 -11.168 26.120 1.00 0.00 N ATOM 1291 CA LEU A 83 -14.357 -11.898 25.952 1.00 0.00 C ATOM 1292 C LEU A 83 -14.132 -13.404 26.043 1.00 0.00 C ATOM 1293 O LEU A 83 -15.089 -14.177 26.045 1.00 0.00 O ATOM 1294 CB LEU A 83 -15.012 -11.566 24.607 1.00 0.00 C ATOM 1295 CG LEU A 83 -15.051 -10.041 24.365 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -15.563 -9.312 25.613 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -13.655 -9.499 23.974 1.00 0.00 C ATOM 0 H LEU A 83 -12.720 -10.775 25.262 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.021 -11.588 26.759 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.460 -12.051 23.802 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -16.026 -11.966 24.585 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.735 -9.855 23.537 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.584 -8.239 25.424 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.569 -9.658 25.850 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.901 -9.520 26.453 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.715 -8.423 23.810 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.947 -9.705 24.777 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.318 -9.987 23.059 1.00 0.00 H new ATOM 1309 N GLU A 84 -12.871 -13.818 26.120 1.00 0.00 N ATOM 1310 CA GLU A 84 -12.556 -15.242 26.216 1.00 0.00 C ATOM 1311 C GLU A 84 -13.141 -16.004 25.033 1.00 0.00 C ATOM 1312 O GLU A 84 -14.360 -16.097 24.882 1.00 0.00 O ATOM 1313 CB GLU A 84 -13.101 -15.816 27.529 1.00 0.00 C ATOM 1314 CG GLU A 84 -12.748 -17.303 27.636 1.00 0.00 C ATOM 1315 CD GLU A 84 -13.171 -17.834 29.001 1.00 0.00 C ATOM 1316 OE1 GLU A 84 -13.888 -17.127 29.691 1.00 0.00 O ATOM 1317 OE2 GLU A 84 -12.771 -18.935 29.338 1.00 0.00 O ATOM 0 H GLU A 84 -12.060 -13.199 26.118 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.472 -15.355 26.200 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.681 -15.272 28.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.182 -15.686 27.571 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.248 -17.863 26.846 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.676 -17.443 27.497 1.00 0.00 H new ATOM 1324 N HIS A 85 -12.264 -16.550 24.201 1.00 0.00 N ATOM 1325 CA HIS A 85 -12.701 -17.304 23.034 1.00 0.00 C ATOM 1326 C HIS A 85 -13.541 -18.501 23.466 1.00 0.00 C ATOM 1327 O HIS A 85 -13.100 -19.327 24.265 1.00 0.00 O ATOM 1328 CB HIS A 85 -11.486 -17.789 22.243 1.00 0.00 C ATOM 1329 CG HIS A 85 -11.945 -18.417 20.958 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -12.293 -19.755 20.872 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -12.122 -17.902 19.698 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -12.660 -19.999 19.602 1.00 0.00 C ATOM 1333 NE2 HIS A 85 -12.574 -18.902 18.843 1.00 0.00 N ATOM 0 H HIS A 85 -11.252 -16.486 24.311 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.306 -16.653 22.403 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.817 -16.954 22.034 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.920 -18.511 22.831 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -11.938 -16.876 19.414 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.985 -20.963 19.239 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -12.793 -18.817 17.850 1.00 0.00 H new ATOM 1341 N HIS A 86 -14.755 -18.586 22.933 1.00 0.00 N ATOM 1342 CA HIS A 86 -15.655 -19.683 23.269 1.00 0.00 C ATOM 1343 C HIS A 86 -15.370 -20.897 22.394 1.00 0.00 C ATOM 1344 O HIS A 86 -15.065 -20.762 21.209 1.00 0.00 O ATOM 1345 CB HIS A 86 -17.107 -19.241 23.078 1.00 0.00 C ATOM 1346 CG HIS A 86 -17.412 -18.104 24.013 1.00 0.00 C ATOM 1347 ND1 HIS A 86 -17.658 -18.300 25.364 1.00 0.00 N ATOM 1348 CD2 HIS A 86 -17.515 -16.749 23.808 1.00 0.00 C ATOM 1349 CE1 HIS A 86 -17.894 -17.095 25.913 1.00 0.00 C ATOM 1350 NE2 HIS A 86 -17.819 -16.116 25.009 1.00 0.00 N ATOM 0 H HIS A 86 -15.137 -17.912 22.270 1.00 0.00 H new ATOM 0 HA HIS A 86 -15.493 -19.957 24.311 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.271 -18.931 22.046 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.781 -20.076 23.271 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.380 -16.251 22.859 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.117 -16.939 26.958 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.955 -15.117 25.165 1.00 0.00 H new ATOM 1358 N HIS A 87 -15.470 -22.084 22.985 1.00 0.00 N ATOM 1359 CA HIS A 87 -15.220 -23.322 22.250 1.00 0.00 C ATOM 1360 C HIS A 87 -16.020 -24.470 22.853 1.00 0.00 C ATOM 1361 O HIS A 87 -16.469 -24.394 23.997 1.00 0.00 O ATOM 1362 CB HIS A 87 -13.730 -23.659 22.286 1.00 0.00 C ATOM 1363 CG HIS A 87 -13.269 -23.745 23.715 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -12.658 -22.682 24.359 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -13.326 -24.761 24.638 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -12.374 -23.076 25.614 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -12.759 -24.335 25.837 1.00 0.00 N ATOM 0 H HIS A 87 -15.721 -22.216 23.965 1.00 0.00 H new ATOM 0 HA HIS A 87 -15.533 -23.180 21.216 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -13.548 -24.605 21.777 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.161 -22.896 21.755 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.746 -25.740 24.461 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -11.893 -22.450 26.351 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.659 -24.870 26.700 1.00 0.00 H new ATOM 1375 N HIS A 88 -16.194 -25.535 22.076 1.00 0.00 N ATOM 1376 CA HIS A 88 -16.942 -26.700 22.541 1.00 0.00 C ATOM 1377 C HIS A 88 -16.482 -27.956 21.807 1.00 0.00 C ATOM 1378 O HIS A 88 -15.864 -27.874 20.746 1.00 0.00 O ATOM 1379 CB HIS A 88 -18.439 -26.486 22.305 1.00 0.00 C ATOM 1380 CG HIS A 88 -18.689 -26.261 20.838 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -18.375 -25.065 20.211 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -19.223 -27.066 19.864 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -18.721 -25.184 18.916 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -19.242 -26.384 18.651 1.00 0.00 N ATOM 0 H HIS A 88 -15.830 -25.616 21.127 1.00 0.00 H new ATOM 0 HA HIS A 88 -16.758 -26.828 23.608 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -19.000 -27.354 22.651 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -18.790 -25.629 22.880 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -19.575 -28.076 20.015 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -18.593 -24.404 18.181 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -19.581 -26.727 17.752 1.00 0.00 H new ATOM 1392 N HIS A 89 -16.786 -29.116 22.379 1.00 0.00 N ATOM 1393 CA HIS A 89 -16.395 -30.379 21.767 1.00 0.00 C ATOM 1394 C HIS A 89 -17.314 -30.706 20.592 1.00 0.00 C ATOM 1395 O HIS A 89 -18.537 -30.679 20.722 1.00 0.00 O ATOM 1396 CB HIS A 89 -16.459 -31.506 22.806 1.00 0.00 C ATOM 1397 CG HIS A 89 -16.207 -32.831 22.136 1.00 0.00 C ATOM 1398 ND1 HIS A 89 -14.953 -33.200 21.679 1.00 0.00 N ATOM 1399 CD2 HIS A 89 -17.039 -33.882 21.839 1.00 0.00 C ATOM 1400 CE1 HIS A 89 -15.063 -34.426 21.136 1.00 0.00 C ATOM 1401 NE2 HIS A 89 -16.314 -34.888 21.208 1.00 0.00 N ATOM 0 H HIS A 89 -17.297 -29.207 23.257 1.00 0.00 H new ATOM 0 HA HIS A 89 -15.373 -30.287 21.399 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -15.718 -31.336 23.587 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -17.436 -31.512 23.290 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -18.095 -33.922 22.061 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.240 -34.970 20.696 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -16.663 -35.786 20.872 1.00 0.00 H new ATOM 1409 N HIS A 90 -16.713 -31.011 19.446 1.00 0.00 N ATOM 1410 CA HIS A 90 -17.486 -31.340 18.254 1.00 0.00 C ATOM 1411 C HIS A 90 -16.603 -32.022 17.214 1.00 0.00 C ATOM 1412 O HIS A 90 -16.154 -31.340 16.308 1.00 0.00 O ATOM 1413 CB HIS A 90 -18.092 -30.068 17.656 1.00 0.00 C ATOM 1414 CG HIS A 90 -19.089 -30.440 16.595 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -18.711 -30.728 15.292 1.00 0.00 N ATOM 1416 CD2 HIS A 90 -20.456 -30.576 16.626 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -19.827 -31.022 14.600 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -20.919 -30.943 15.367 1.00 0.00 N ATOM 1419 OXT HIS A 90 -16.388 -33.216 17.341 1.00 0.00 O ATOM 0 H HIS A 90 -15.701 -31.037 19.318 1.00 0.00 H new ATOM 0 HA HIS A 90 -18.286 -32.023 18.540 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -18.577 -29.482 18.436 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -17.307 -29.444 17.230 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -17.759 -30.719 14.925 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -21.077 -30.421 17.496 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.839 -31.289 13.554 1.00 0.00 H new TER 1427 HIS A 90