USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 937 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 37 TYR OH : rot 180:sc= 0.688 USER MOD Set 1.2: A 69 SER OG : rot -143:sc= 0.766 USER MOD Single : A 1 MET CE :methyl -135:sc= -1.98! (180deg=-4.83!) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.00998 (180deg=-0.0728) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.017) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.0675 K(o=0.068,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.154 (180deg=-0.761) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.385 X(o=0.38,f=-0.03) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 39 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -120:sc= 0.0855 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 144:sc= 0.978 (180deg=0.0491) USER MOD Single : A 88 ASN : amide:sc= 0.324 X(o=0.32,f=-0.0023) USER MOD Single : A 90 THR OG1 : rot 64:sc= 0.174 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -130:sc= 0.524 USER MOD Single : A 101 SER OG : rot 180:sc= -0.115 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 72:sc= 0.0379 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.3) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.00082) USER MOD Single : A 111 HIS : no HD1:sc= -0.852 X(o=-0.85,f=-0.68) USER MOD Single : A 112 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.592 -3.559 20.764 1.00 75.42 N ATOM 2 CA MET A 1 -4.549 -3.442 19.294 1.00 54.04 C ATOM 3 C MET A 1 -3.244 -4.056 18.756 1.00 12.10 C ATOM 4 O MET A 1 -2.181 -3.884 19.364 1.00 61.13 O ATOM 5 CB MET A 1 -4.715 -1.956 18.872 1.00 64.33 C ATOM 6 CG MET A 1 -3.647 -0.984 19.398 1.00 43.35 C ATOM 7 SD MET A 1 -4.041 0.740 19.024 1.00 31.34 S ATOM 8 CE MET A 1 -4.280 0.703 17.247 1.00 42.13 C ATOM 0 H1 MET A 1 -5.079 -2.731 21.164 1.00 75.42 H new ATOM 0 H2 MET A 1 -5.105 -4.424 21.029 1.00 75.42 H new ATOM 0 H3 MET A 1 -3.622 -3.604 21.137 1.00 75.42 H new ATOM 0 HA MET A 1 -5.378 -3.999 18.857 1.00 54.04 H new ATOM 0 HB2 MET A 1 -4.719 -1.906 17.783 1.00 64.33 H new ATOM 0 HB3 MET A 1 -5.692 -1.610 19.210 1.00 64.33 H new ATOM 0 HG2 MET A 1 -3.548 -1.106 20.477 1.00 43.35 H new ATOM 0 HG3 MET A 1 -2.682 -1.237 18.959 1.00 43.35 H new ATOM 0 HE1 MET A 1 -3.763 1.548 16.793 1.00 42.13 H new ATOM 0 HE2 MET A 1 -3.878 -0.227 16.845 1.00 42.13 H new ATOM 0 HE3 MET A 1 -5.345 0.765 17.022 1.00 42.13 H new ATOM 20 N LEU A 2 -3.338 -4.778 17.623 1.00 60.42 N ATOM 21 CA LEU A 2 -2.201 -5.532 17.029 1.00 1.51 C ATOM 22 C LEU A 2 -1.666 -4.831 15.774 1.00 43.10 C ATOM 23 O LEU A 2 -2.382 -4.045 15.151 1.00 41.52 O ATOM 24 CB LEU A 2 -2.621 -7.012 16.730 1.00 43.13 C ATOM 25 CG LEU A 2 -3.889 -7.263 15.819 1.00 71.04 C ATOM 26 CD1 LEU A 2 -3.624 -6.983 14.320 1.00 62.31 C ATOM 27 CD2 LEU A 2 -4.423 -8.697 16.008 1.00 11.33 C ATOM 0 H LEU A 2 -4.203 -4.859 17.088 1.00 60.42 H new ATOM 0 HA LEU A 2 -1.388 -5.555 17.755 1.00 1.51 H new ATOM 0 HB2 LEU A 2 -1.772 -7.510 16.262 1.00 43.13 H new ATOM 0 HB3 LEU A 2 -2.795 -7.508 17.685 1.00 43.13 H new ATOM 0 HG LEU A 2 -4.646 -6.550 16.145 1.00 71.04 H new ATOM 0 HD11 LEU A 2 -4.532 -7.174 13.748 1.00 62.31 H new ATOM 0 HD12 LEU A 2 -3.326 -5.942 14.191 1.00 62.31 H new ATOM 0 HD13 LEU A 2 -2.827 -7.635 13.963 1.00 62.31 H new ATOM 0 HD21 LEU A 2 -5.295 -8.847 15.372 1.00 11.33 H new ATOM 0 HD22 LEU A 2 -3.647 -9.413 15.736 1.00 11.33 H new ATOM 0 HD23 LEU A 2 -4.704 -8.846 17.050 1.00 11.33 H new ATOM 39 N THR A 3 -0.411 -5.128 15.407 1.00 74.22 N ATOM 40 CA THR A 3 0.213 -4.628 14.174 1.00 14.10 C ATOM 41 C THR A 3 0.351 -5.774 13.152 1.00 5.03 C ATOM 42 O THR A 3 0.787 -6.871 13.511 1.00 63.30 O ATOM 43 CB THR A 3 1.623 -4.023 14.479 1.00 61.04 C ATOM 44 OG1 THR A 3 1.511 -3.047 15.532 1.00 44.20 O ATOM 45 CG2 THR A 3 2.249 -3.358 13.240 1.00 65.31 C ATOM 0 H THR A 3 0.203 -5.725 15.961 1.00 74.22 H new ATOM 0 HA THR A 3 -0.422 -3.846 13.758 1.00 14.10 H new ATOM 0 HB THR A 3 2.273 -4.843 14.784 1.00 61.04 H new ATOM 0 HG1 THR A 3 2.395 -2.670 15.724 1.00 44.20 H new ATOM 0 HG21 THR A 3 3.227 -2.952 13.500 1.00 65.31 H new ATOM 0 HG22 THR A 3 2.362 -4.098 12.448 1.00 65.31 H new ATOM 0 HG23 THR A 3 1.602 -2.552 12.894 1.00 65.31 H new ATOM 53 N VAL A 4 -0.051 -5.512 11.894 1.00 22.33 N ATOM 54 CA VAL A 4 0.169 -6.422 10.755 1.00 54.42 C ATOM 55 C VAL A 4 1.151 -5.747 9.770 1.00 50.11 C ATOM 56 O VAL A 4 1.091 -4.531 9.547 1.00 71.14 O ATOM 57 CB VAL A 4 -1.190 -6.805 10.043 1.00 41.53 C ATOM 58 CG1 VAL A 4 -1.888 -5.568 9.437 1.00 63.02 C ATOM 59 CG2 VAL A 4 -0.998 -7.921 8.979 1.00 51.12 C ATOM 0 H VAL A 4 -0.542 -4.655 11.638 1.00 22.33 H new ATOM 0 HA VAL A 4 0.599 -7.356 11.117 1.00 54.42 H new ATOM 0 HB VAL A 4 -1.845 -7.206 10.816 1.00 41.53 H new ATOM 0 HG11 VAL A 4 -2.818 -5.874 8.957 1.00 63.02 H new ATOM 0 HG12 VAL A 4 -2.106 -4.850 10.227 1.00 63.02 H new ATOM 0 HG13 VAL A 4 -1.233 -5.106 8.698 1.00 63.02 H new ATOM 0 HG21 VAL A 4 -1.958 -8.151 8.516 1.00 51.12 H new ATOM 0 HG22 VAL A 4 -0.299 -7.579 8.215 1.00 51.12 H new ATOM 0 HG23 VAL A 4 -0.602 -8.816 9.458 1.00 51.12 H new ATOM 69 N GLU A 5 2.069 -6.542 9.210 1.00 74.41 N ATOM 70 CA GLU A 5 3.149 -6.073 8.329 1.00 74.20 C ATOM 71 C GLU A 5 3.256 -7.021 7.129 1.00 0.13 C ATOM 72 O GLU A 5 3.500 -8.230 7.300 1.00 63.51 O ATOM 73 CB GLU A 5 4.509 -6.012 9.092 1.00 42.12 C ATOM 74 CG GLU A 5 4.529 -5.043 10.293 1.00 10.13 C ATOM 75 CD GLU A 5 5.895 -4.974 10.995 1.00 61.42 C ATOM 76 OE1 GLU A 5 6.163 -5.809 11.889 1.00 12.33 O ATOM 77 OE2 GLU A 5 6.711 -4.087 10.654 1.00 73.30 O ATOM 0 H GLU A 5 2.084 -7.551 9.358 1.00 74.41 H new ATOM 0 HA GLU A 5 2.917 -5.065 7.986 1.00 74.20 H new ATOM 0 HB2 GLU A 5 4.758 -7.013 9.445 1.00 42.12 H new ATOM 0 HB3 GLU A 5 5.291 -5.718 8.392 1.00 42.12 H new ATOM 0 HG2 GLU A 5 4.253 -4.046 9.951 1.00 10.13 H new ATOM 0 HG3 GLU A 5 3.773 -5.353 11.014 1.00 10.13 H new ATOM 84 N VAL A 6 3.052 -6.470 5.923 1.00 3.14 N ATOM 85 CA VAL A 6 3.167 -7.207 4.661 1.00 22.45 C ATOM 86 C VAL A 6 4.152 -6.477 3.712 1.00 63.04 C ATOM 87 O VAL A 6 4.057 -5.256 3.491 1.00 30.21 O ATOM 88 CB VAL A 6 1.750 -7.440 3.986 1.00 2.25 C ATOM 89 CG1 VAL A 6 0.962 -6.127 3.781 1.00 53.21 C ATOM 90 CG2 VAL A 6 1.879 -8.219 2.657 1.00 75.51 C ATOM 0 H VAL A 6 2.800 -5.490 5.798 1.00 3.14 H new ATOM 0 HA VAL A 6 3.570 -8.198 4.873 1.00 22.45 H new ATOM 0 HB VAL A 6 1.175 -8.047 4.685 1.00 2.25 H new ATOM 0 HG11 VAL A 6 0.001 -6.348 3.316 1.00 53.21 H new ATOM 0 HG12 VAL A 6 0.796 -5.648 4.746 1.00 53.21 H new ATOM 0 HG13 VAL A 6 1.532 -5.458 3.136 1.00 53.21 H new ATOM 0 HG21 VAL A 6 0.890 -8.361 2.221 1.00 75.51 H new ATOM 0 HG22 VAL A 6 2.503 -7.655 1.964 1.00 75.51 H new ATOM 0 HG23 VAL A 6 2.335 -9.191 2.848 1.00 75.51 H new ATOM 100 N GLU A 7 5.120 -7.252 3.206 1.00 65.10 N ATOM 101 CA GLU A 7 6.158 -6.813 2.270 1.00 72.53 C ATOM 102 C GLU A 7 5.649 -7.013 0.830 1.00 2.14 C ATOM 103 O GLU A 7 5.369 -8.147 0.422 1.00 33.11 O ATOM 104 CB GLU A 7 7.427 -7.670 2.528 1.00 62.43 C ATOM 105 CG GLU A 7 8.620 -7.381 1.603 1.00 44.31 C ATOM 106 CD GLU A 7 9.800 -8.339 1.852 1.00 30.03 C ATOM 107 OE1 GLU A 7 10.543 -8.147 2.839 1.00 61.42 O ATOM 108 OE2 GLU A 7 9.973 -9.313 1.083 1.00 3.23 O ATOM 0 H GLU A 7 5.203 -8.239 3.448 1.00 65.10 H new ATOM 0 HA GLU A 7 6.396 -5.759 2.409 1.00 72.53 H new ATOM 0 HB2 GLU A 7 7.744 -7.517 3.560 1.00 62.43 H new ATOM 0 HB3 GLU A 7 7.160 -8.722 2.430 1.00 62.43 H new ATOM 0 HG2 GLU A 7 8.300 -7.465 0.564 1.00 44.31 H new ATOM 0 HG3 GLU A 7 8.952 -6.353 1.752 1.00 44.31 H new ATOM 115 N VAL A 8 5.515 -5.911 0.073 1.00 25.31 N ATOM 116 CA VAL A 8 5.001 -5.931 -1.311 1.00 11.31 C ATOM 117 C VAL A 8 6.110 -5.503 -2.292 1.00 61.23 C ATOM 118 O VAL A 8 6.652 -4.414 -2.179 1.00 31.42 O ATOM 119 CB VAL A 8 3.735 -5.003 -1.475 1.00 54.42 C ATOM 120 CG1 VAL A 8 3.170 -5.076 -2.917 1.00 41.13 C ATOM 121 CG2 VAL A 8 2.636 -5.349 -0.428 1.00 65.43 C ATOM 0 H VAL A 8 5.760 -4.977 0.403 1.00 25.31 H new ATOM 0 HA VAL A 8 4.693 -6.951 -1.540 1.00 11.31 H new ATOM 0 HB VAL A 8 4.056 -3.978 -1.291 1.00 54.42 H new ATOM 0 HG11 VAL A 8 2.299 -4.426 -3.000 1.00 41.13 H new ATOM 0 HG12 VAL A 8 3.933 -4.751 -3.624 1.00 41.13 H new ATOM 0 HG13 VAL A 8 2.880 -6.102 -3.143 1.00 41.13 H new ATOM 0 HG21 VAL A 8 1.779 -4.691 -0.570 1.00 65.43 H new ATOM 0 HG22 VAL A 8 2.323 -6.385 -0.557 1.00 65.43 H new ATOM 0 HG23 VAL A 8 3.035 -5.213 0.577 1.00 65.43 H new ATOM 131 N LYS A 9 6.448 -6.387 -3.246 1.00 74.21 N ATOM 132 CA LYS A 9 7.468 -6.124 -4.285 1.00 60.23 C ATOM 133 C LYS A 9 6.800 -5.587 -5.566 1.00 21.12 C ATOM 134 O LYS A 9 6.088 -6.325 -6.247 1.00 22.11 O ATOM 135 CB LYS A 9 8.293 -7.421 -4.579 1.00 73.33 C ATOM 136 CG LYS A 9 9.635 -7.513 -3.823 1.00 52.52 C ATOM 137 CD LYS A 9 9.511 -7.442 -2.288 1.00 60.13 C ATOM 138 CE LYS A 9 10.883 -7.452 -1.590 1.00 74.22 C ATOM 139 NZ LYS A 9 11.640 -8.711 -1.824 1.00 64.30 N ATOM 0 H LYS A 9 6.021 -7.310 -3.322 1.00 74.21 H new ATOM 0 HA LYS A 9 8.157 -5.363 -3.919 1.00 60.23 H new ATOM 0 HB2 LYS A 9 7.686 -8.289 -4.321 1.00 73.33 H new ATOM 0 HB3 LYS A 9 8.490 -7.476 -5.650 1.00 73.33 H new ATOM 0 HG2 LYS A 9 10.126 -8.448 -4.092 1.00 52.52 H new ATOM 0 HG3 LYS A 9 10.283 -6.704 -4.160 1.00 52.52 H new ATOM 0 HD2 LYS A 9 8.971 -6.536 -2.011 1.00 60.13 H new ATOM 0 HD3 LYS A 9 8.920 -8.286 -1.934 1.00 60.13 H new ATOM 0 HE2 LYS A 9 11.473 -6.607 -1.946 1.00 74.22 H new ATOM 0 HE3 LYS A 9 10.741 -7.313 -0.518 1.00 74.22 H new ATOM 0 HZ1 LYS A 9 12.532 -8.684 -1.290 1.00 64.30 H new ATOM 0 HZ2 LYS A 9 11.071 -9.522 -1.507 1.00 64.30 H new ATOM 0 HZ3 LYS A 9 11.846 -8.809 -2.839 1.00 64.30 H new ATOM 153 N ILE A 10 7.047 -4.303 -5.888 1.00 53.25 N ATOM 154 CA ILE A 10 6.484 -3.644 -7.082 1.00 50.01 C ATOM 155 C ILE A 10 7.589 -3.476 -8.133 1.00 54.40 C ATOM 156 O ILE A 10 8.456 -2.612 -7.988 1.00 72.32 O ATOM 157 CB ILE A 10 5.866 -2.212 -6.795 1.00 44.12 C ATOM 158 CG1 ILE A 10 4.789 -2.232 -5.654 1.00 71.15 C ATOM 159 CG2 ILE A 10 5.277 -1.593 -8.094 1.00 73.40 C ATOM 160 CD1 ILE A 10 5.345 -2.194 -4.245 1.00 12.04 C ATOM 0 H ILE A 10 7.643 -3.693 -5.328 1.00 53.25 H new ATOM 0 HA ILE A 10 5.675 -4.287 -7.429 1.00 50.01 H new ATOM 0 HB ILE A 10 6.685 -1.584 -6.444 1.00 44.12 H new ATOM 0 HG12 ILE A 10 4.124 -1.379 -5.789 1.00 71.15 H new ATOM 0 HG13 ILE A 10 4.182 -3.130 -5.764 1.00 71.15 H new ATOM 0 HG21 ILE A 10 4.859 -0.611 -7.872 1.00 73.40 H new ATOM 0 HG22 ILE A 10 6.066 -1.491 -8.839 1.00 73.40 H new ATOM 0 HG23 ILE A 10 4.492 -2.242 -8.483 1.00 73.40 H new ATOM 0 HD11 ILE A 10 4.523 -2.211 -3.529 1.00 12.04 H new ATOM 0 HD12 ILE A 10 5.986 -3.061 -4.083 1.00 12.04 H new ATOM 0 HD13 ILE A 10 5.927 -1.282 -4.108 1.00 12.04 H new ATOM 172 N THR A 11 7.543 -4.277 -9.191 1.00 61.12 N ATOM 173 CA THR A 11 8.430 -4.114 -10.355 1.00 22.32 C ATOM 174 C THR A 11 7.642 -3.392 -11.471 1.00 64.00 C ATOM 175 O THR A 11 6.656 -3.913 -11.992 1.00 54.41 O ATOM 176 CB THR A 11 9.036 -5.486 -10.835 1.00 25.10 C ATOM 177 OG1 THR A 11 9.796 -5.306 -12.040 1.00 45.35 O ATOM 178 CG2 THR A 11 7.969 -6.579 -11.047 1.00 52.21 C ATOM 0 H THR A 11 6.894 -5.059 -9.274 1.00 61.12 H new ATOM 0 HA THR A 11 9.290 -3.506 -10.075 1.00 22.32 H new ATOM 0 HB THR A 11 9.689 -5.830 -10.033 1.00 25.10 H new ATOM 0 HG1 THR A 11 10.167 -6.167 -12.324 1.00 45.35 H new ATOM 0 HG21 THR A 11 8.451 -7.499 -11.377 1.00 52.21 H new ATOM 0 HG22 THR A 11 7.443 -6.761 -10.110 1.00 52.21 H new ATOM 0 HG23 THR A 11 7.257 -6.251 -11.804 1.00 52.21 H new ATOM 186 N ALA A 12 8.074 -2.166 -11.794 1.00 72.14 N ATOM 187 CA ALA A 12 7.378 -1.260 -12.738 1.00 53.42 C ATOM 188 C ALA A 12 8.364 -0.737 -13.792 1.00 73.25 C ATOM 189 O ALA A 12 9.506 -1.208 -13.856 1.00 60.21 O ATOM 190 CB ALA A 12 6.714 -0.106 -11.966 1.00 73.42 C ATOM 0 H ALA A 12 8.927 -1.763 -11.406 1.00 72.14 H new ATOM 0 HA ALA A 12 6.595 -1.811 -13.258 1.00 53.42 H new ATOM 0 HB1 ALA A 12 6.205 0.555 -12.667 1.00 73.42 H new ATOM 0 HB2 ALA A 12 5.991 -0.511 -11.258 1.00 73.42 H new ATOM 0 HB3 ALA A 12 7.476 0.456 -11.425 1.00 73.42 H new ATOM 196 N ASP A 13 7.901 0.209 -14.650 1.00 0.14 N ATOM 197 CA ASP A 13 8.744 0.882 -15.674 1.00 53.30 C ATOM 198 C ASP A 13 9.974 1.543 -15.026 1.00 64.44 C ATOM 199 O ASP A 13 11.088 1.491 -15.570 1.00 33.13 O ATOM 200 CB ASP A 13 7.909 1.937 -16.469 1.00 53.31 C ATOM 201 CG ASP A 13 7.425 3.155 -15.637 1.00 74.12 C ATOM 202 OD1 ASP A 13 6.908 2.959 -14.519 1.00 5.14 O ATOM 203 OD2 ASP A 13 7.556 4.316 -16.103 1.00 43.04 O ATOM 0 H ASP A 13 6.932 0.527 -14.651 1.00 0.14 H new ATOM 0 HA ASP A 13 9.096 0.123 -16.373 1.00 53.30 H new ATOM 0 HB2 ASP A 13 8.511 2.301 -17.302 1.00 53.31 H new ATOM 0 HB3 ASP A 13 7.039 1.440 -16.898 1.00 53.31 H new ATOM 208 N ASP A 14 9.750 2.143 -13.848 1.00 1.34 N ATOM 209 CA ASP A 14 10.803 2.740 -13.024 1.00 33.11 C ATOM 210 C ASP A 14 10.423 2.624 -11.543 1.00 74.31 C ATOM 211 O ASP A 14 9.255 2.743 -11.176 1.00 50.11 O ATOM 212 CB ASP A 14 11.054 4.221 -13.434 1.00 31.30 C ATOM 213 CG ASP A 14 12.046 4.968 -12.518 1.00 44.01 C ATOM 214 OD1 ASP A 14 13.159 4.446 -12.259 1.00 21.25 O ATOM 215 OD2 ASP A 14 11.714 6.075 -12.037 1.00 22.24 O ATOM 0 H ASP A 14 8.820 2.227 -13.438 1.00 1.34 H new ATOM 0 HA ASP A 14 11.735 2.199 -13.186 1.00 33.11 H new ATOM 0 HB2 ASP A 14 11.431 4.245 -14.456 1.00 31.30 H new ATOM 0 HB3 ASP A 14 10.103 4.754 -13.433 1.00 31.30 H new ATOM 220 N GLU A 15 11.442 2.354 -10.721 1.00 33.10 N ATOM 221 CA GLU A 15 11.329 2.226 -9.263 1.00 72.13 C ATOM 222 C GLU A 15 10.898 3.551 -8.585 1.00 31.41 C ATOM 223 O GLU A 15 10.129 3.535 -7.620 1.00 71.10 O ATOM 224 CB GLU A 15 12.694 1.738 -8.710 1.00 0.13 C ATOM 225 CG GLU A 15 13.890 2.664 -9.059 1.00 73.25 C ATOM 226 CD GLU A 15 15.280 2.036 -8.855 1.00 64.35 C ATOM 227 OE1 GLU A 15 15.434 1.163 -7.975 1.00 10.41 O ATOM 228 OE2 GLU A 15 16.225 2.417 -9.580 1.00 23.44 O ATOM 0 H GLU A 15 12.394 2.215 -11.060 1.00 33.10 H new ATOM 0 HA GLU A 15 10.547 1.502 -9.033 1.00 72.13 H new ATOM 0 HB2 GLU A 15 12.623 1.648 -7.626 1.00 0.13 H new ATOM 0 HB3 GLU A 15 12.896 0.740 -9.100 1.00 0.13 H new ATOM 0 HG2 GLU A 15 13.798 2.975 -10.100 1.00 73.25 H new ATOM 0 HG3 GLU A 15 13.822 3.565 -8.450 1.00 73.25 H new ATOM 235 N ASN A 16 11.396 4.693 -9.096 1.00 43.21 N ATOM 236 CA ASN A 16 11.087 6.018 -8.514 1.00 31.50 C ATOM 237 C ASN A 16 9.649 6.392 -8.882 1.00 72.24 C ATOM 238 O ASN A 16 8.933 6.967 -8.065 1.00 41.44 O ATOM 239 CB ASN A 16 12.083 7.105 -8.995 1.00 1.30 C ATOM 240 CG ASN A 16 13.536 6.711 -8.754 1.00 74.34 C ATOM 241 OD1 ASN A 16 14.104 6.993 -7.699 1.00 44.24 O ATOM 242 ND2 ASN A 16 14.140 6.026 -9.714 1.00 33.31 N ATOM 0 H ASN A 16 12.012 4.727 -9.908 1.00 43.21 H new ATOM 0 HA ASN A 16 11.188 5.961 -7.430 1.00 31.50 H new ATOM 0 HB2 ASN A 16 11.931 7.288 -10.059 1.00 1.30 H new ATOM 0 HB3 ASN A 16 11.873 8.041 -8.477 1.00 1.30 H new ATOM 0 HD21 ASN A 16 15.104 5.716 -9.590 1.00 33.31 H new ATOM 0 HD22 ASN A 16 13.641 5.809 -10.577 1.00 33.31 H new ATOM 249 N LYS A 17 9.237 6.019 -10.121 1.00 40.22 N ATOM 250 CA LYS A 17 7.840 6.152 -10.598 1.00 4.13 C ATOM 251 C LYS A 17 6.897 5.392 -9.667 1.00 10.42 C ATOM 252 O LYS A 17 5.938 5.967 -9.143 1.00 62.15 O ATOM 253 CB LYS A 17 7.688 5.597 -12.053 1.00 12.14 C ATOM 254 CG LYS A 17 8.063 6.573 -13.186 1.00 43.33 C ATOM 255 CD LYS A 17 7.055 7.748 -13.315 1.00 32.54 C ATOM 256 CE LYS A 17 7.125 8.436 -14.690 1.00 53.23 C ATOM 257 NZ LYS A 17 6.924 7.465 -15.802 1.00 71.43 N ATOM 0 H LYS A 17 9.866 5.618 -10.816 1.00 40.22 H new ATOM 0 HA LYS A 17 7.583 7.211 -10.600 1.00 4.13 H new ATOM 0 HB2 LYS A 17 8.307 4.705 -12.148 1.00 12.14 H new ATOM 0 HB3 LYS A 17 6.654 5.284 -12.196 1.00 12.14 H new ATOM 0 HG2 LYS A 17 9.060 6.972 -13.002 1.00 43.33 H new ATOM 0 HG3 LYS A 17 8.106 6.030 -14.130 1.00 43.33 H new ATOM 0 HD2 LYS A 17 6.044 7.375 -13.150 1.00 32.54 H new ATOM 0 HD3 LYS A 17 7.255 8.482 -12.534 1.00 32.54 H new ATOM 0 HE2 LYS A 17 6.366 9.216 -14.746 1.00 53.23 H new ATOM 0 HE3 LYS A 17 8.093 8.925 -14.804 1.00 53.23 H new ATOM 0 HZ1 LYS A 17 6.560 7.965 -16.638 1.00 71.43 H new ATOM 0 HZ2 LYS A 17 7.831 7.013 -16.036 1.00 71.43 H new ATOM 0 HZ3 LYS A 17 6.241 6.738 -15.509 1.00 71.43 H new ATOM 271 N ALA A 18 7.210 4.095 -9.468 1.00 35.41 N ATOM 272 CA ALA A 18 6.420 3.175 -8.635 1.00 53.22 C ATOM 273 C ALA A 18 6.301 3.694 -7.197 1.00 10.54 C ATOM 274 O ALA A 18 5.243 3.562 -6.585 1.00 2.45 O ATOM 275 CB ALA A 18 7.040 1.765 -8.660 1.00 54.20 C ATOM 0 H ALA A 18 8.029 3.655 -9.888 1.00 35.41 H new ATOM 0 HA ALA A 18 5.414 3.118 -9.050 1.00 53.22 H new ATOM 0 HB1 ALA A 18 6.445 1.095 -8.039 1.00 54.20 H new ATOM 0 HB2 ALA A 18 7.056 1.393 -9.684 1.00 54.20 H new ATOM 0 HB3 ALA A 18 8.058 1.808 -8.274 1.00 54.20 H new ATOM 281 N GLU A 19 7.391 4.300 -6.680 1.00 35.15 N ATOM 282 CA GLU A 19 7.399 4.892 -5.337 1.00 1.43 C ATOM 283 C GLU A 19 6.423 6.082 -5.271 1.00 21.41 C ATOM 284 O GLU A 19 5.615 6.151 -4.354 1.00 33.33 O ATOM 285 CB GLU A 19 8.823 5.332 -4.892 1.00 41.51 C ATOM 286 CG GLU A 19 8.851 5.954 -3.470 1.00 63.32 C ATOM 287 CD GLU A 19 10.227 6.424 -2.993 1.00 32.11 C ATOM 288 OE1 GLU A 19 10.816 7.298 -3.659 1.00 72.34 O ATOM 289 OE2 GLU A 19 10.730 5.921 -1.960 1.00 71.05 O ATOM 0 H GLU A 19 8.276 4.389 -7.179 1.00 35.15 H new ATOM 0 HA GLU A 19 7.071 4.119 -4.642 1.00 1.43 H new ATOM 0 HB2 GLU A 19 9.488 4.469 -4.918 1.00 41.51 H new ATOM 0 HB3 GLU A 19 9.213 6.057 -5.607 1.00 41.51 H new ATOM 0 HG2 GLU A 19 8.167 6.802 -3.448 1.00 63.32 H new ATOM 0 HG3 GLU A 19 8.470 5.219 -2.761 1.00 63.32 H new ATOM 296 N GLU A 20 6.495 6.990 -6.274 1.00 31.33 N ATOM 297 CA GLU A 20 5.642 8.203 -6.345 1.00 53.22 C ATOM 298 C GLU A 20 4.148 7.832 -6.333 1.00 31.41 C ATOM 299 O GLU A 20 3.362 8.410 -5.571 1.00 70.11 O ATOM 300 CB GLU A 20 5.949 9.022 -7.631 1.00 62.50 C ATOM 301 CG GLU A 20 7.363 9.624 -7.708 1.00 11.22 C ATOM 302 CD GLU A 20 7.656 10.272 -9.073 1.00 60.52 C ATOM 303 OE1 GLU A 20 7.895 9.525 -10.048 1.00 13.35 O ATOM 304 OE2 GLU A 20 7.611 11.518 -9.185 1.00 41.32 O ATOM 0 H GLU A 20 7.145 6.903 -7.056 1.00 31.33 H new ATOM 0 HA GLU A 20 5.868 8.808 -5.467 1.00 53.22 H new ATOM 0 HB2 GLU A 20 5.800 8.377 -8.497 1.00 62.50 H new ATOM 0 HB3 GLU A 20 5.223 9.832 -7.708 1.00 62.50 H new ATOM 0 HG2 GLU A 20 7.479 10.371 -6.923 1.00 11.22 H new ATOM 0 HG3 GLU A 20 8.098 8.842 -7.516 1.00 11.22 H new ATOM 311 N ILE A 21 3.786 6.853 -7.188 1.00 73.20 N ATOM 312 CA ILE A 21 2.392 6.417 -7.382 1.00 4.40 C ATOM 313 C ILE A 21 1.857 5.795 -6.091 1.00 23.14 C ATOM 314 O ILE A 21 0.850 6.247 -5.565 1.00 35.12 O ATOM 315 CB ILE A 21 2.261 5.390 -8.569 1.00 10.32 C ATOM 316 CG1 ILE A 21 2.851 5.999 -9.875 1.00 2.13 C ATOM 317 CG2 ILE A 21 0.785 4.946 -8.783 1.00 44.20 C ATOM 318 CD1 ILE A 21 2.917 5.049 -11.054 1.00 55.33 C ATOM 0 H ILE A 21 4.456 6.343 -7.764 1.00 73.20 H new ATOM 0 HA ILE A 21 1.801 7.296 -7.638 1.00 4.40 H new ATOM 0 HB ILE A 21 2.833 4.500 -8.307 1.00 10.32 H new ATOM 0 HG12 ILE A 21 2.251 6.864 -10.158 1.00 2.13 H new ATOM 0 HG13 ILE A 21 3.856 6.364 -9.665 1.00 2.13 H new ATOM 0 HG21 ILE A 21 0.734 4.238 -9.610 1.00 44.20 H new ATOM 0 HG22 ILE A 21 0.413 4.471 -7.875 1.00 44.20 H new ATOM 0 HG23 ILE A 21 0.173 5.818 -9.014 1.00 44.20 H new ATOM 0 HD11 ILE A 21 3.342 5.566 -11.914 1.00 55.33 H new ATOM 0 HD12 ILE A 21 3.544 4.195 -10.798 1.00 55.33 H new ATOM 0 HD13 ILE A 21 1.913 4.702 -11.298 1.00 55.33 H new ATOM 330 N VAL A 22 2.586 4.788 -5.577 1.00 62.41 N ATOM 331 CA VAL A 22 2.193 4.041 -4.375 1.00 44.04 C ATOM 332 C VAL A 22 2.057 4.987 -3.162 1.00 20.34 C ATOM 333 O VAL A 22 1.027 4.969 -2.507 1.00 61.34 O ATOM 334 CB VAL A 22 3.189 2.847 -4.094 1.00 11.33 C ATOM 335 CG1 VAL A 22 2.952 2.200 -2.718 1.00 61.03 C ATOM 336 CG2 VAL A 22 3.080 1.771 -5.204 1.00 24.14 C ATOM 0 H VAL A 22 3.465 4.471 -5.986 1.00 62.41 H new ATOM 0 HA VAL A 22 1.212 3.598 -4.550 1.00 44.04 H new ATOM 0 HB VAL A 22 4.194 3.269 -4.094 1.00 11.33 H new ATOM 0 HG11 VAL A 22 3.661 1.385 -2.572 1.00 61.03 H new ATOM 0 HG12 VAL A 22 3.091 2.946 -1.936 1.00 61.03 H new ATOM 0 HG13 VAL A 22 1.935 1.810 -2.670 1.00 61.03 H new ATOM 0 HG21 VAL A 22 3.774 0.958 -4.992 1.00 24.14 H new ATOM 0 HG22 VAL A 22 2.062 1.381 -5.234 1.00 24.14 H new ATOM 0 HG23 VAL A 22 3.327 2.216 -6.168 1.00 24.14 H new ATOM 346 N LYS A 23 3.068 5.858 -2.923 1.00 71.05 N ATOM 347 CA LYS A 23 3.039 6.833 -1.803 1.00 52.23 C ATOM 348 C LYS A 23 1.805 7.754 -1.882 1.00 63.25 C ATOM 349 O LYS A 23 1.116 7.949 -0.868 1.00 54.03 O ATOM 350 CB LYS A 23 4.326 7.705 -1.736 1.00 51.22 C ATOM 351 CG LYS A 23 5.602 6.956 -1.295 1.00 24.13 C ATOM 352 CD LYS A 23 6.802 7.905 -1.049 1.00 11.32 C ATOM 353 CE LYS A 23 6.562 8.887 0.115 1.00 60.44 C ATOM 354 NZ LYS A 23 7.717 9.793 0.332 1.00 44.23 N ATOM 0 H LYS A 23 3.914 5.906 -3.491 1.00 71.05 H new ATOM 0 HA LYS A 23 2.984 6.235 -0.893 1.00 52.23 H new ATOM 0 HB2 LYS A 23 4.501 8.142 -2.719 1.00 51.22 H new ATOM 0 HB3 LYS A 23 4.151 8.531 -1.046 1.00 51.22 H new ATOM 0 HG2 LYS A 23 5.393 6.398 -0.382 1.00 24.13 H new ATOM 0 HG3 LYS A 23 5.872 6.227 -2.059 1.00 24.13 H new ATOM 0 HD2 LYS A 23 7.691 7.311 -0.839 1.00 11.32 H new ATOM 0 HD3 LYS A 23 7.004 8.470 -1.959 1.00 11.32 H new ATOM 0 HE2 LYS A 23 5.671 9.480 -0.090 1.00 60.44 H new ATOM 0 HE3 LYS A 23 6.367 8.325 1.028 1.00 60.44 H new ATOM 0 HZ1 LYS A 23 7.511 10.435 1.124 1.00 44.23 H new ATOM 0 HZ2 LYS A 23 8.563 9.230 0.554 1.00 44.23 H new ATOM 0 HZ3 LYS A 23 7.888 10.350 -0.530 1.00 44.23 H new ATOM 368 N ARG A 24 1.535 8.300 -3.090 1.00 20.53 N ATOM 369 CA ARG A 24 0.389 9.197 -3.321 1.00 51.14 C ATOM 370 C ARG A 24 -0.928 8.487 -2.979 1.00 13.02 C ATOM 371 O ARG A 24 -1.670 8.929 -2.104 1.00 23.10 O ATOM 372 CB ARG A 24 0.328 9.708 -4.796 1.00 71.35 C ATOM 373 CG ARG A 24 -0.951 10.532 -5.092 1.00 72.42 C ATOM 374 CD ARG A 24 -1.115 10.970 -6.553 1.00 14.41 C ATOM 375 NE ARG A 24 -2.467 11.530 -6.758 1.00 23.15 N ATOM 376 CZ ARG A 24 -2.771 12.665 -7.405 1.00 72.02 C ATOM 377 NH1 ARG A 24 -1.831 13.425 -7.966 1.00 55.55 N ATOM 378 NH2 ARG A 24 -4.035 13.054 -7.451 1.00 23.31 N ATOM 0 H ARG A 24 2.101 8.131 -3.921 1.00 20.53 H new ATOM 0 HA ARG A 24 0.527 10.058 -2.668 1.00 51.14 H new ATOM 0 HB2 ARG A 24 1.206 10.321 -5.000 1.00 71.35 H new ATOM 0 HB3 ARG A 24 0.371 8.855 -5.474 1.00 71.35 H new ATOM 0 HG2 ARG A 24 -1.821 9.941 -4.806 1.00 72.42 H new ATOM 0 HG3 ARG A 24 -0.947 11.420 -4.460 1.00 72.42 H new ATOM 0 HD2 ARG A 24 -0.361 11.715 -6.806 1.00 14.41 H new ATOM 0 HD3 ARG A 24 -0.959 10.120 -7.217 1.00 14.41 H new ATOM 0 HE ARG A 24 -3.247 11.001 -6.369 1.00 23.15 H new ATOM 0 HH11 ARG A 24 -0.851 13.149 -7.910 1.00 55.55 H new ATOM 0 HH12 ARG A 24 -2.092 14.283 -8.452 1.00 55.55 H new ATOM 0 HH21 ARG A 24 -4.758 12.494 -6.999 1.00 23.31 H new ATOM 0 HH22 ARG A 24 -4.286 13.914 -7.938 1.00 23.31 H new ATOM 392 N VAL A 25 -1.156 7.363 -3.665 1.00 24.34 N ATOM 393 CA VAL A 25 -2.429 6.639 -3.647 1.00 63.03 C ATOM 394 C VAL A 25 -2.732 6.079 -2.243 1.00 71.44 C ATOM 395 O VAL A 25 -3.883 6.142 -1.796 1.00 44.22 O ATOM 396 CB VAL A 25 -2.442 5.506 -4.735 1.00 75.35 C ATOM 397 CG1 VAL A 25 -3.778 4.753 -4.723 1.00 21.14 C ATOM 398 CG2 VAL A 25 -2.162 6.078 -6.151 1.00 53.04 C ATOM 0 H VAL A 25 -0.450 6.925 -4.257 1.00 24.34 H new ATOM 0 HA VAL A 25 -3.223 7.344 -3.893 1.00 63.03 H new ATOM 0 HB VAL A 25 -1.644 4.806 -4.488 1.00 75.35 H new ATOM 0 HG11 VAL A 25 -3.763 3.974 -5.485 1.00 21.14 H new ATOM 0 HG12 VAL A 25 -3.932 4.300 -3.743 1.00 21.14 H new ATOM 0 HG13 VAL A 25 -4.590 5.449 -4.932 1.00 21.14 H new ATOM 0 HG21 VAL A 25 -2.178 5.268 -6.880 1.00 53.04 H new ATOM 0 HG22 VAL A 25 -2.928 6.811 -6.405 1.00 53.04 H new ATOM 0 HG23 VAL A 25 -1.183 6.557 -6.163 1.00 53.04 H new ATOM 408 N ILE A 26 -1.683 5.578 -1.546 1.00 71.21 N ATOM 409 CA ILE A 26 -1.793 5.138 -0.142 1.00 4.24 C ATOM 410 C ILE A 26 -2.312 6.295 0.705 1.00 41.51 C ATOM 411 O ILE A 26 -3.299 6.125 1.393 1.00 64.03 O ATOM 412 CB ILE A 26 -0.434 4.625 0.476 1.00 63.42 C ATOM 413 CG1 ILE A 26 0.020 3.289 -0.180 1.00 54.12 C ATOM 414 CG2 ILE A 26 -0.528 4.465 2.025 1.00 14.32 C ATOM 415 CD1 ILE A 26 1.329 2.734 0.348 1.00 24.23 C ATOM 0 H ILE A 26 -0.748 5.470 -1.940 1.00 71.21 H new ATOM 0 HA ILE A 26 -2.481 4.292 -0.137 1.00 4.24 H new ATOM 0 HB ILE A 26 0.318 5.385 0.261 1.00 63.42 H new ATOM 0 HG12 ILE A 26 -0.761 2.543 -0.031 1.00 54.12 H new ATOM 0 HG13 ILE A 26 0.114 3.442 -1.255 1.00 54.12 H new ATOM 0 HG21 ILE A 26 0.427 4.110 2.413 1.00 14.32 H new ATOM 0 HG22 ILE A 26 -0.768 5.428 2.476 1.00 14.32 H new ATOM 0 HG23 ILE A 26 -1.309 3.745 2.270 1.00 14.32 H new ATOM 0 HD11 ILE A 26 1.564 1.803 -0.168 1.00 24.23 H new ATOM 0 HD12 ILE A 26 2.127 3.456 0.174 1.00 24.23 H new ATOM 0 HD13 ILE A 26 1.239 2.544 1.417 1.00 24.23 H new ATOM 427 N ASP A 27 -1.649 7.468 0.590 1.00 53.31 N ATOM 428 CA ASP A 27 -1.961 8.670 1.395 1.00 60.23 C ATOM 429 C ASP A 27 -3.422 9.123 1.188 1.00 41.14 C ATOM 430 O ASP A 27 -4.112 9.464 2.157 1.00 30.44 O ATOM 431 CB ASP A 27 -0.979 9.813 1.032 1.00 73.41 C ATOM 432 CG ASP A 27 -1.207 11.113 1.829 1.00 62.34 C ATOM 433 OD1 ASP A 27 -2.008 11.969 1.393 1.00 52.14 O ATOM 434 OD2 ASP A 27 -0.606 11.277 2.907 1.00 11.22 O ATOM 0 H ASP A 27 -0.880 7.608 -0.066 1.00 53.31 H new ATOM 0 HA ASP A 27 -1.843 8.417 2.449 1.00 60.23 H new ATOM 0 HB2 ASP A 27 0.041 9.469 1.202 1.00 73.41 H new ATOM 0 HB3 ASP A 27 -1.069 10.031 -0.032 1.00 73.41 H new ATOM 439 N GLU A 28 -3.883 9.095 -0.079 1.00 20.54 N ATOM 440 CA GLU A 28 -5.248 9.519 -0.455 1.00 64.05 C ATOM 441 C GLU A 28 -6.301 8.595 0.188 1.00 24.12 C ATOM 442 O GLU A 28 -7.338 9.063 0.664 1.00 55.23 O ATOM 443 CB GLU A 28 -5.412 9.532 -1.994 1.00 33.32 C ATOM 444 CG GLU A 28 -4.432 10.461 -2.734 1.00 20.43 C ATOM 445 CD GLU A 28 -4.557 10.367 -4.262 1.00 64.41 C ATOM 446 OE1 GLU A 28 -4.350 9.263 -4.811 1.00 4.43 O ATOM 447 OE2 GLU A 28 -4.861 11.383 -4.925 1.00 74.43 O ATOM 0 H GLU A 28 -3.321 8.779 -0.869 1.00 20.54 H new ATOM 0 HA GLU A 28 -5.403 10.532 -0.083 1.00 64.05 H new ATOM 0 HB2 GLU A 28 -5.283 8.517 -2.369 1.00 33.32 H new ATOM 0 HB3 GLU A 28 -6.431 9.834 -2.235 1.00 33.32 H new ATOM 0 HG2 GLU A 28 -4.610 11.490 -2.423 1.00 20.43 H new ATOM 0 HG3 GLU A 28 -3.412 10.211 -2.442 1.00 20.43 H new ATOM 454 N VAL A 29 -6.011 7.282 0.199 1.00 25.41 N ATOM 455 CA VAL A 29 -6.890 6.274 0.828 1.00 45.31 C ATOM 456 C VAL A 29 -6.721 6.284 2.361 1.00 2.44 C ATOM 457 O VAL A 29 -7.666 6.017 3.081 1.00 60.33 O ATOM 458 CB VAL A 29 -6.607 4.828 0.262 1.00 71.01 C ATOM 459 CG1 VAL A 29 -7.567 3.769 0.864 1.00 70.31 C ATOM 460 CG2 VAL A 29 -6.701 4.815 -1.278 1.00 45.30 C ATOM 0 H VAL A 29 -5.169 6.890 -0.223 1.00 25.41 H new ATOM 0 HA VAL A 29 -7.919 6.539 0.584 1.00 45.31 H new ATOM 0 HB VAL A 29 -5.592 4.562 0.559 1.00 71.01 H new ATOM 0 HG11 VAL A 29 -7.336 2.789 0.446 1.00 70.31 H new ATOM 0 HG12 VAL A 29 -7.444 3.740 1.947 1.00 70.31 H new ATOM 0 HG13 VAL A 29 -8.597 4.033 0.623 1.00 70.31 H new ATOM 0 HG21 VAL A 29 -6.502 3.808 -1.646 1.00 45.30 H new ATOM 0 HG22 VAL A 29 -7.701 5.123 -1.584 1.00 45.30 H new ATOM 0 HG23 VAL A 29 -5.966 5.505 -1.693 1.00 45.30 H new ATOM 470 N GLU A 30 -5.518 6.656 2.835 1.00 31.35 N ATOM 471 CA GLU A 30 -5.117 6.581 4.263 1.00 31.31 C ATOM 472 C GLU A 30 -5.876 7.614 5.095 1.00 12.11 C ATOM 473 O GLU A 30 -6.329 7.317 6.199 1.00 4.22 O ATOM 474 CB GLU A 30 -3.590 6.815 4.389 1.00 63.15 C ATOM 475 CG GLU A 30 -3.021 6.794 5.819 1.00 22.44 C ATOM 476 CD GLU A 30 -1.524 7.133 5.864 1.00 23.02 C ATOM 477 OE1 GLU A 30 -0.685 6.218 5.719 1.00 4.30 O ATOM 478 OE2 GLU A 30 -1.183 8.325 6.022 1.00 20.23 O ATOM 0 H GLU A 30 -4.782 7.024 2.232 1.00 31.35 H new ATOM 0 HA GLU A 30 -5.364 5.589 4.642 1.00 31.31 H new ATOM 0 HB2 GLU A 30 -3.076 6.053 3.803 1.00 63.15 H new ATOM 0 HB3 GLU A 30 -3.351 7.778 3.938 1.00 63.15 H new ATOM 0 HG2 GLU A 30 -3.570 7.507 6.435 1.00 22.44 H new ATOM 0 HG3 GLU A 30 -3.180 5.808 6.255 1.00 22.44 H new ATOM 485 N ARG A 31 -6.019 8.824 4.531 1.00 52.11 N ATOM 486 CA ARG A 31 -6.741 9.932 5.169 1.00 55.33 C ATOM 487 C ARG A 31 -8.262 9.657 5.158 1.00 34.03 C ATOM 488 O ARG A 31 -8.980 10.097 6.060 1.00 75.51 O ATOM 489 CB ARG A 31 -6.359 11.273 4.475 1.00 43.55 C ATOM 490 CG ARG A 31 -6.716 11.372 2.963 1.00 63.41 C ATOM 491 CD ARG A 31 -5.801 12.359 2.194 1.00 4.14 C ATOM 492 NE ARG A 31 -5.760 13.700 2.817 1.00 23.13 N ATOM 493 CZ ARG A 31 -4.649 14.331 3.245 1.00 40.31 C ATOM 494 NH1 ARG A 31 -3.453 13.759 3.133 1.00 20.31 N ATOM 495 NH2 ARG A 31 -4.749 15.536 3.774 1.00 55.10 N ATOM 0 H ARG A 31 -5.635 9.060 3.616 1.00 52.11 H new ATOM 0 HA ARG A 31 -6.449 10.016 6.216 1.00 55.33 H new ATOM 0 HB2 ARG A 31 -6.855 12.088 5.001 1.00 43.55 H new ATOM 0 HB3 ARG A 31 -5.286 11.427 4.588 1.00 43.55 H new ATOM 0 HG2 ARG A 31 -6.638 10.383 2.510 1.00 63.41 H new ATOM 0 HG3 ARG A 31 -7.754 11.689 2.859 1.00 63.41 H new ATOM 0 HD2 ARG A 31 -4.791 11.952 2.149 1.00 4.14 H new ATOM 0 HD3 ARG A 31 -6.154 12.450 1.167 1.00 4.14 H new ATOM 0 HE ARG A 31 -6.648 14.188 2.932 1.00 23.13 H new ATOM 0 HH11 ARG A 31 -3.368 12.831 2.719 1.00 20.31 H new ATOM 0 HH12 ARG A 31 -2.621 14.249 3.461 1.00 20.31 H new ATOM 0 HH21 ARG A 31 -5.662 15.983 3.856 1.00 55.10 H new ATOM 0 HH22 ARG A 31 -3.913 16.021 4.101 1.00 55.10 H new ATOM 509 N GLU A 32 -8.717 8.887 4.148 1.00 72.41 N ATOM 510 CA GLU A 32 -10.098 8.374 4.057 1.00 52.22 C ATOM 511 C GLU A 32 -10.327 7.221 5.058 1.00 32.11 C ATOM 512 O GLU A 32 -11.434 7.050 5.584 1.00 71.32 O ATOM 513 CB GLU A 32 -10.376 7.873 2.617 1.00 24.25 C ATOM 514 CG GLU A 32 -10.466 8.988 1.561 1.00 42.31 C ATOM 515 CD GLU A 32 -11.637 9.960 1.800 1.00 31.11 C ATOM 516 OE1 GLU A 32 -12.807 9.513 1.769 1.00 11.13 O ATOM 517 OE2 GLU A 32 -11.405 11.172 1.995 1.00 64.51 O ATOM 0 H GLU A 32 -8.129 8.601 3.365 1.00 72.41 H new ATOM 0 HA GLU A 32 -10.782 9.186 4.303 1.00 52.22 H new ATOM 0 HB2 GLU A 32 -9.586 7.179 2.328 1.00 24.25 H new ATOM 0 HB3 GLU A 32 -11.310 7.312 2.615 1.00 24.25 H new ATOM 0 HG2 GLU A 32 -9.532 9.550 1.555 1.00 42.31 H new ATOM 0 HG3 GLU A 32 -10.573 8.537 0.574 1.00 42.31 H new ATOM 524 N VAL A 33 -9.268 6.425 5.284 1.00 65.10 N ATOM 525 CA VAL A 33 -9.277 5.309 6.231 1.00 11.43 C ATOM 526 C VAL A 33 -9.313 5.852 7.662 1.00 65.23 C ATOM 527 O VAL A 33 -10.004 5.304 8.485 1.00 0.40 O ATOM 528 CB VAL A 33 -8.033 4.353 6.026 1.00 34.14 C ATOM 529 CG1 VAL A 33 -7.754 3.483 7.272 1.00 11.44 C ATOM 530 CG2 VAL A 33 -8.218 3.444 4.780 1.00 64.14 C ATOM 0 H VAL A 33 -8.375 6.544 4.807 1.00 65.10 H new ATOM 0 HA VAL A 33 -10.171 4.713 6.047 1.00 11.43 H new ATOM 0 HB VAL A 33 -7.171 5.000 5.867 1.00 34.14 H new ATOM 0 HG11 VAL A 33 -6.892 2.844 7.084 1.00 11.44 H new ATOM 0 HG12 VAL A 33 -7.548 4.127 8.127 1.00 11.44 H new ATOM 0 HG13 VAL A 33 -8.625 2.864 7.486 1.00 11.44 H new ATOM 0 HG21 VAL A 33 -7.346 2.799 4.667 1.00 64.14 H new ATOM 0 HG22 VAL A 33 -9.109 2.830 4.907 1.00 64.14 H new ATOM 0 HG23 VAL A 33 -8.328 4.064 3.890 1.00 64.14 H new ATOM 540 N GLN A 34 -8.577 6.948 7.930 1.00 41.05 N ATOM 541 CA GLN A 34 -8.516 7.587 9.266 1.00 23.44 C ATOM 542 C GLN A 34 -9.887 8.163 9.677 1.00 63.13 C ATOM 543 O GLN A 34 -10.130 8.383 10.868 1.00 11.42 O ATOM 544 CB GLN A 34 -7.419 8.693 9.296 1.00 62.55 C ATOM 545 CG GLN A 34 -5.965 8.168 9.272 1.00 55.01 C ATOM 546 CD GLN A 34 -5.573 7.408 10.548 1.00 22.31 C ATOM 547 OE1 GLN A 34 -5.112 8.009 11.515 1.00 41.04 O ATOM 548 NE2 GLN A 34 -5.748 6.097 10.559 1.00 24.11 N ATOM 0 H GLN A 34 -8.006 7.418 7.228 1.00 41.05 H new ATOM 0 HA GLN A 34 -8.250 6.818 9.992 1.00 23.44 H new ATOM 0 HB2 GLN A 34 -7.566 9.353 8.441 1.00 62.55 H new ATOM 0 HB3 GLN A 34 -7.557 9.297 10.193 1.00 62.55 H new ATOM 0 HG2 GLN A 34 -5.837 7.511 8.412 1.00 55.01 H new ATOM 0 HG3 GLN A 34 -5.285 9.008 9.134 1.00 55.01 H new ATOM 0 HE21 GLN A 34 -6.133 5.627 9.740 1.00 24.11 H new ATOM 0 HE22 GLN A 34 -5.498 5.556 11.387 1.00 24.11 H new ATOM 557 N LYS A 35 -10.770 8.411 8.689 1.00 14.11 N ATOM 558 CA LYS A 35 -12.159 8.832 8.948 1.00 41.51 C ATOM 559 C LYS A 35 -12.959 7.657 9.536 1.00 52.12 C ATOM 560 O LYS A 35 -13.701 7.815 10.508 1.00 65.01 O ATOM 561 CB LYS A 35 -12.844 9.331 7.643 1.00 31.22 C ATOM 562 CG LYS A 35 -12.080 10.447 6.901 1.00 64.32 C ATOM 563 CD LYS A 35 -11.843 11.704 7.773 1.00 55.45 C ATOM 564 CE LYS A 35 -11.008 12.769 7.053 1.00 4.33 C ATOM 565 NZ LYS A 35 -10.732 13.944 7.919 1.00 3.21 N ATOM 0 H LYS A 35 -10.542 8.326 7.698 1.00 14.11 H new ATOM 0 HA LYS A 35 -12.138 9.655 9.662 1.00 41.51 H new ATOM 0 HB2 LYS A 35 -12.970 8.484 6.968 1.00 31.22 H new ATOM 0 HB3 LYS A 35 -13.842 9.694 7.888 1.00 31.22 H new ATOM 0 HG2 LYS A 35 -11.119 10.059 6.564 1.00 64.32 H new ATOM 0 HG3 LYS A 35 -12.639 10.731 6.009 1.00 64.32 H new ATOM 0 HD2 LYS A 35 -12.804 12.132 8.057 1.00 55.45 H new ATOM 0 HD3 LYS A 35 -11.339 11.413 8.694 1.00 55.45 H new ATOM 0 HE2 LYS A 35 -10.065 12.330 6.727 1.00 4.33 H new ATOM 0 HE3 LYS A 35 -11.534 13.096 6.156 1.00 4.33 H new ATOM 0 HZ1 LYS A 35 -10.165 14.638 7.392 1.00 3.21 H new ATOM 0 HZ2 LYS A 35 -11.630 14.380 8.210 1.00 3.21 H new ATOM 0 HZ3 LYS A 35 -10.207 13.638 8.763 1.00 3.21 H new ATOM 579 N GLN A 36 -12.753 6.478 8.931 1.00 10.13 N ATOM 580 CA GLN A 36 -13.520 5.247 9.216 1.00 12.53 C ATOM 581 C GLN A 36 -12.857 4.411 10.335 1.00 51.42 C ATOM 582 O GLN A 36 -13.510 3.590 10.985 1.00 2.02 O ATOM 583 CB GLN A 36 -13.606 4.412 7.909 1.00 50.30 C ATOM 584 CG GLN A 36 -14.113 5.202 6.683 1.00 71.31 C ATOM 585 CD GLN A 36 -14.028 4.426 5.364 1.00 34.40 C ATOM 586 OE1 GLN A 36 -13.166 3.565 5.183 1.00 51.03 O ATOM 587 NE2 GLN A 36 -14.913 4.735 4.427 1.00 22.24 N ATOM 0 H GLN A 36 -12.037 6.346 8.217 1.00 10.13 H new ATOM 0 HA GLN A 36 -14.516 5.521 9.563 1.00 12.53 H new ATOM 0 HB2 GLN A 36 -12.619 4.009 7.684 1.00 50.30 H new ATOM 0 HB3 GLN A 36 -14.267 3.562 8.078 1.00 50.30 H new ATOM 0 HG2 GLN A 36 -15.149 5.494 6.855 1.00 71.31 H new ATOM 0 HG3 GLN A 36 -13.534 6.121 6.590 1.00 71.31 H new ATOM 0 HE21 GLN A 36 -15.615 5.453 4.606 1.00 22.24 H new ATOM 0 HE22 GLN A 36 -14.892 4.255 3.527 1.00 22.24 H new ATOM 596 N TYR A 37 -11.549 4.629 10.524 1.00 4.44 N ATOM 597 CA TYR A 37 -10.682 3.880 11.454 1.00 72.21 C ATOM 598 C TYR A 37 -9.696 4.889 12.112 1.00 60.32 C ATOM 599 O TYR A 37 -8.494 4.881 11.800 1.00 50.42 O ATOM 600 CB TYR A 37 -9.873 2.762 10.707 1.00 42.40 C ATOM 601 CG TYR A 37 -10.681 1.776 9.828 1.00 61.14 C ATOM 602 CD1 TYR A 37 -11.253 0.620 10.365 1.00 15.32 C ATOM 603 CD2 TYR A 37 -10.858 2.002 8.455 1.00 43.24 C ATOM 604 CE1 TYR A 37 -11.959 -0.269 9.569 1.00 14.45 C ATOM 605 CE2 TYR A 37 -11.562 1.120 7.659 1.00 13.33 C ATOM 606 CZ TYR A 37 -12.115 -0.011 8.219 1.00 23.52 C ATOM 607 OH TYR A 37 -12.828 -0.893 7.434 1.00 53.11 O ATOM 0 H TYR A 37 -11.044 5.356 10.018 1.00 4.44 H new ATOM 0 HA TYR A 37 -11.300 3.392 12.207 1.00 72.21 H new ATOM 0 HB2 TYR A 37 -9.129 3.247 10.075 1.00 42.40 H new ATOM 0 HB3 TYR A 37 -9.329 2.183 11.453 1.00 42.40 H new ATOM 0 HD1 TYR A 37 -11.143 0.415 11.420 1.00 15.32 H new ATOM 0 HD2 TYR A 37 -10.433 2.889 8.009 1.00 43.24 H new ATOM 0 HE1 TYR A 37 -12.386 -1.161 10.002 1.00 14.45 H new ATOM 0 HE2 TYR A 37 -11.678 1.316 6.603 1.00 13.33 H new ATOM 0 HH TYR A 37 -12.846 -0.567 6.510 1.00 53.11 H new ATOM 617 N PRO A 38 -10.187 5.816 13.005 1.00 24.44 N ATOM 618 CA PRO A 38 -9.308 6.818 13.677 1.00 62.41 C ATOM 619 C PRO A 38 -8.415 6.175 14.755 1.00 31.42 C ATOM 620 O PRO A 38 -7.370 6.717 15.126 1.00 33.21 O ATOM 621 CB PRO A 38 -10.326 7.816 14.287 1.00 22.24 C ATOM 622 CG PRO A 38 -11.553 6.987 14.554 1.00 2.55 C ATOM 623 CD PRO A 38 -11.617 5.974 13.423 1.00 30.45 C ATOM 0 HA PRO A 38 -8.601 7.290 12.995 1.00 62.41 H new ATOM 0 HB2 PRO A 38 -9.942 8.264 15.204 1.00 22.24 H new ATOM 0 HB3 PRO A 38 -10.541 8.634 13.599 1.00 22.24 H new ATOM 0 HG2 PRO A 38 -11.487 6.490 15.522 1.00 2.55 H new ATOM 0 HG3 PRO A 38 -12.449 7.608 14.575 1.00 2.55 H new ATOM 0 HD2 PRO A 38 -12.043 5.028 13.757 1.00 30.45 H new ATOM 0 HD3 PRO A 38 -12.237 6.331 12.601 1.00 30.45 H new ATOM 631 N ASN A 39 -8.852 5.004 15.236 1.00 70.23 N ATOM 632 CA ASN A 39 -8.145 4.218 16.257 1.00 51.25 C ATOM 633 C ASN A 39 -6.892 3.542 15.675 1.00 23.33 C ATOM 634 O ASN A 39 -6.019 3.124 16.426 1.00 61.01 O ATOM 635 CB ASN A 39 -9.107 3.150 16.839 1.00 63.40 C ATOM 636 CG ASN A 39 -10.406 3.735 17.418 1.00 71.54 C ATOM 637 OD1 ASN A 39 -11.478 3.162 17.241 1.00 74.14 O ATOM 638 ND2 ASN A 39 -10.317 4.841 18.149 1.00 74.32 N ATOM 0 H ASN A 39 -9.720 4.569 14.922 1.00 70.23 H new ATOM 0 HA ASN A 39 -7.819 4.892 17.049 1.00 51.25 H new ATOM 0 HB2 ASN A 39 -9.359 2.436 16.055 1.00 63.40 H new ATOM 0 HB3 ASN A 39 -8.589 2.595 17.621 1.00 63.40 H new ATOM 0 HD21 ASN A 39 -11.153 5.236 18.580 1.00 74.32 H new ATOM 0 HD22 ASN A 39 -9.413 5.295 18.279 1.00 74.32 H new ATOM 645 N ALA A 40 -6.823 3.434 14.331 1.00 12.10 N ATOM 646 CA ALA A 40 -5.716 2.762 13.631 1.00 41.00 C ATOM 647 C ALA A 40 -4.501 3.698 13.447 1.00 24.44 C ATOM 648 O ALA A 40 -4.652 4.876 13.107 1.00 53.15 O ATOM 649 CB ALA A 40 -6.202 2.232 12.277 1.00 62.32 C ATOM 0 H ALA A 40 -7.534 3.811 13.704 1.00 12.10 H new ATOM 0 HA ALA A 40 -5.386 1.925 14.246 1.00 41.00 H new ATOM 0 HB1 ALA A 40 -5.378 1.736 11.764 1.00 62.32 H new ATOM 0 HB2 ALA A 40 -7.013 1.521 12.434 1.00 62.32 H new ATOM 0 HB3 ALA A 40 -6.561 3.062 11.669 1.00 62.32 H new ATOM 655 N THR A 41 -3.303 3.146 13.698 1.00 64.43 N ATOM 656 CA THR A 41 -2.013 3.781 13.410 1.00 64.20 C ATOM 657 C THR A 41 -1.451 3.164 12.113 1.00 15.21 C ATOM 658 O THR A 41 -1.170 1.961 12.063 1.00 13.14 O ATOM 659 CB THR A 41 -1.001 3.542 14.582 1.00 24.22 C ATOM 660 OG1 THR A 41 -1.565 4.014 15.813 1.00 63.35 O ATOM 661 CG2 THR A 41 0.356 4.235 14.349 1.00 5.12 C ATOM 0 H THR A 41 -3.206 2.222 14.118 1.00 64.43 H new ATOM 0 HA THR A 41 -2.155 4.856 13.297 1.00 64.20 H new ATOM 0 HB THR A 41 -0.818 2.469 14.629 1.00 24.22 H new ATOM 0 HG1 THR A 41 -0.930 3.861 16.544 1.00 63.35 H new ATOM 0 HG21 THR A 41 1.016 4.035 15.193 1.00 5.12 H new ATOM 0 HG22 THR A 41 0.809 3.851 13.435 1.00 5.12 H new ATOM 0 HG23 THR A 41 0.204 5.310 14.254 1.00 5.12 H new ATOM 669 N ILE A 42 -1.308 3.990 11.073 1.00 13.51 N ATOM 670 CA ILE A 42 -0.879 3.547 9.737 1.00 63.42 C ATOM 671 C ILE A 42 0.536 4.092 9.447 1.00 21.22 C ATOM 672 O ILE A 42 0.769 5.300 9.515 1.00 33.05 O ATOM 673 CB ILE A 42 -1.905 4.041 8.646 1.00 72.54 C ATOM 674 CG1 ILE A 42 -3.367 3.669 9.056 1.00 33.01 C ATOM 675 CG2 ILE A 42 -1.576 3.454 7.257 1.00 25.31 C ATOM 676 CD1 ILE A 42 -4.440 4.175 8.109 1.00 3.11 C ATOM 0 H ILE A 42 -1.487 4.992 11.131 1.00 13.51 H new ATOM 0 HA ILE A 42 -0.850 2.458 9.705 1.00 63.42 H new ATOM 0 HB ILE A 42 -1.822 5.126 8.583 1.00 72.54 H new ATOM 0 HG12 ILE A 42 -3.445 2.584 9.126 1.00 33.01 H new ATOM 0 HG13 ILE A 42 -3.563 4.067 10.052 1.00 33.01 H new ATOM 0 HG21 ILE A 42 -2.302 3.814 6.528 1.00 25.31 H new ATOM 0 HG22 ILE A 42 -0.576 3.767 6.958 1.00 25.31 H new ATOM 0 HG23 ILE A 42 -1.617 2.366 7.303 1.00 25.31 H new ATOM 0 HD11 ILE A 42 -5.421 3.869 8.474 1.00 3.11 H new ATOM 0 HD12 ILE A 42 -4.395 5.263 8.056 1.00 3.11 H new ATOM 0 HD13 ILE A 42 -4.276 3.757 7.116 1.00 3.11 H new ATOM 688 N THR A 43 1.478 3.179 9.155 1.00 53.04 N ATOM 689 CA THR A 43 2.900 3.497 8.915 1.00 62.22 C ATOM 690 C THR A 43 3.387 2.792 7.626 1.00 24.33 C ATOM 691 O THR A 43 3.097 1.603 7.415 1.00 1.34 O ATOM 692 CB THR A 43 3.771 3.054 10.145 1.00 14.44 C ATOM 693 OG1 THR A 43 3.295 3.707 11.336 1.00 43.43 O ATOM 694 CG2 THR A 43 5.266 3.380 9.963 1.00 30.30 C ATOM 0 H THR A 43 1.272 2.183 9.077 1.00 53.04 H new ATOM 0 HA THR A 43 3.006 4.574 8.788 1.00 62.22 H new ATOM 0 HB THR A 43 3.674 1.972 10.229 1.00 14.44 H new ATOM 0 HG1 THR A 43 3.839 3.428 12.102 1.00 43.43 H new ATOM 0 HG21 THR A 43 5.820 3.052 10.843 1.00 30.30 H new ATOM 0 HG22 THR A 43 5.646 2.864 9.082 1.00 30.30 H new ATOM 0 HG23 THR A 43 5.391 4.455 9.836 1.00 30.30 H new ATOM 702 N ARG A 44 4.067 3.546 6.736 1.00 32.32 N ATOM 703 CA ARG A 44 4.630 3.017 5.466 1.00 31.31 C ATOM 704 C ARG A 44 6.123 3.360 5.353 1.00 60.42 C ATOM 705 O ARG A 44 6.596 4.334 5.950 1.00 34.42 O ATOM 706 CB ARG A 44 3.870 3.570 4.207 1.00 34.32 C ATOM 707 CG ARG A 44 2.563 2.829 3.831 1.00 63.04 C ATOM 708 CD ARG A 44 1.400 3.055 4.812 1.00 31.34 C ATOM 709 NE ARG A 44 0.228 2.213 4.485 1.00 44.44 N ATOM 710 CZ ARG A 44 -0.181 1.150 5.189 1.00 72.45 C ATOM 711 NH1 ARG A 44 0.480 0.759 6.281 1.00 22.40 N ATOM 712 NH2 ARG A 44 -1.259 0.488 4.801 1.00 55.44 N ATOM 0 H ARG A 44 4.244 4.541 6.874 1.00 32.32 H new ATOM 0 HA ARG A 44 4.503 1.935 5.490 1.00 31.31 H new ATOM 0 HB2 ARG A 44 3.633 4.620 4.381 1.00 34.32 H new ATOM 0 HB3 ARG A 44 4.546 3.533 3.352 1.00 34.32 H new ATOM 0 HG2 ARG A 44 2.251 3.149 2.837 1.00 63.04 H new ATOM 0 HG3 ARG A 44 2.770 1.760 3.771 1.00 63.04 H new ATOM 0 HD2 ARG A 44 1.733 2.835 5.826 1.00 31.34 H new ATOM 0 HD3 ARG A 44 1.109 4.105 4.793 1.00 31.34 H new ATOM 0 HE ARG A 44 -0.312 2.462 3.656 1.00 44.44 H new ATOM 0 HH11 ARG A 44 1.307 1.272 6.588 1.00 22.40 H new ATOM 0 HH12 ARG A 44 0.158 -0.052 6.809 1.00 22.40 H new ATOM 0 HH21 ARG A 44 -1.771 0.789 3.972 1.00 55.44 H new ATOM 0 HH22 ARG A 44 -1.578 -0.323 5.331 1.00 55.44 H new ATOM 726 N THR A 45 6.844 2.538 4.572 1.00 53.22 N ATOM 727 CA THR A 45 8.263 2.745 4.230 1.00 2.41 C ATOM 728 C THR A 45 8.525 2.086 2.863 1.00 33.33 C ATOM 729 O THR A 45 8.321 0.886 2.713 1.00 62.20 O ATOM 730 CB THR A 45 9.218 2.133 5.317 1.00 45.14 C ATOM 731 OG1 THR A 45 8.947 2.728 6.595 1.00 60.55 O ATOM 732 CG2 THR A 45 10.708 2.326 4.969 1.00 3.42 C ATOM 0 H THR A 45 6.451 1.696 4.153 1.00 53.22 H new ATOM 0 HA THR A 45 8.469 3.815 4.190 1.00 2.41 H new ATOM 0 HB THR A 45 9.022 1.061 5.348 1.00 45.14 H new ATOM 0 HG1 THR A 45 9.544 2.341 7.269 1.00 60.55 H new ATOM 0 HG21 THR A 45 11.325 1.885 5.752 1.00 3.42 H new ATOM 0 HG22 THR A 45 10.926 1.839 4.018 1.00 3.42 H new ATOM 0 HG23 THR A 45 10.928 3.391 4.890 1.00 3.42 H new ATOM 740 N LEU A 46 8.923 2.872 1.851 1.00 11.04 N ATOM 741 CA LEU A 46 9.260 2.336 0.510 1.00 24.01 C ATOM 742 C LEU A 46 10.779 2.365 0.314 1.00 64.03 C ATOM 743 O LEU A 46 11.454 3.277 0.795 1.00 55.50 O ATOM 744 CB LEU A 46 8.533 3.116 -0.628 1.00 24.10 C ATOM 745 CG LEU A 46 6.970 2.941 -0.710 1.00 14.14 C ATOM 746 CD1 LEU A 46 6.235 3.708 0.404 1.00 74.35 C ATOM 747 CD2 LEU A 46 6.434 3.337 -2.098 1.00 20.34 C ATOM 0 H LEU A 46 9.022 3.884 1.930 1.00 11.04 H new ATOM 0 HA LEU A 46 8.911 1.305 0.455 1.00 24.01 H new ATOM 0 HB2 LEU A 46 8.752 4.177 -0.509 1.00 24.10 H new ATOM 0 HB3 LEU A 46 8.962 2.807 -1.581 1.00 24.10 H new ATOM 0 HG LEU A 46 6.766 1.881 -0.556 1.00 14.14 H new ATOM 0 HD11 LEU A 46 5.161 3.555 0.303 1.00 74.35 H new ATOM 0 HD12 LEU A 46 6.564 3.341 1.376 1.00 74.35 H new ATOM 0 HD13 LEU A 46 6.459 4.772 0.322 1.00 74.35 H new ATOM 0 HD21 LEU A 46 5.352 3.205 -2.122 1.00 20.34 H new ATOM 0 HD22 LEU A 46 6.676 4.381 -2.297 1.00 20.34 H new ATOM 0 HD23 LEU A 46 6.893 2.706 -2.859 1.00 20.34 H new ATOM 759 N THR A 47 11.309 1.333 -0.367 1.00 50.53 N ATOM 760 CA THR A 47 12.746 1.197 -0.670 1.00 61.05 C ATOM 761 C THR A 47 12.907 0.751 -2.129 1.00 60.15 C ATOM 762 O THR A 47 12.310 -0.236 -2.527 1.00 33.54 O ATOM 763 CB THR A 47 13.417 0.148 0.277 1.00 74.32 C ATOM 764 OG1 THR A 47 13.163 0.500 1.644 1.00 2.24 O ATOM 765 CG2 THR A 47 14.936 0.043 0.053 1.00 73.43 C ATOM 0 H THR A 47 10.746 0.562 -0.726 1.00 50.53 H new ATOM 0 HA THR A 47 13.234 2.159 -0.515 1.00 61.05 H new ATOM 0 HB THR A 47 12.980 -0.823 0.045 1.00 74.32 H new ATOM 0 HG1 THR A 47 13.583 -0.159 2.235 1.00 2.24 H new ATOM 0 HG21 THR A 47 15.354 -0.698 0.734 1.00 73.43 H new ATOM 0 HG22 THR A 47 15.132 -0.259 -0.976 1.00 73.43 H new ATOM 0 HG23 THR A 47 15.399 1.011 0.242 1.00 73.43 H new ATOM 773 N ARG A 48 13.701 1.480 -2.923 1.00 1.12 N ATOM 774 CA ARG A 48 13.897 1.165 -4.353 1.00 54.35 C ATOM 775 C ARG A 48 15.089 0.199 -4.516 1.00 54.21 C ATOM 776 O ARG A 48 16.249 0.595 -4.338 1.00 44.30 O ATOM 777 CB ARG A 48 14.105 2.453 -5.199 1.00 5.21 C ATOM 778 CG ARG A 48 12.958 3.506 -5.132 1.00 23.33 C ATOM 779 CD ARG A 48 13.101 4.478 -3.953 1.00 63.34 C ATOM 780 NE ARG A 48 14.363 5.236 -4.023 1.00 15.31 N ATOM 781 CZ ARG A 48 14.488 6.514 -4.427 1.00 53.12 C ATOM 782 NH1 ARG A 48 13.427 7.227 -4.804 1.00 63.43 N ATOM 783 NH2 ARG A 48 15.684 7.065 -4.469 1.00 40.34 N ATOM 0 H ARG A 48 14.222 2.296 -2.602 1.00 1.12 H new ATOM 0 HA ARG A 48 12.994 0.680 -4.724 1.00 54.35 H new ATOM 0 HB2 ARG A 48 15.030 2.931 -4.876 1.00 5.21 H new ATOM 0 HB3 ARG A 48 14.244 2.162 -6.240 1.00 5.21 H new ATOM 0 HG2 ARG A 48 12.939 4.073 -6.063 1.00 23.33 H new ATOM 0 HG3 ARG A 48 12.002 2.988 -5.055 1.00 23.33 H new ATOM 0 HD2 ARG A 48 12.260 5.171 -3.948 1.00 63.34 H new ATOM 0 HD3 ARG A 48 13.061 3.922 -3.016 1.00 63.34 H new ATOM 0 HE ARG A 48 15.215 4.751 -3.741 1.00 15.31 H new ATOM 0 HH11 ARG A 48 12.498 6.806 -4.790 1.00 63.43 H new ATOM 0 HH12 ARG A 48 13.544 8.194 -5.107 1.00 63.43 H new ATOM 0 HH21 ARG A 48 16.505 6.524 -4.197 1.00 40.34 H new ATOM 0 HH22 ARG A 48 15.789 8.033 -4.774 1.00 40.34 H new ATOM 797 N ASP A 49 14.780 -1.076 -4.809 1.00 25.42 N ATOM 798 CA ASP A 49 15.780 -2.156 -5.004 1.00 1.30 C ATOM 799 C ASP A 49 15.868 -2.539 -6.500 1.00 61.44 C ATOM 800 O ASP A 49 15.314 -3.566 -6.926 1.00 54.20 O ATOM 801 CB ASP A 49 15.413 -3.404 -4.145 1.00 23.24 C ATOM 802 CG ASP A 49 15.434 -3.131 -2.633 1.00 75.31 C ATOM 803 OD1 ASP A 49 14.408 -2.668 -2.081 1.00 71.20 O ATOM 804 OD2 ASP A 49 16.474 -3.393 -1.986 1.00 53.43 O ATOM 0 H ASP A 49 13.818 -1.396 -4.920 1.00 25.42 H new ATOM 0 HA ASP A 49 16.754 -1.789 -4.679 1.00 1.30 H new ATOM 0 HB2 ASP A 49 14.421 -3.753 -4.430 1.00 23.24 H new ATOM 0 HB3 ASP A 49 16.111 -4.210 -4.371 1.00 23.24 H new ATOM 809 N ASP A 50 16.509 -1.655 -7.292 1.00 4.45 N ATOM 810 CA ASP A 50 16.867 -1.897 -8.718 1.00 1.34 C ATOM 811 C ASP A 50 15.638 -2.262 -9.579 1.00 24.12 C ATOM 812 O ASP A 50 15.508 -3.390 -10.067 1.00 72.03 O ATOM 813 CB ASP A 50 17.995 -2.972 -8.838 1.00 31.31 C ATOM 814 CG ASP A 50 19.320 -2.536 -8.185 1.00 62.34 C ATOM 815 OD1 ASP A 50 19.516 -2.766 -6.969 1.00 32.30 O ATOM 816 OD2 ASP A 50 20.169 -1.938 -8.876 1.00 1.44 O ATOM 0 H ASP A 50 16.800 -0.736 -6.960 1.00 4.45 H new ATOM 0 HA ASP A 50 17.254 -0.959 -9.115 1.00 1.34 H new ATOM 0 HB2 ASP A 50 17.656 -3.898 -8.374 1.00 31.31 H new ATOM 0 HB3 ASP A 50 18.171 -3.189 -9.892 1.00 31.31 H new ATOM 821 N GLY A 51 14.713 -1.303 -9.721 1.00 64.31 N ATOM 822 CA GLY A 51 13.477 -1.500 -10.493 1.00 40.12 C ATOM 823 C GLY A 51 12.308 -1.981 -9.636 1.00 71.02 C ATOM 824 O GLY A 51 11.141 -1.684 -9.945 1.00 0.32 O ATOM 0 H GLY A 51 14.799 -0.375 -9.307 1.00 64.31 H new ATOM 0 HA2 GLY A 51 13.204 -0.562 -10.977 1.00 40.12 H new ATOM 0 HA3 GLY A 51 13.662 -2.225 -11.285 1.00 40.12 H new ATOM 828 N THR A 52 12.621 -2.728 -8.556 1.00 72.12 N ATOM 829 CA THR A 52 11.614 -3.336 -7.670 1.00 65.53 C ATOM 830 C THR A 52 11.568 -2.600 -6.315 1.00 61.24 C ATOM 831 O THR A 52 12.523 -2.663 -5.546 1.00 55.43 O ATOM 832 CB THR A 52 11.939 -4.848 -7.437 1.00 75.44 C ATOM 833 OG1 THR A 52 12.210 -5.475 -8.693 1.00 3.12 O ATOM 834 CG2 THR A 52 10.789 -5.595 -6.735 1.00 72.32 C ATOM 0 H THR A 52 13.582 -2.925 -8.276 1.00 72.12 H new ATOM 0 HA THR A 52 10.640 -3.249 -8.151 1.00 65.53 H new ATOM 0 HB THR A 52 12.811 -4.897 -6.785 1.00 75.44 H new ATOM 0 HG1 THR A 52 12.416 -6.422 -8.548 1.00 3.12 H new ATOM 0 HG21 THR A 52 11.065 -6.640 -6.597 1.00 72.32 H new ATOM 0 HG22 THR A 52 10.598 -5.139 -5.764 1.00 72.32 H new ATOM 0 HG23 THR A 52 9.889 -5.535 -7.347 1.00 72.32 H new ATOM 842 N VAL A 53 10.448 -1.921 -6.036 1.00 1.12 N ATOM 843 CA VAL A 53 10.222 -1.214 -4.770 1.00 4.52 C ATOM 844 C VAL A 53 9.685 -2.189 -3.711 1.00 5.43 C ATOM 845 O VAL A 53 8.661 -2.842 -3.929 1.00 12.43 O ATOM 846 CB VAL A 53 9.200 -0.029 -4.960 1.00 1.21 C ATOM 847 CG1 VAL A 53 8.975 0.756 -3.640 1.00 62.53 C ATOM 848 CG2 VAL A 53 9.669 0.913 -6.085 1.00 44.23 C ATOM 0 H VAL A 53 9.667 -1.847 -6.688 1.00 1.12 H new ATOM 0 HA VAL A 53 11.175 -0.802 -4.438 1.00 4.52 H new ATOM 0 HB VAL A 53 8.242 -0.463 -5.245 1.00 1.21 H new ATOM 0 HG11 VAL A 53 8.264 1.564 -3.814 1.00 62.53 H new ATOM 0 HG12 VAL A 53 8.580 0.083 -2.879 1.00 62.53 H new ATOM 0 HG13 VAL A 53 9.922 1.173 -3.299 1.00 62.53 H new ATOM 0 HG21 VAL A 53 8.952 1.725 -6.202 1.00 44.23 H new ATOM 0 HG22 VAL A 53 10.645 1.325 -5.831 1.00 44.23 H new ATOM 0 HG23 VAL A 53 9.742 0.356 -7.019 1.00 44.23 H new ATOM 858 N GLU A 54 10.388 -2.293 -2.578 1.00 11.52 N ATOM 859 CA GLU A 54 9.892 -3.001 -1.406 1.00 41.44 C ATOM 860 C GLU A 54 9.032 -2.022 -0.586 1.00 43.31 C ATOM 861 O GLU A 54 9.544 -1.077 0.027 1.00 61.14 O ATOM 862 CB GLU A 54 11.053 -3.568 -0.552 1.00 24.31 C ATOM 863 CG GLU A 54 10.577 -4.393 0.664 1.00 51.43 C ATOM 864 CD GLU A 54 11.723 -4.981 1.501 1.00 20.41 C ATOM 865 OE1 GLU A 54 12.428 -5.891 1.011 1.00 34.14 O ATOM 866 OE2 GLU A 54 11.916 -4.551 2.654 1.00 24.23 O ATOM 0 H GLU A 54 11.315 -1.887 -2.454 1.00 11.52 H new ATOM 0 HA GLU A 54 9.292 -3.854 -1.721 1.00 41.44 H new ATOM 0 HB2 GLU A 54 11.684 -4.195 -1.182 1.00 24.31 H new ATOM 0 HB3 GLU A 54 11.672 -2.743 -0.201 1.00 24.31 H new ATOM 0 HG2 GLU A 54 9.961 -3.760 1.302 1.00 51.43 H new ATOM 0 HG3 GLU A 54 9.941 -5.206 0.313 1.00 51.43 H new ATOM 873 N LEU A 55 7.722 -2.241 -0.636 1.00 30.44 N ATOM 874 CA LEU A 55 6.722 -1.473 0.102 1.00 75.15 C ATOM 875 C LEU A 55 6.453 -2.164 1.439 1.00 31.54 C ATOM 876 O LEU A 55 6.143 -3.358 1.478 1.00 21.50 O ATOM 877 CB LEU A 55 5.419 -1.389 -0.735 1.00 12.34 C ATOM 878 CG LEU A 55 4.132 -0.868 -0.018 1.00 10.45 C ATOM 879 CD1 LEU A 55 4.307 0.569 0.512 1.00 51.24 C ATOM 880 CD2 LEU A 55 2.906 -0.984 -0.949 1.00 23.43 C ATOM 0 H LEU A 55 7.313 -2.980 -1.208 1.00 30.44 H new ATOM 0 HA LEU A 55 7.085 -0.462 0.288 1.00 75.15 H new ATOM 0 HB2 LEU A 55 5.611 -0.743 -1.592 1.00 12.34 H new ATOM 0 HB3 LEU A 55 5.206 -2.384 -1.127 1.00 12.34 H new ATOM 0 HG LEU A 55 3.959 -1.502 0.852 1.00 10.45 H new ATOM 0 HD11 LEU A 55 3.388 0.890 1.003 1.00 51.24 H new ATOM 0 HD12 LEU A 55 5.129 0.595 1.227 1.00 51.24 H new ATOM 0 HD13 LEU A 55 4.528 1.239 -0.319 1.00 51.24 H new ATOM 0 HD21 LEU A 55 2.020 -0.616 -0.431 1.00 23.43 H new ATOM 0 HD22 LEU A 55 3.074 -0.390 -1.848 1.00 23.43 H new ATOM 0 HD23 LEU A 55 2.757 -2.028 -1.226 1.00 23.43 H new ATOM 892 N ARG A 56 6.598 -1.405 2.525 1.00 21.03 N ATOM 893 CA ARG A 56 6.301 -1.873 3.869 1.00 75.41 C ATOM 894 C ARG A 56 4.929 -1.324 4.253 1.00 62.34 C ATOM 895 O ARG A 56 4.782 -0.115 4.477 1.00 1.02 O ATOM 896 CB ARG A 56 7.386 -1.404 4.887 1.00 22.05 C ATOM 897 CG ARG A 56 8.849 -1.733 4.492 1.00 44.53 C ATOM 898 CD ARG A 56 9.074 -3.209 4.118 1.00 71.43 C ATOM 899 NE ARG A 56 8.639 -4.133 5.178 1.00 65.40 N ATOM 900 CZ ARG A 56 9.050 -5.401 5.320 1.00 54.11 C ATOM 901 NH1 ARG A 56 9.948 -5.929 4.489 1.00 33.14 N ATOM 902 NH2 ARG A 56 8.542 -6.141 6.289 1.00 44.02 N ATOM 0 H ARG A 56 6.928 -0.440 2.491 1.00 21.03 H new ATOM 0 HA ARG A 56 6.300 -2.963 3.892 1.00 75.41 H new ATOM 0 HB2 ARG A 56 7.296 -0.326 5.018 1.00 22.05 H new ATOM 0 HB3 ARG A 56 7.176 -1.862 5.854 1.00 22.05 H new ATOM 0 HG2 ARG A 56 9.138 -1.106 3.648 1.00 44.53 H new ATOM 0 HG3 ARG A 56 9.507 -1.474 5.322 1.00 44.53 H new ATOM 0 HD2 ARG A 56 8.532 -3.434 3.200 1.00 71.43 H new ATOM 0 HD3 ARG A 56 10.132 -3.371 3.911 1.00 71.43 H new ATOM 0 HE ARG A 56 7.969 -3.779 5.861 1.00 65.40 H new ATOM 0 HH11 ARG A 56 10.334 -5.367 3.731 1.00 33.14 H new ATOM 0 HH12 ARG A 56 10.250 -6.896 4.611 1.00 33.14 H new ATOM 0 HH21 ARG A 56 7.844 -5.746 6.920 1.00 44.02 H new ATOM 0 HH22 ARG A 56 8.847 -7.107 6.406 1.00 44.02 H new ATOM 916 N ILE A 57 3.921 -2.200 4.256 1.00 0.13 N ATOM 917 CA ILE A 57 2.584 -1.871 4.745 1.00 5.33 C ATOM 918 C ILE A 57 2.511 -2.339 6.199 1.00 24.12 C ATOM 919 O ILE A 57 2.526 -3.544 6.473 1.00 42.42 O ATOM 920 CB ILE A 57 1.467 -2.574 3.880 1.00 51.24 C ATOM 921 CG1 ILE A 57 1.425 -2.013 2.421 1.00 73.13 C ATOM 922 CG2 ILE A 57 0.075 -2.472 4.548 1.00 23.42 C ATOM 923 CD1 ILE A 57 0.979 -0.565 2.291 1.00 51.21 C ATOM 0 H ILE A 57 4.011 -3.158 3.918 1.00 0.13 H new ATOM 0 HA ILE A 57 2.409 -0.798 4.670 1.00 5.33 H new ATOM 0 HB ILE A 57 1.732 -3.630 3.823 1.00 51.24 H new ATOM 0 HG12 ILE A 57 2.419 -2.110 1.984 1.00 73.13 H new ATOM 0 HG13 ILE A 57 0.755 -2.636 1.829 1.00 73.13 H new ATOM 0 HG21 ILE A 57 -0.666 -2.968 3.922 1.00 23.42 H new ATOM 0 HG22 ILE A 57 0.104 -2.953 5.526 1.00 23.42 H new ATOM 0 HG23 ILE A 57 -0.195 -1.423 4.668 1.00 23.42 H new ATOM 0 HD11 ILE A 57 0.985 -0.275 1.240 1.00 51.21 H new ATOM 0 HD12 ILE A 57 -0.029 -0.457 2.691 1.00 51.21 H new ATOM 0 HD13 ILE A 57 1.661 0.077 2.848 1.00 51.21 H new ATOM 935 N LYS A 58 2.463 -1.375 7.119 1.00 22.23 N ATOM 936 CA LYS A 58 2.439 -1.627 8.558 1.00 70.10 C ATOM 937 C LYS A 58 1.209 -0.923 9.143 1.00 14.53 C ATOM 938 O LYS A 58 1.174 0.303 9.219 1.00 13.12 O ATOM 939 CB LYS A 58 3.766 -1.112 9.183 1.00 44.30 C ATOM 940 CG LYS A 58 3.885 -1.320 10.702 1.00 13.12 C ATOM 941 CD LYS A 58 5.294 -0.968 11.243 1.00 44.42 C ATOM 942 CE LYS A 58 5.471 -1.375 12.713 1.00 62.43 C ATOM 943 NZ LYS A 58 6.853 -1.151 13.196 1.00 30.04 N ATOM 0 H LYS A 58 2.439 -0.383 6.881 1.00 22.23 H new ATOM 0 HA LYS A 58 2.364 -2.691 8.781 1.00 70.10 H new ATOM 0 HB2 LYS A 58 4.601 -1.615 8.695 1.00 44.30 H new ATOM 0 HB3 LYS A 58 3.864 -0.048 8.967 1.00 44.30 H new ATOM 0 HG2 LYS A 58 3.141 -0.705 11.209 1.00 13.12 H new ATOM 0 HG3 LYS A 58 3.657 -2.359 10.942 1.00 13.12 H new ATOM 0 HD2 LYS A 58 6.049 -1.468 10.636 1.00 44.42 H new ATOM 0 HD3 LYS A 58 5.462 0.104 11.142 1.00 44.42 H new ATOM 0 HE2 LYS A 58 4.776 -0.807 13.331 1.00 62.43 H new ATOM 0 HE3 LYS A 58 5.214 -2.428 12.830 1.00 62.43 H new ATOM 0 HZ1 LYS A 58 6.924 -1.440 14.192 1.00 30.04 H new ATOM 0 HZ2 LYS A 58 7.516 -1.713 12.625 1.00 30.04 H new ATOM 0 HZ3 LYS A 58 7.091 -0.142 13.111 1.00 30.04 H new ATOM 957 N VAL A 59 0.172 -1.700 9.484 1.00 5.53 N ATOM 958 CA VAL A 59 -1.083 -1.173 10.040 1.00 45.11 C ATOM 959 C VAL A 59 -1.308 -1.759 11.433 1.00 73.01 C ATOM 960 O VAL A 59 -1.568 -2.960 11.569 1.00 11.41 O ATOM 961 CB VAL A 59 -2.328 -1.505 9.129 1.00 63.45 C ATOM 962 CG1 VAL A 59 -3.631 -0.917 9.725 1.00 40.53 C ATOM 963 CG2 VAL A 59 -2.122 -1.012 7.675 1.00 50.54 C ATOM 0 H VAL A 59 0.179 -2.715 9.382 1.00 5.53 H new ATOM 0 HA VAL A 59 -0.989 -0.088 10.090 1.00 45.11 H new ATOM 0 HB VAL A 59 -2.424 -2.590 9.101 1.00 63.45 H new ATOM 0 HG11 VAL A 59 -4.471 -1.162 9.075 1.00 40.53 H new ATOM 0 HG12 VAL A 59 -3.802 -1.341 10.715 1.00 40.53 H new ATOM 0 HG13 VAL A 59 -3.538 0.166 9.805 1.00 40.53 H new ATOM 0 HG21 VAL A 59 -3.001 -1.259 7.079 1.00 50.54 H new ATOM 0 HG22 VAL A 59 -1.975 0.068 7.674 1.00 50.54 H new ATOM 0 HG23 VAL A 59 -1.245 -1.498 7.247 1.00 50.54 H new ATOM 973 N LYS A 60 -1.184 -0.919 12.469 1.00 23.22 N ATOM 974 CA LYS A 60 -1.619 -1.271 13.817 1.00 0.20 C ATOM 975 C LYS A 60 -3.090 -0.857 13.958 1.00 44.21 C ATOM 976 O LYS A 60 -3.405 0.325 13.950 1.00 42.32 O ATOM 977 CB LYS A 60 -0.748 -0.597 14.915 1.00 72.15 C ATOM 978 CG LYS A 60 -1.074 -1.086 16.351 1.00 52.32 C ATOM 979 CD LYS A 60 -0.232 -0.404 17.456 1.00 15.11 C ATOM 980 CE LYS A 60 -0.481 1.109 17.574 1.00 3.23 C ATOM 981 NZ LYS A 60 0.275 1.715 18.707 1.00 63.42 N ATOM 0 H LYS A 60 -0.782 0.015 12.393 1.00 23.22 H new ATOM 0 HA LYS A 60 -1.505 -2.346 13.960 1.00 0.20 H new ATOM 0 HB2 LYS A 60 0.303 -0.791 14.704 1.00 72.15 H new ATOM 0 HB3 LYS A 60 -0.888 0.483 14.867 1.00 72.15 H new ATOM 0 HG2 LYS A 60 -2.130 -0.909 16.553 1.00 52.32 H new ATOM 0 HG3 LYS A 60 -0.916 -2.163 16.401 1.00 52.32 H new ATOM 0 HD2 LYS A 60 -0.453 -0.876 18.413 1.00 15.11 H new ATOM 0 HD3 LYS A 60 0.825 -0.575 17.253 1.00 15.11 H new ATOM 0 HE2 LYS A 60 -0.192 1.597 16.643 1.00 3.23 H new ATOM 0 HE3 LYS A 60 -1.547 1.291 17.711 1.00 3.23 H new ATOM 0 HZ1 LYS A 60 0.078 2.735 18.750 1.00 63.42 H new ATOM 0 HZ2 LYS A 60 -0.019 1.268 19.599 1.00 63.42 H new ATOM 0 HZ3 LYS A 60 1.294 1.565 18.564 1.00 63.42 H new ATOM 995 N ALA A 61 -3.981 -1.840 14.062 1.00 25.34 N ATOM 996 CA ALA A 61 -5.432 -1.616 14.219 1.00 11.43 C ATOM 997 C ALA A 61 -5.959 -2.473 15.372 1.00 63.01 C ATOM 998 O ALA A 61 -5.239 -3.347 15.872 1.00 22.31 O ATOM 999 CB ALA A 61 -6.181 -1.914 12.908 1.00 74.54 C ATOM 0 H ALA A 61 -3.723 -2.827 14.040 1.00 25.34 H new ATOM 0 HA ALA A 61 -5.608 -0.567 14.456 1.00 11.43 H new ATOM 0 HB1 ALA A 61 -7.248 -1.741 13.051 1.00 74.54 H new ATOM 0 HB2 ALA A 61 -5.810 -1.259 12.120 1.00 74.54 H new ATOM 0 HB3 ALA A 61 -6.017 -2.953 12.623 1.00 74.54 H new ATOM 1005 N ASP A 62 -7.213 -2.199 15.794 1.00 42.12 N ATOM 1006 CA ASP A 62 -7.863 -2.879 16.937 1.00 33.22 C ATOM 1007 C ASP A 62 -7.853 -4.407 16.760 1.00 50.04 C ATOM 1008 O ASP A 62 -7.380 -5.146 17.632 1.00 20.24 O ATOM 1009 CB ASP A 62 -9.316 -2.359 17.099 1.00 53.31 C ATOM 1010 CG ASP A 62 -10.059 -2.978 18.298 1.00 33.44 C ATOM 1011 OD1 ASP A 62 -9.695 -2.670 19.448 1.00 4.24 O ATOM 1012 OD2 ASP A 62 -10.999 -3.774 18.100 1.00 60.34 O ATOM 0 H ASP A 62 -7.805 -1.497 15.350 1.00 42.12 H new ATOM 0 HA ASP A 62 -7.297 -2.650 17.840 1.00 33.22 H new ATOM 0 HB2 ASP A 62 -9.295 -1.275 17.215 1.00 53.31 H new ATOM 0 HB3 ASP A 62 -9.874 -2.572 16.187 1.00 53.31 H new ATOM 1017 N THR A 63 -8.357 -4.844 15.604 1.00 21.32 N ATOM 1018 CA THR A 63 -8.404 -6.255 15.207 1.00 5.15 C ATOM 1019 C THR A 63 -7.589 -6.459 13.927 1.00 25.12 C ATOM 1020 O THR A 63 -7.314 -5.491 13.196 1.00 34.14 O ATOM 1021 CB THR A 63 -9.876 -6.712 14.943 1.00 15.24 C ATOM 1022 OG1 THR A 63 -10.428 -5.957 13.856 1.00 14.54 O ATOM 1023 CG2 THR A 63 -10.768 -6.544 16.187 1.00 62.22 C ATOM 0 H THR A 63 -8.752 -4.216 14.904 1.00 21.32 H new ATOM 0 HA THR A 63 -7.987 -6.849 16.020 1.00 5.15 H new ATOM 0 HB THR A 63 -9.850 -7.773 14.693 1.00 15.24 H new ATOM 0 HG1 THR A 63 -11.217 -5.465 14.167 1.00 14.54 H new ATOM 0 HG21 THR A 63 -11.781 -6.874 15.956 1.00 62.22 H new ATOM 0 HG22 THR A 63 -10.369 -7.144 17.005 1.00 62.22 H new ATOM 0 HG23 THR A 63 -10.787 -5.495 16.482 1.00 62.22 H new ATOM 1031 N GLU A 64 -7.226 -7.725 13.650 1.00 44.22 N ATOM 1032 CA GLU A 64 -6.542 -8.099 12.402 1.00 3.02 C ATOM 1033 C GLU A 64 -7.496 -8.022 11.200 1.00 31.10 C ATOM 1034 O GLU A 64 -7.048 -7.799 10.086 1.00 2.30 O ATOM 1035 CB GLU A 64 -5.897 -9.506 12.520 1.00 52.45 C ATOM 1036 CG GLU A 64 -6.866 -10.655 12.881 1.00 33.40 C ATOM 1037 CD GLU A 64 -6.157 -12.022 12.946 1.00 53.52 C ATOM 1038 OE1 GLU A 64 -6.056 -12.704 11.903 1.00 11.13 O ATOM 1039 OE2 GLU A 64 -5.669 -12.407 14.038 1.00 33.21 O ATOM 0 H GLU A 64 -7.397 -8.509 14.279 1.00 44.22 H new ATOM 0 HA GLU A 64 -5.741 -7.379 12.232 1.00 3.02 H new ATOM 0 HB2 GLU A 64 -5.414 -9.746 11.573 1.00 52.45 H new ATOM 0 HB3 GLU A 64 -5.113 -9.465 13.276 1.00 52.45 H new ATOM 0 HG2 GLU A 64 -7.333 -10.444 13.843 1.00 33.40 H new ATOM 0 HG3 GLU A 64 -7.666 -10.698 12.142 1.00 33.40 H new ATOM 1046 N GLU A 65 -8.806 -8.195 11.449 1.00 62.25 N ATOM 1047 CA GLU A 65 -9.854 -8.070 10.416 1.00 24.13 C ATOM 1048 C GLU A 65 -9.899 -6.645 9.843 1.00 33.34 C ATOM 1049 O GLU A 65 -9.921 -6.453 8.618 1.00 54.42 O ATOM 1050 CB GLU A 65 -11.233 -8.454 11.018 1.00 34.22 C ATOM 1051 CG GLU A 65 -11.306 -9.901 11.559 1.00 50.23 C ATOM 1052 CD GLU A 65 -11.019 -10.965 10.480 1.00 41.24 C ATOM 1053 OE1 GLU A 65 -11.927 -11.267 9.669 1.00 4.01 O ATOM 1054 OE2 GLU A 65 -9.887 -11.491 10.419 1.00 73.24 O ATOM 0 H GLU A 65 -9.170 -8.426 12.373 1.00 62.25 H new ATOM 0 HA GLU A 65 -9.616 -8.751 9.599 1.00 24.13 H new ATOM 0 HB2 GLU A 65 -11.469 -7.763 11.827 1.00 34.22 H new ATOM 0 HB3 GLU A 65 -12.000 -8.324 10.254 1.00 34.22 H new ATOM 0 HG2 GLU A 65 -10.590 -10.015 12.373 1.00 50.23 H new ATOM 0 HG3 GLU A 65 -12.296 -10.076 11.979 1.00 50.23 H new ATOM 1061 N LYS A 66 -9.895 -5.653 10.751 1.00 75.14 N ATOM 1062 CA LYS A 66 -9.956 -4.229 10.387 1.00 4.31 C ATOM 1063 C LYS A 66 -8.597 -3.736 9.862 1.00 34.24 C ATOM 1064 O LYS A 66 -8.552 -2.840 9.016 1.00 61.21 O ATOM 1065 CB LYS A 66 -10.437 -3.394 11.597 1.00 40.13 C ATOM 1066 CG LYS A 66 -11.866 -3.759 12.058 1.00 71.10 C ATOM 1067 CD LYS A 66 -12.289 -3.026 13.347 1.00 20.14 C ATOM 1068 CE LYS A 66 -12.375 -1.503 13.177 1.00 41.02 C ATOM 1069 NZ LYS A 66 -12.790 -0.837 14.434 1.00 13.23 N ATOM 0 H LYS A 66 -9.849 -5.817 11.757 1.00 75.14 H new ATOM 0 HA LYS A 66 -10.677 -4.103 9.579 1.00 4.31 H new ATOM 0 HB2 LYS A 66 -9.746 -3.538 12.428 1.00 40.13 H new ATOM 0 HB3 LYS A 66 -10.405 -2.336 11.336 1.00 40.13 H new ATOM 0 HG2 LYS A 66 -12.571 -3.519 11.262 1.00 71.10 H new ATOM 0 HG3 LYS A 66 -11.925 -4.835 12.222 1.00 71.10 H new ATOM 0 HD2 LYS A 66 -13.259 -3.404 13.671 1.00 20.14 H new ATOM 0 HD3 LYS A 66 -11.576 -3.257 14.139 1.00 20.14 H new ATOM 0 HE2 LYS A 66 -11.406 -1.116 12.862 1.00 41.02 H new ATOM 0 HE3 LYS A 66 -13.086 -1.264 12.386 1.00 41.02 H new ATOM 0 HZ1 LYS A 66 -12.838 0.191 14.283 1.00 13.23 H new ATOM 0 HZ2 LYS A 66 -13.726 -1.189 14.721 1.00 13.23 H new ATOM 0 HZ3 LYS A 66 -12.098 -1.045 15.182 1.00 13.23 H new ATOM 1083 N ALA A 67 -7.502 -4.344 10.361 1.00 2.22 N ATOM 1084 CA ALA A 67 -6.134 -4.073 9.881 1.00 2.12 C ATOM 1085 C ALA A 67 -5.986 -4.494 8.406 1.00 10.12 C ATOM 1086 O ALA A 67 -5.490 -3.728 7.576 1.00 51.51 O ATOM 1087 CB ALA A 67 -5.113 -4.801 10.774 1.00 72.21 C ATOM 0 H ALA A 67 -7.542 -5.037 11.108 1.00 2.22 H new ATOM 0 HA ALA A 67 -5.940 -3.002 9.940 1.00 2.12 H new ATOM 0 HB1 ALA A 67 -4.104 -4.597 10.414 1.00 72.21 H new ATOM 0 HB2 ALA A 67 -5.211 -4.448 11.801 1.00 72.21 H new ATOM 0 HB3 ALA A 67 -5.300 -5.874 10.740 1.00 72.21 H new ATOM 1093 N LYS A 68 -6.471 -5.712 8.105 1.00 53.11 N ATOM 1094 CA LYS A 68 -6.467 -6.293 6.748 1.00 64.12 C ATOM 1095 C LYS A 68 -7.426 -5.537 5.809 1.00 32.25 C ATOM 1096 O LYS A 68 -7.182 -5.473 4.598 1.00 10.54 O ATOM 1097 CB LYS A 68 -6.849 -7.799 6.818 1.00 42.44 C ATOM 1098 CG LYS A 68 -5.757 -8.717 7.420 1.00 31.12 C ATOM 1099 CD LYS A 68 -4.521 -8.871 6.499 1.00 11.21 C ATOM 1100 CE LYS A 68 -4.848 -9.627 5.199 1.00 43.04 C ATOM 1101 NZ LYS A 68 -3.700 -9.633 4.269 1.00 51.50 N ATOM 0 H LYS A 68 -6.882 -6.329 8.805 1.00 53.11 H new ATOM 0 HA LYS A 68 -5.462 -6.196 6.338 1.00 64.12 H new ATOM 0 HB2 LYS A 68 -7.758 -7.902 7.411 1.00 42.44 H new ATOM 0 HB3 LYS A 68 -7.083 -8.147 5.812 1.00 42.44 H new ATOM 0 HG2 LYS A 68 -5.439 -8.312 8.381 1.00 31.12 H new ATOM 0 HG3 LYS A 68 -6.184 -9.701 7.614 1.00 31.12 H new ATOM 0 HD2 LYS A 68 -4.129 -7.884 6.253 1.00 11.21 H new ATOM 0 HD3 LYS A 68 -3.735 -9.401 7.036 1.00 11.21 H new ATOM 0 HE2 LYS A 68 -5.131 -10.653 5.435 1.00 43.04 H new ATOM 0 HE3 LYS A 68 -5.707 -9.163 4.714 1.00 43.04 H new ATOM 0 HZ1 LYS A 68 -3.956 -10.151 3.404 1.00 51.50 H new ATOM 0 HZ2 LYS A 68 -3.446 -8.655 4.024 1.00 51.50 H new ATOM 0 HZ3 LYS A 68 -2.888 -10.098 4.723 1.00 51.50 H new ATOM 1115 N SER A 69 -8.520 -4.984 6.380 1.00 42.04 N ATOM 1116 CA SER A 69 -9.484 -4.156 5.634 1.00 44.53 C ATOM 1117 C SER A 69 -8.772 -2.924 5.066 1.00 42.11 C ATOM 1118 O SER A 69 -8.862 -2.653 3.877 1.00 61.35 O ATOM 1119 CB SER A 69 -10.663 -3.741 6.547 1.00 24.12 C ATOM 1120 OG SER A 69 -11.649 -2.998 5.841 1.00 24.10 O ATOM 0 H SER A 69 -8.755 -5.100 7.366 1.00 42.04 H new ATOM 0 HA SER A 69 -9.891 -4.738 4.807 1.00 44.53 H new ATOM 0 HB2 SER A 69 -11.120 -4.633 6.977 1.00 24.12 H new ATOM 0 HB3 SER A 69 -10.286 -3.144 7.378 1.00 24.12 H new ATOM 0 HG SER A 69 -12.015 -2.302 6.426 1.00 24.10 H new ATOM 1126 N ILE A 70 -8.010 -2.237 5.933 1.00 0.23 N ATOM 1127 CA ILE A 70 -7.257 -1.021 5.580 1.00 24.44 C ATOM 1128 C ILE A 70 -6.265 -1.289 4.434 1.00 34.43 C ATOM 1129 O ILE A 70 -6.212 -0.523 3.456 1.00 22.44 O ATOM 1130 CB ILE A 70 -6.512 -0.475 6.854 1.00 0.22 C ATOM 1131 CG1 ILE A 70 -7.562 -0.051 7.935 1.00 71.14 C ATOM 1132 CG2 ILE A 70 -5.551 0.685 6.498 1.00 55.52 C ATOM 1133 CD1 ILE A 70 -6.989 0.328 9.289 1.00 74.11 C ATOM 0 H ILE A 70 -7.898 -2.513 6.909 1.00 0.23 H new ATOM 0 HA ILE A 70 -7.959 -0.266 5.227 1.00 24.44 H new ATOM 0 HB ILE A 70 -5.893 -1.271 7.267 1.00 0.22 H new ATOM 0 HG12 ILE A 70 -8.131 0.795 7.551 1.00 71.14 H new ATOM 0 HG13 ILE A 70 -8.266 -0.872 8.074 1.00 71.14 H new ATOM 0 HG21 ILE A 70 -5.054 1.037 7.402 1.00 55.52 H new ATOM 0 HG22 ILE A 70 -4.804 0.333 5.787 1.00 55.52 H new ATOM 0 HG23 ILE A 70 -6.117 1.503 6.054 1.00 55.52 H new ATOM 0 HD11 ILE A 70 -7.800 0.605 9.963 1.00 74.11 H new ATOM 0 HD12 ILE A 70 -6.446 -0.521 9.705 1.00 74.11 H new ATOM 0 HD13 ILE A 70 -6.309 1.172 9.173 1.00 74.11 H new ATOM 1145 N ILE A 71 -5.509 -2.400 4.560 1.00 70.33 N ATOM 1146 CA ILE A 71 -4.521 -2.811 3.552 1.00 54.53 C ATOM 1147 C ILE A 71 -5.217 -3.053 2.199 1.00 20.12 C ATOM 1148 O ILE A 71 -4.740 -2.591 1.173 1.00 73.03 O ATOM 1149 CB ILE A 71 -3.735 -4.111 3.965 1.00 41.33 C ATOM 1150 CG1 ILE A 71 -3.132 -3.995 5.399 1.00 13.30 C ATOM 1151 CG2 ILE A 71 -2.618 -4.417 2.934 1.00 12.42 C ATOM 1152 CD1 ILE A 71 -2.404 -5.243 5.884 1.00 32.42 C ATOM 0 H ILE A 71 -5.569 -3.031 5.359 1.00 70.33 H new ATOM 0 HA ILE A 71 -3.799 -1.998 3.471 1.00 54.53 H new ATOM 0 HB ILE A 71 -4.448 -4.935 3.974 1.00 41.33 H new ATOM 0 HG12 ILE A 71 -2.438 -3.154 5.420 1.00 13.30 H new ATOM 0 HG13 ILE A 71 -3.935 -3.764 6.099 1.00 13.30 H new ATOM 0 HG21 ILE A 71 -2.084 -5.319 3.233 1.00 12.42 H new ATOM 0 HG22 ILE A 71 -3.062 -4.568 1.950 1.00 12.42 H new ATOM 0 HG23 ILE A 71 -1.922 -3.579 2.893 1.00 12.42 H new ATOM 0 HD11 ILE A 71 -2.018 -5.072 6.889 1.00 32.42 H new ATOM 0 HD12 ILE A 71 -3.096 -6.085 5.900 1.00 32.42 H new ATOM 0 HD13 ILE A 71 -1.576 -5.466 5.211 1.00 32.42 H new ATOM 1164 N LYS A 72 -6.372 -3.750 2.244 1.00 72.55 N ATOM 1165 CA LYS A 72 -7.143 -4.135 1.049 1.00 15.03 C ATOM 1166 C LYS A 72 -7.677 -2.892 0.310 1.00 3.42 C ATOM 1167 O LYS A 72 -7.535 -2.799 -0.904 1.00 11.03 O ATOM 1168 CB LYS A 72 -8.302 -5.078 1.440 1.00 73.15 C ATOM 1169 CG LYS A 72 -9.127 -5.615 0.241 1.00 11.34 C ATOM 1170 CD LYS A 72 -10.234 -6.607 0.663 1.00 31.11 C ATOM 1171 CE LYS A 72 -9.686 -7.870 1.352 1.00 63.31 C ATOM 1172 NZ LYS A 72 -10.766 -8.821 1.718 1.00 23.32 N ATOM 0 H LYS A 72 -6.796 -4.062 3.118 1.00 72.55 H new ATOM 0 HA LYS A 72 -6.477 -4.666 0.369 1.00 15.03 H new ATOM 0 HB2 LYS A 72 -7.894 -5.925 1.992 1.00 73.15 H new ATOM 0 HB3 LYS A 72 -8.972 -4.548 2.117 1.00 73.15 H new ATOM 0 HG2 LYS A 72 -9.581 -4.775 -0.285 1.00 11.34 H new ATOM 0 HG3 LYS A 72 -8.456 -6.107 -0.463 1.00 11.34 H new ATOM 0 HD2 LYS A 72 -10.926 -6.104 1.338 1.00 31.11 H new ATOM 0 HD3 LYS A 72 -10.805 -6.900 -0.218 1.00 31.11 H new ATOM 0 HE2 LYS A 72 -8.977 -8.365 0.689 1.00 63.31 H new ATOM 0 HE3 LYS A 72 -9.137 -7.584 2.249 1.00 63.31 H new ATOM 0 HZ1 LYS A 72 -10.352 -9.656 2.179 1.00 23.32 H new ATOM 0 HZ2 LYS A 72 -11.429 -8.358 2.372 1.00 23.32 H new ATOM 0 HZ3 LYS A 72 -11.275 -9.116 0.860 1.00 23.32 H new ATOM 1186 N LEU A 73 -8.258 -1.935 1.074 1.00 1.33 N ATOM 1187 CA LEU A 73 -8.800 -0.656 0.538 1.00 40.32 C ATOM 1188 C LEU A 73 -7.702 0.119 -0.219 1.00 34.14 C ATOM 1189 O LEU A 73 -7.952 0.710 -1.279 1.00 3.44 O ATOM 1190 CB LEU A 73 -9.405 0.217 1.699 1.00 74.51 C ATOM 1191 CG LEU A 73 -10.923 -0.004 2.050 1.00 3.11 C ATOM 1192 CD1 LEU A 73 -11.253 -1.473 2.368 1.00 51.44 C ATOM 1193 CD2 LEU A 73 -11.350 0.911 3.217 1.00 11.13 C ATOM 0 H LEU A 73 -8.366 -2.026 2.084 1.00 1.33 H new ATOM 0 HA LEU A 73 -9.601 -0.886 -0.165 1.00 40.32 H new ATOM 0 HB2 LEU A 73 -8.820 0.033 2.600 1.00 74.51 H new ATOM 0 HB3 LEU A 73 -9.268 1.267 1.439 1.00 74.51 H new ATOM 0 HG LEU A 73 -11.493 0.262 1.160 1.00 3.11 H new ATOM 0 HD11 LEU A 73 -12.313 -1.565 2.603 1.00 51.44 H new ATOM 0 HD12 LEU A 73 -11.017 -2.094 1.504 1.00 51.44 H new ATOM 0 HD13 LEU A 73 -10.662 -1.802 3.223 1.00 51.44 H new ATOM 0 HD21 LEU A 73 -12.403 0.743 3.444 1.00 11.13 H new ATOM 0 HD22 LEU A 73 -10.748 0.684 4.097 1.00 11.13 H new ATOM 0 HD23 LEU A 73 -11.201 1.953 2.935 1.00 11.13 H new ATOM 1205 N ILE A 74 -6.490 0.094 0.358 1.00 70.32 N ATOM 1206 CA ILE A 74 -5.294 0.709 -0.233 1.00 31.14 C ATOM 1207 C ILE A 74 -4.812 -0.071 -1.487 1.00 52.40 C ATOM 1208 O ILE A 74 -4.530 0.547 -2.515 1.00 12.40 O ATOM 1209 CB ILE A 74 -4.157 0.828 0.861 1.00 0.41 C ATOM 1210 CG1 ILE A 74 -4.581 1.869 1.959 1.00 32.23 C ATOM 1211 CG2 ILE A 74 -2.785 1.175 0.243 1.00 10.34 C ATOM 1212 CD1 ILE A 74 -3.569 2.115 3.068 1.00 13.24 C ATOM 0 H ILE A 74 -6.313 -0.358 1.255 1.00 70.32 H new ATOM 0 HA ILE A 74 -5.549 1.713 -0.573 1.00 31.14 H new ATOM 0 HB ILE A 74 -4.037 -0.147 1.333 1.00 0.41 H new ATOM 0 HG12 ILE A 74 -4.792 2.819 1.469 1.00 32.23 H new ATOM 0 HG13 ILE A 74 -5.513 1.531 2.412 1.00 32.23 H new ATOM 0 HG21 ILE A 74 -2.037 1.246 1.033 1.00 10.34 H new ATOM 0 HG22 ILE A 74 -2.496 0.395 -0.462 1.00 10.34 H new ATOM 0 HG23 ILE A 74 -2.852 2.129 -0.279 1.00 10.34 H new ATOM 0 HD11 ILE A 74 -3.967 2.850 3.768 1.00 13.24 H new ATOM 0 HD12 ILE A 74 -3.373 1.181 3.595 1.00 13.24 H new ATOM 0 HD13 ILE A 74 -2.641 2.490 2.637 1.00 13.24 H new ATOM 1224 N GLU A 75 -4.752 -1.421 -1.398 1.00 31.41 N ATOM 1225 CA GLU A 75 -4.177 -2.281 -2.464 1.00 63.22 C ATOM 1226 C GLU A 75 -5.028 -2.280 -3.743 1.00 53.15 C ATOM 1227 O GLU A 75 -4.479 -2.422 -4.842 1.00 13.14 O ATOM 1228 CB GLU A 75 -3.920 -3.737 -1.974 1.00 44.43 C ATOM 1229 CG GLU A 75 -2.734 -3.878 -0.992 1.00 73.05 C ATOM 1230 CD GLU A 75 -2.353 -5.343 -0.708 1.00 34.04 C ATOM 1231 OE1 GLU A 75 -3.128 -6.052 -0.023 1.00 71.34 O ATOM 1232 OE2 GLU A 75 -1.290 -5.803 -1.193 1.00 51.23 O ATOM 0 H GLU A 75 -5.097 -1.943 -0.593 1.00 31.41 H new ATOM 0 HA GLU A 75 -3.212 -1.839 -2.712 1.00 63.22 H new ATOM 0 HB2 GLU A 75 -4.823 -4.110 -1.491 1.00 44.43 H new ATOM 0 HB3 GLU A 75 -3.737 -4.372 -2.840 1.00 44.43 H new ATOM 0 HG2 GLU A 75 -1.868 -3.357 -1.401 1.00 73.05 H new ATOM 0 HG3 GLU A 75 -2.988 -3.387 -0.053 1.00 73.05 H new ATOM 1239 N GLU A 76 -6.357 -2.131 -3.588 1.00 3.12 N ATOM 1240 CA GLU A 76 -7.290 -1.992 -4.724 1.00 34.04 C ATOM 1241 C GLU A 76 -6.889 -0.785 -5.579 1.00 33.53 C ATOM 1242 O GLU A 76 -6.719 -0.888 -6.798 1.00 34.23 O ATOM 1243 CB GLU A 76 -8.755 -1.818 -4.223 1.00 65.23 C ATOM 1244 CG GLU A 76 -9.328 -3.022 -3.449 1.00 3.44 C ATOM 1245 CD GLU A 76 -9.363 -4.319 -4.273 1.00 2.41 C ATOM 1246 OE1 GLU A 76 -10.258 -4.456 -5.131 1.00 43.22 O ATOM 1247 OE2 GLU A 76 -8.491 -5.194 -4.082 1.00 54.23 O ATOM 0 H GLU A 76 -6.813 -2.104 -2.676 1.00 3.12 H new ATOM 0 HA GLU A 76 -7.237 -2.900 -5.325 1.00 34.04 H new ATOM 0 HB2 GLU A 76 -8.801 -0.938 -3.582 1.00 65.23 H new ATOM 0 HB3 GLU A 76 -9.396 -1.620 -5.082 1.00 65.23 H new ATOM 0 HG2 GLU A 76 -8.730 -3.186 -2.553 1.00 3.44 H new ATOM 0 HG3 GLU A 76 -10.339 -2.784 -3.118 1.00 3.44 H new ATOM 1254 N ARG A 77 -6.678 0.337 -4.881 1.00 12.44 N ATOM 1255 CA ARG A 77 -6.423 1.639 -5.488 1.00 54.42 C ATOM 1256 C ARG A 77 -5.000 1.735 -6.071 1.00 11.11 C ATOM 1257 O ARG A 77 -4.846 2.223 -7.191 1.00 12.45 O ATOM 1258 CB ARG A 77 -6.682 2.750 -4.438 1.00 0.44 C ATOM 1259 CG ARG A 77 -8.159 2.887 -3.993 1.00 72.52 C ATOM 1260 CD ARG A 77 -9.080 3.316 -5.147 1.00 0.42 C ATOM 1261 NE ARG A 77 -10.464 3.550 -4.706 1.00 4.33 N ATOM 1262 CZ ARG A 77 -11.533 3.634 -5.520 1.00 2.24 C ATOM 1263 NH1 ARG A 77 -11.409 3.494 -6.844 1.00 44.51 N ATOM 1264 NH2 ARG A 77 -12.727 3.885 -5.005 1.00 42.43 N ATOM 0 H ARG A 77 -6.681 0.361 -3.861 1.00 12.44 H new ATOM 0 HA ARG A 77 -7.106 1.772 -6.327 1.00 54.42 H new ATOM 0 HB2 ARG A 77 -6.069 2.551 -3.559 1.00 0.44 H new ATOM 0 HB3 ARG A 77 -6.350 3.704 -4.849 1.00 0.44 H new ATOM 0 HG2 ARG A 77 -8.504 1.935 -3.591 1.00 72.52 H new ATOM 0 HG3 ARG A 77 -8.227 3.617 -3.187 1.00 72.52 H new ATOM 0 HD2 ARG A 77 -8.688 4.226 -5.601 1.00 0.42 H new ATOM 0 HD3 ARG A 77 -9.073 2.546 -5.919 1.00 0.42 H new ATOM 0 HE ARG A 77 -10.626 3.657 -3.705 1.00 4.33 H new ATOM 0 HH11 ARG A 77 -10.492 3.320 -7.255 1.00 44.51 H new ATOM 0 HH12 ARG A 77 -12.232 3.561 -7.443 1.00 44.51 H new ATOM 0 HH21 ARG A 77 -12.832 4.013 -3.998 1.00 42.43 H new ATOM 0 HH22 ARG A 77 -13.542 3.950 -5.615 1.00 42.43 H new ATOM 1278 N ILE A 78 -3.959 1.283 -5.314 1.00 44.21 N ATOM 1279 CA ILE A 78 -2.549 1.416 -5.761 1.00 45.11 C ATOM 1280 C ILE A 78 -2.305 0.572 -7.023 1.00 41.12 C ATOM 1281 O ILE A 78 -1.649 1.038 -7.948 1.00 24.22 O ATOM 1282 CB ILE A 78 -1.467 1.075 -4.646 1.00 61.22 C ATOM 1283 CG1 ILE A 78 -1.522 -0.421 -4.210 1.00 1.12 C ATOM 1284 CG2 ILE A 78 -1.608 2.012 -3.420 1.00 24.13 C ATOM 1285 CD1 ILE A 78 -0.484 -0.833 -3.165 1.00 2.22 C ATOM 0 H ILE A 78 -4.071 0.831 -4.406 1.00 44.21 H new ATOM 0 HA ILE A 78 -2.412 2.474 -5.986 1.00 45.11 H new ATOM 0 HB ILE A 78 -0.488 1.245 -5.095 1.00 61.22 H new ATOM 0 HG12 ILE A 78 -2.516 -0.631 -3.814 1.00 1.12 H new ATOM 0 HG13 ILE A 78 -1.392 -1.046 -5.094 1.00 1.12 H new ATOM 0 HG21 ILE A 78 -0.855 1.753 -2.676 1.00 24.13 H new ATOM 0 HG22 ILE A 78 -1.468 3.046 -3.734 1.00 24.13 H new ATOM 0 HG23 ILE A 78 -2.601 1.896 -2.986 1.00 24.13 H new ATOM 0 HD11 ILE A 78 -0.605 -1.890 -2.929 1.00 2.22 H new ATOM 0 HD12 ILE A 78 0.517 -0.662 -3.560 1.00 2.22 H new ATOM 0 HD13 ILE A 78 -0.624 -0.241 -2.260 1.00 2.22 H new ATOM 1297 N GLU A 79 -2.879 -0.656 -7.057 1.00 44.41 N ATOM 1298 CA GLU A 79 -2.775 -1.558 -8.218 1.00 14.43 C ATOM 1299 C GLU A 79 -3.526 -0.968 -9.426 1.00 24.23 C ATOM 1300 O GLU A 79 -3.022 -1.011 -10.551 1.00 32.53 O ATOM 1301 CB GLU A 79 -3.342 -2.965 -7.879 1.00 45.31 C ATOM 1302 CG GLU A 79 -3.140 -4.006 -9.006 1.00 30.22 C ATOM 1303 CD GLU A 79 -3.775 -5.378 -8.723 1.00 23.43 C ATOM 1304 OE1 GLU A 79 -3.415 -6.016 -7.714 1.00 14.12 O ATOM 1305 OE2 GLU A 79 -4.607 -5.850 -9.529 1.00 54.34 O ATOM 0 H GLU A 79 -3.422 -1.041 -6.284 1.00 44.41 H new ATOM 0 HA GLU A 79 -1.720 -1.661 -8.471 1.00 14.43 H new ATOM 0 HB2 GLU A 79 -2.864 -3.330 -6.970 1.00 45.31 H new ATOM 0 HB3 GLU A 79 -4.407 -2.876 -7.666 1.00 45.31 H new ATOM 0 HG2 GLU A 79 -3.559 -3.609 -9.931 1.00 30.22 H new ATOM 0 HG3 GLU A 79 -2.071 -4.141 -9.172 1.00 30.22 H new ATOM 1312 N GLU A 80 -4.733 -0.419 -9.163 1.00 1.45 N ATOM 1313 CA GLU A 80 -5.593 0.216 -10.184 1.00 32.03 C ATOM 1314 C GLU A 80 -4.847 1.342 -10.922 1.00 3.44 C ATOM 1315 O GLU A 80 -4.740 1.322 -12.154 1.00 61.42 O ATOM 1316 CB GLU A 80 -6.869 0.758 -9.492 1.00 20.42 C ATOM 1317 CG GLU A 80 -7.877 1.505 -10.395 1.00 0.33 C ATOM 1318 CD GLU A 80 -9.192 1.829 -9.664 1.00 44.31 C ATOM 1319 OE1 GLU A 80 -9.200 2.727 -8.789 1.00 52.24 O ATOM 1320 OE2 GLU A 80 -10.215 1.157 -9.920 1.00 53.21 O ATOM 0 H GLU A 80 -5.140 -0.405 -8.228 1.00 1.45 H new ATOM 0 HA GLU A 80 -5.870 -0.526 -10.933 1.00 32.03 H new ATOM 0 HB2 GLU A 80 -7.386 -0.080 -9.024 1.00 20.42 H new ATOM 0 HB3 GLU A 80 -6.563 1.432 -8.691 1.00 20.42 H new ATOM 0 HG2 GLU A 80 -7.425 2.431 -10.751 1.00 0.33 H new ATOM 0 HG3 GLU A 80 -8.093 0.897 -11.274 1.00 0.33 H new ATOM 1327 N GLU A 81 -4.301 2.283 -10.143 1.00 53.14 N ATOM 1328 CA GLU A 81 -3.598 3.460 -10.665 1.00 54.31 C ATOM 1329 C GLU A 81 -2.299 3.066 -11.391 1.00 65.43 C ATOM 1330 O GLU A 81 -2.058 3.510 -12.517 1.00 61.44 O ATOM 1331 CB GLU A 81 -3.311 4.456 -9.516 1.00 3.35 C ATOM 1332 CG GLU A 81 -4.580 5.045 -8.850 1.00 63.43 C ATOM 1333 CD GLU A 81 -5.515 5.745 -9.855 1.00 51.11 C ATOM 1334 OE1 GLU A 81 -5.133 6.801 -10.405 1.00 54.43 O ATOM 1335 OE2 GLU A 81 -6.633 5.243 -10.113 1.00 33.43 O ATOM 0 H GLU A 81 -4.335 2.248 -9.124 1.00 53.14 H new ATOM 0 HA GLU A 81 -4.242 3.945 -11.399 1.00 54.31 H new ATOM 0 HB2 GLU A 81 -2.716 3.952 -8.754 1.00 3.35 H new ATOM 0 HB3 GLU A 81 -2.705 5.275 -9.904 1.00 3.35 H new ATOM 0 HG2 GLU A 81 -5.126 4.245 -8.350 1.00 63.43 H new ATOM 0 HG3 GLU A 81 -4.283 5.758 -8.081 1.00 63.43 H new ATOM 1342 N LEU A 82 -1.504 2.196 -10.747 1.00 75.13 N ATOM 1343 CA LEU A 82 -0.169 1.777 -11.239 1.00 24.20 C ATOM 1344 C LEU A 82 -0.267 1.033 -12.590 1.00 32.31 C ATOM 1345 O LEU A 82 0.572 1.228 -13.465 1.00 51.11 O ATOM 1346 CB LEU A 82 0.542 0.884 -10.159 1.00 45.24 C ATOM 1347 CG LEU A 82 1.965 1.332 -9.694 1.00 34.24 C ATOM 1348 CD1 LEU A 82 2.422 0.535 -8.462 1.00 14.34 C ATOM 1349 CD2 LEU A 82 2.995 1.211 -10.833 1.00 25.31 C ATOM 0 H LEU A 82 -1.766 1.757 -9.864 1.00 75.13 H new ATOM 0 HA LEU A 82 0.428 2.673 -11.408 1.00 24.20 H new ATOM 0 HB2 LEU A 82 -0.102 0.837 -9.281 1.00 45.24 H new ATOM 0 HB3 LEU A 82 0.618 -0.129 -10.554 1.00 45.24 H new ATOM 0 HG LEU A 82 1.899 2.383 -9.414 1.00 34.24 H new ATOM 0 HD11 LEU A 82 3.415 0.868 -8.161 1.00 14.34 H new ATOM 0 HD12 LEU A 82 1.721 0.697 -7.643 1.00 14.34 H new ATOM 0 HD13 LEU A 82 2.454 -0.527 -8.707 1.00 14.34 H new ATOM 0 HD21 LEU A 82 3.973 1.531 -10.474 1.00 25.31 H new ATOM 0 HD22 LEU A 82 3.051 0.174 -11.164 1.00 25.31 H new ATOM 0 HD23 LEU A 82 2.690 1.842 -11.668 1.00 25.31 H new ATOM 1361 N ARG A 83 -1.320 0.205 -12.736 1.00 73.24 N ATOM 1362 CA ARG A 83 -1.506 -0.672 -13.909 1.00 14.13 C ATOM 1363 C ARG A 83 -1.916 0.138 -15.161 1.00 43.10 C ATOM 1364 O ARG A 83 -1.588 -0.246 -16.288 1.00 62.12 O ATOM 1365 CB ARG A 83 -2.555 -1.769 -13.589 1.00 1.15 C ATOM 1366 CG ARG A 83 -2.591 -2.940 -14.599 1.00 42.31 C ATOM 1367 CD ARG A 83 -3.657 -3.992 -14.240 1.00 21.45 C ATOM 1368 NE ARG A 83 -3.594 -5.173 -15.122 1.00 24.43 N ATOM 1369 CZ ARG A 83 -4.131 -6.375 -14.837 1.00 61.11 C ATOM 1370 NH1 ARG A 83 -4.783 -6.580 -13.694 1.00 63.11 N ATOM 1371 NH2 ARG A 83 -3.989 -7.374 -15.696 1.00 41.45 N ATOM 0 H ARG A 83 -2.065 0.125 -12.044 1.00 73.24 H new ATOM 0 HA ARG A 83 -0.553 -1.152 -14.132 1.00 14.13 H new ATOM 0 HB2 ARG A 83 -2.351 -2.169 -12.596 1.00 1.15 H new ATOM 0 HB3 ARG A 83 -3.542 -1.309 -13.551 1.00 1.15 H new ATOM 0 HG2 ARG A 83 -2.791 -2.550 -15.597 1.00 42.31 H new ATOM 0 HG3 ARG A 83 -1.611 -3.417 -14.634 1.00 42.31 H new ATOM 0 HD2 ARG A 83 -3.521 -4.306 -13.205 1.00 21.45 H new ATOM 0 HD3 ARG A 83 -4.647 -3.542 -14.309 1.00 21.45 H new ATOM 0 HE ARG A 83 -3.108 -5.072 -16.013 1.00 24.43 H new ATOM 0 HH11 ARG A 83 -4.881 -5.821 -13.020 1.00 63.11 H new ATOM 0 HH12 ARG A 83 -5.184 -7.496 -13.493 1.00 63.11 H new ATOM 0 HH21 ARG A 83 -3.476 -7.230 -16.566 1.00 41.45 H new ATOM 0 HH22 ARG A 83 -4.393 -8.287 -15.487 1.00 41.45 H new ATOM 1385 N LYS A 84 -2.632 1.261 -14.956 1.00 20.01 N ATOM 1386 CA LYS A 84 -3.007 2.175 -16.056 1.00 65.51 C ATOM 1387 C LYS A 84 -1.768 2.951 -16.549 1.00 55.42 C ATOM 1388 O LYS A 84 -1.606 3.189 -17.752 1.00 71.21 O ATOM 1389 CB LYS A 84 -4.100 3.173 -15.590 1.00 54.13 C ATOM 1390 CG LYS A 84 -5.439 2.519 -15.187 1.00 11.44 C ATOM 1391 CD LYS A 84 -6.469 3.553 -14.666 1.00 31.11 C ATOM 1392 CE LYS A 84 -5.978 4.312 -13.418 1.00 2.01 C ATOM 1393 NZ LYS A 84 -6.942 5.349 -12.971 1.00 43.40 N ATOM 0 H LYS A 84 -2.963 1.558 -14.038 1.00 20.01 H new ATOM 0 HA LYS A 84 -3.406 1.578 -16.876 1.00 65.51 H new ATOM 0 HB2 LYS A 84 -3.718 3.740 -14.741 1.00 54.13 H new ATOM 0 HB3 LYS A 84 -4.287 3.887 -16.392 1.00 54.13 H new ATOM 0 HG2 LYS A 84 -5.857 1.995 -16.046 1.00 11.44 H new ATOM 0 HG3 LYS A 84 -5.257 1.771 -14.415 1.00 11.44 H new ATOM 0 HD2 LYS A 84 -6.689 4.269 -15.457 1.00 31.11 H new ATOM 0 HD3 LYS A 84 -7.402 3.042 -14.430 1.00 31.11 H new ATOM 0 HE2 LYS A 84 -5.810 3.603 -12.608 1.00 2.01 H new ATOM 0 HE3 LYS A 84 -5.019 4.781 -13.635 1.00 2.01 H new ATOM 0 HZ1 LYS A 84 -6.942 5.398 -11.932 1.00 43.40 H new ATOM 0 HZ2 LYS A 84 -6.665 6.272 -13.361 1.00 43.40 H new ATOM 0 HZ3 LYS A 84 -7.896 5.104 -13.306 1.00 43.40 H new ATOM 1407 N ARG A 85 -0.909 3.332 -15.588 1.00 23.21 N ATOM 1408 CA ARG A 85 0.301 4.139 -15.842 1.00 12.52 C ATOM 1409 C ARG A 85 1.454 3.269 -16.381 1.00 32.35 C ATOM 1410 O ARG A 85 2.355 3.778 -17.061 1.00 0.50 O ATOM 1411 CB ARG A 85 0.698 4.879 -14.533 1.00 61.24 C ATOM 1412 CG ARG A 85 -0.414 5.829 -14.020 1.00 5.13 C ATOM 1413 CD ARG A 85 -0.078 6.532 -12.697 1.00 33.23 C ATOM 1414 NE ARG A 85 1.010 7.512 -12.840 1.00 1.51 N ATOM 1415 CZ ARG A 85 1.311 8.473 -11.946 1.00 43.34 C ATOM 1416 NH1 ARG A 85 0.604 8.612 -10.826 1.00 31.45 N ATOM 1417 NH2 ARG A 85 2.334 9.281 -12.180 1.00 2.10 N ATOM 0 H ARG A 85 -1.034 3.088 -14.606 1.00 23.21 H new ATOM 0 HA ARG A 85 0.087 4.878 -16.614 1.00 12.52 H new ATOM 0 HB2 ARG A 85 0.927 4.145 -13.761 1.00 61.24 H new ATOM 0 HB3 ARG A 85 1.608 5.453 -14.707 1.00 61.24 H new ATOM 0 HG2 ARG A 85 -0.611 6.585 -14.781 1.00 5.13 H new ATOM 0 HG3 ARG A 85 -1.334 5.258 -13.892 1.00 5.13 H new ATOM 0 HD2 ARG A 85 -0.969 7.035 -12.320 1.00 33.23 H new ATOM 0 HD3 ARG A 85 0.205 5.786 -11.954 1.00 33.23 H new ATOM 0 HE ARG A 85 1.582 7.459 -13.683 1.00 1.51 H new ATOM 0 HH11 ARG A 85 -0.178 7.985 -10.636 1.00 31.45 H new ATOM 0 HH12 ARG A 85 0.845 9.345 -10.159 1.00 31.45 H new ATOM 0 HH21 ARG A 85 2.886 9.172 -13.031 1.00 2.10 H new ATOM 0 HH22 ARG A 85 2.570 10.012 -11.509 1.00 2.10 H new ATOM 1431 N ASP A 86 1.410 1.963 -16.064 1.00 54.25 N ATOM 1432 CA ASP A 86 2.346 0.956 -16.589 1.00 32.22 C ATOM 1433 C ASP A 86 1.671 -0.430 -16.498 1.00 61.10 C ATOM 1434 O ASP A 86 1.519 -0.961 -15.395 1.00 74.30 O ATOM 1435 CB ASP A 86 3.692 0.975 -15.805 1.00 21.14 C ATOM 1436 CG ASP A 86 4.720 -0.051 -16.329 1.00 65.24 C ATOM 1437 OD1 ASP A 86 5.084 0.019 -17.522 1.00 73.02 O ATOM 1438 OD2 ASP A 86 5.165 -0.934 -15.561 1.00 53.12 O ATOM 0 H ASP A 86 0.714 1.573 -15.428 1.00 54.25 H new ATOM 0 HA ASP A 86 2.582 1.183 -17.628 1.00 32.22 H new ATOM 0 HB2 ASP A 86 4.124 1.974 -15.864 1.00 21.14 H new ATOM 0 HB3 ASP A 86 3.494 0.775 -14.752 1.00 21.14 H new ATOM 1443 N PRO A 87 1.206 -1.021 -17.651 1.00 5.34 N ATOM 1444 CA PRO A 87 0.536 -2.359 -17.669 1.00 13.22 C ATOM 1445 C PRO A 87 1.471 -3.501 -17.220 1.00 45.34 C ATOM 1446 O PRO A 87 1.018 -4.555 -16.769 1.00 42.41 O ATOM 1447 CB PRO A 87 0.110 -2.531 -19.158 1.00 5.43 C ATOM 1448 CG PRO A 87 0.160 -1.147 -19.744 1.00 25.11 C ATOM 1449 CD PRO A 87 1.278 -0.435 -19.016 1.00 2.24 C ATOM 0 HA PRO A 87 -0.299 -2.406 -16.970 1.00 13.22 H new ATOM 0 HB2 PRO A 87 0.784 -3.206 -19.685 1.00 5.43 H new ATOM 0 HB3 PRO A 87 -0.891 -2.955 -19.235 1.00 5.43 H new ATOM 0 HG2 PRO A 87 0.351 -1.183 -20.816 1.00 25.11 H new ATOM 0 HG3 PRO A 87 -0.789 -0.629 -19.607 1.00 25.11 H new ATOM 0 HD2 PRO A 87 2.246 -0.616 -19.484 1.00 2.24 H new ATOM 0 HD3 PRO A 87 1.128 0.645 -19.001 1.00 2.24 H new ATOM 1457 N ASN A 88 2.783 -3.250 -17.345 1.00 45.24 N ATOM 1458 CA ASN A 88 3.839 -4.228 -17.048 1.00 74.44 C ATOM 1459 C ASN A 88 4.091 -4.323 -15.521 1.00 52.12 C ATOM 1460 O ASN A 88 4.761 -5.260 -15.057 1.00 71.44 O ATOM 1461 CB ASN A 88 5.144 -3.820 -17.786 1.00 21.14 C ATOM 1462 CG ASN A 88 4.931 -3.462 -19.264 1.00 52.04 C ATOM 1463 OD1 ASN A 88 4.991 -4.317 -20.143 1.00 54.52 O ATOM 1464 ND2 ASN A 88 4.672 -2.188 -19.544 1.00 1.02 N ATOM 0 H ASN A 88 3.145 -2.350 -17.660 1.00 45.24 H new ATOM 0 HA ASN A 88 3.518 -5.210 -17.396 1.00 74.44 H new ATOM 0 HB2 ASN A 88 5.588 -2.966 -17.275 1.00 21.14 H new ATOM 0 HB3 ASN A 88 5.860 -4.639 -17.719 1.00 21.14 H new ATOM 0 HD21 ASN A 88 4.517 -1.899 -20.510 1.00 1.02 H new ATOM 0 HD22 ASN A 88 4.628 -1.499 -18.793 1.00 1.02 H new ATOM 1471 N ALA A 89 3.559 -3.331 -14.762 1.00 70.55 N ATOM 1472 CA ALA A 89 3.708 -3.239 -13.296 1.00 23.01 C ATOM 1473 C ALA A 89 3.090 -4.459 -12.595 1.00 71.31 C ATOM 1474 O ALA A 89 1.887 -4.712 -12.705 1.00 2.12 O ATOM 1475 CB ALA A 89 3.087 -1.931 -12.773 1.00 22.11 C ATOM 0 H ALA A 89 3.011 -2.568 -15.159 1.00 70.55 H new ATOM 0 HA ALA A 89 4.773 -3.231 -13.064 1.00 23.01 H new ATOM 0 HB1 ALA A 89 3.206 -1.879 -11.691 1.00 22.11 H new ATOM 0 HB2 ALA A 89 3.589 -1.080 -13.234 1.00 22.11 H new ATOM 0 HB3 ALA A 89 2.026 -1.906 -13.023 1.00 22.11 H new ATOM 1481 N THR A 90 3.940 -5.205 -11.882 1.00 64.35 N ATOM 1482 CA THR A 90 3.573 -6.451 -11.201 1.00 12.54 C ATOM 1483 C THR A 90 3.903 -6.311 -9.708 1.00 61.11 C ATOM 1484 O THR A 90 5.002 -5.875 -9.355 1.00 4.13 O ATOM 1485 CB THR A 90 4.357 -7.655 -11.818 1.00 43.22 C ATOM 1486 OG1 THR A 90 4.186 -7.641 -13.247 1.00 11.52 O ATOM 1487 CG2 THR A 90 3.905 -9.019 -11.240 1.00 42.12 C ATOM 0 H THR A 90 4.921 -4.955 -11.760 1.00 64.35 H new ATOM 0 HA THR A 90 2.507 -6.639 -11.326 1.00 12.54 H new ATOM 0 HB THR A 90 5.409 -7.539 -11.558 1.00 43.22 H new ATOM 0 HG1 THR A 90 4.583 -6.824 -13.616 1.00 11.52 H new ATOM 0 HG21 THR A 90 4.482 -9.820 -11.703 1.00 42.12 H new ATOM 0 HG22 THR A 90 4.069 -9.030 -10.163 1.00 42.12 H new ATOM 0 HG23 THR A 90 2.845 -9.169 -11.447 1.00 42.12 H new ATOM 1495 N ILE A 91 2.948 -6.676 -8.849 1.00 75.12 N ATOM 1496 CA ILE A 91 3.085 -6.579 -7.380 1.00 45.10 C ATOM 1497 C ILE A 91 3.067 -7.997 -6.776 1.00 4.43 C ATOM 1498 O ILE A 91 2.331 -8.873 -7.246 1.00 40.33 O ATOM 1499 CB ILE A 91 1.974 -5.660 -6.702 1.00 14.05 C ATOM 1500 CG1 ILE A 91 0.515 -6.216 -6.864 1.00 53.43 C ATOM 1501 CG2 ILE A 91 2.065 -4.209 -7.235 1.00 73.35 C ATOM 1502 CD1 ILE A 91 -0.095 -6.119 -8.253 1.00 62.33 C ATOM 0 H ILE A 91 2.048 -7.051 -9.148 1.00 75.12 H new ATOM 0 HA ILE A 91 4.038 -6.093 -7.171 1.00 45.10 H new ATOM 0 HB ILE A 91 2.186 -5.667 -5.633 1.00 14.05 H new ATOM 0 HG12 ILE A 91 0.513 -7.263 -6.562 1.00 53.43 H new ATOM 0 HG13 ILE A 91 -0.133 -5.683 -6.168 1.00 53.43 H new ATOM 0 HG21 ILE A 91 1.298 -3.598 -6.759 1.00 73.35 H new ATOM 0 HG22 ILE A 91 3.049 -3.799 -7.007 1.00 73.35 H new ATOM 0 HG23 ILE A 91 1.913 -4.208 -8.314 1.00 73.35 H new ATOM 0 HD11 ILE A 91 -1.103 -6.535 -8.238 1.00 62.33 H new ATOM 0 HD12 ILE A 91 -0.138 -5.074 -8.559 1.00 62.33 H new ATOM 0 HD13 ILE A 91 0.518 -6.679 -8.959 1.00 62.33 H new ATOM 1514 N THR A 92 3.921 -8.225 -5.774 1.00 22.23 N ATOM 1515 CA THR A 92 4.021 -9.504 -5.058 1.00 35.10 C ATOM 1516 C THR A 92 3.704 -9.242 -3.581 1.00 61.23 C ATOM 1517 O THR A 92 4.428 -8.503 -2.936 1.00 33.23 O ATOM 1518 CB THR A 92 5.469 -10.099 -5.197 1.00 64.32 C ATOM 1519 OG1 THR A 92 5.878 -10.059 -6.577 1.00 14.15 O ATOM 1520 CG2 THR A 92 5.560 -11.549 -4.674 1.00 51.14 C ATOM 0 H THR A 92 4.572 -7.518 -5.431 1.00 22.23 H new ATOM 0 HA THR A 92 3.319 -10.224 -5.479 1.00 35.10 H new ATOM 0 HB THR A 92 6.133 -9.487 -4.587 1.00 64.32 H new ATOM 0 HG1 THR A 92 6.782 -10.429 -6.661 1.00 14.15 H new ATOM 0 HG21 THR A 92 6.580 -11.915 -4.792 1.00 51.14 H new ATOM 0 HG22 THR A 92 5.285 -11.573 -3.619 1.00 51.14 H new ATOM 0 HG23 THR A 92 4.879 -12.184 -5.241 1.00 51.14 H new ATOM 1528 N ARG A 93 2.607 -9.800 -3.070 1.00 22.34 N ATOM 1529 CA ARG A 93 2.192 -9.620 -1.669 1.00 71.41 C ATOM 1530 C ARG A 93 2.701 -10.800 -0.819 1.00 62.12 C ATOM 1531 O ARG A 93 2.277 -11.946 -1.021 1.00 52.33 O ATOM 1532 CB ARG A 93 0.649 -9.489 -1.605 1.00 45.40 C ATOM 1533 CG ARG A 93 0.070 -9.399 -0.175 1.00 72.14 C ATOM 1534 CD ARG A 93 -1.431 -9.083 -0.161 1.00 11.42 C ATOM 1535 NE ARG A 93 -2.217 -10.027 -0.974 1.00 53.01 N ATOM 1536 CZ ARG A 93 -3.188 -9.681 -1.839 1.00 63.42 C ATOM 1537 NH1 ARG A 93 -3.507 -8.400 -2.031 1.00 3.24 N ATOM 1538 NH2 ARG A 93 -3.818 -10.627 -2.516 1.00 13.23 N ATOM 0 H ARG A 93 1.977 -10.391 -3.612 1.00 22.34 H new ATOM 0 HA ARG A 93 2.627 -8.707 -1.262 1.00 71.41 H new ATOM 0 HB2 ARG A 93 0.350 -8.600 -2.161 1.00 45.40 H new ATOM 0 HB3 ARG A 93 0.203 -10.346 -2.110 1.00 45.40 H new ATOM 0 HG2 ARG A 93 0.243 -10.343 0.342 1.00 72.14 H new ATOM 0 HG3 ARG A 93 0.604 -8.628 0.381 1.00 72.14 H new ATOM 0 HD2 ARG A 93 -1.793 -9.105 0.867 1.00 11.42 H new ATOM 0 HD3 ARG A 93 -1.589 -8.071 -0.533 1.00 11.42 H new ATOM 0 HE ARG A 93 -2.009 -11.020 -0.873 1.00 53.01 H new ATOM 0 HH11 ARG A 93 -3.013 -7.669 -1.519 1.00 3.24 H new ATOM 0 HH12 ARG A 93 -4.245 -8.151 -2.690 1.00 3.24 H new ATOM 0 HH21 ARG A 93 -3.566 -11.606 -2.379 1.00 13.23 H new ATOM 0 HH22 ARG A 93 -4.556 -10.378 -3.175 1.00 13.23 H new ATOM 1552 N THR A 94 3.628 -10.508 0.120 1.00 32.34 N ATOM 1553 CA THR A 94 4.240 -11.510 1.014 1.00 73.05 C ATOM 1554 C THR A 94 4.153 -11.040 2.476 1.00 10.12 C ATOM 1555 O THR A 94 4.871 -10.125 2.885 1.00 11.20 O ATOM 1556 CB THR A 94 5.742 -11.770 0.636 1.00 61.51 C ATOM 1557 OG1 THR A 94 5.845 -12.040 -0.775 1.00 22.43 O ATOM 1558 CG2 THR A 94 6.338 -12.951 1.426 1.00 24.13 C ATOM 0 H THR A 94 3.974 -9.562 0.278 1.00 32.34 H new ATOM 0 HA THR A 94 3.688 -12.442 0.896 1.00 73.05 H new ATOM 0 HB THR A 94 6.308 -10.874 0.893 1.00 61.51 H new ATOM 0 HG1 THR A 94 6.783 -12.200 -1.010 1.00 22.43 H new ATOM 0 HG21 THR A 94 7.378 -13.096 1.134 1.00 24.13 H new ATOM 0 HG22 THR A 94 6.287 -12.737 2.494 1.00 24.13 H new ATOM 0 HG23 THR A 94 5.771 -13.856 1.210 1.00 24.13 H new ATOM 1566 N VAL A 95 3.255 -11.664 3.250 1.00 53.21 N ATOM 1567 CA VAL A 95 3.050 -11.331 4.674 1.00 23.40 C ATOM 1568 C VAL A 95 4.064 -12.099 5.550 1.00 73.00 C ATOM 1569 O VAL A 95 4.457 -13.223 5.212 1.00 20.11 O ATOM 1570 CB VAL A 95 1.568 -11.637 5.118 1.00 11.32 C ATOM 1571 CG1 VAL A 95 1.221 -13.144 4.986 1.00 12.15 C ATOM 1572 CG2 VAL A 95 1.273 -11.097 6.545 1.00 22.45 C ATOM 0 H VAL A 95 2.650 -12.412 2.912 1.00 53.21 H new ATOM 0 HA VAL A 95 3.218 -10.263 4.809 1.00 23.40 H new ATOM 0 HB VAL A 95 0.912 -11.102 4.431 1.00 11.32 H new ATOM 0 HG11 VAL A 95 0.191 -13.309 5.302 1.00 12.15 H new ATOM 0 HG12 VAL A 95 1.336 -13.454 3.947 1.00 12.15 H new ATOM 0 HG13 VAL A 95 1.892 -13.728 5.615 1.00 12.15 H new ATOM 0 HG21 VAL A 95 0.242 -11.327 6.815 1.00 22.45 H new ATOM 0 HG22 VAL A 95 1.949 -11.567 7.259 1.00 22.45 H new ATOM 0 HG23 VAL A 95 1.420 -10.017 6.563 1.00 22.45 H new ATOM 1582 N ARG A 96 4.508 -11.474 6.658 1.00 62.11 N ATOM 1583 CA ARG A 96 5.487 -12.078 7.591 1.00 44.41 C ATOM 1584 C ARG A 96 4.978 -12.028 9.052 1.00 43.32 C ATOM 1585 O ARG A 96 5.519 -12.719 9.928 1.00 3.30 O ATOM 1586 CB ARG A 96 6.870 -11.373 7.432 1.00 1.41 C ATOM 1587 CG ARG A 96 8.034 -12.006 8.241 1.00 64.15 C ATOM 1588 CD ARG A 96 8.207 -13.520 7.971 1.00 12.24 C ATOM 1589 NE ARG A 96 9.172 -14.149 8.893 1.00 34.02 N ATOM 1590 CZ ARG A 96 8.883 -14.591 10.135 1.00 51.24 C ATOM 1591 NH1 ARG A 96 7.655 -14.491 10.638 1.00 62.13 N ATOM 1592 NH2 ARG A 96 9.826 -15.171 10.849 1.00 30.44 N ATOM 0 H ARG A 96 4.202 -10.541 6.933 1.00 62.11 H new ATOM 0 HA ARG A 96 5.609 -13.132 7.341 1.00 44.41 H new ATOM 0 HB2 ARG A 96 7.141 -11.374 6.376 1.00 1.41 H new ATOM 0 HB3 ARG A 96 6.765 -10.331 7.733 1.00 1.41 H new ATOM 0 HG2 ARG A 96 8.962 -11.491 7.995 1.00 64.15 H new ATOM 0 HG3 ARG A 96 7.856 -11.851 9.305 1.00 64.15 H new ATOM 0 HD2 ARG A 96 7.241 -14.016 8.066 1.00 12.24 H new ATOM 0 HD3 ARG A 96 8.541 -13.667 6.944 1.00 12.24 H new ATOM 0 HE ARG A 96 10.132 -14.258 8.566 1.00 34.02 H new ATOM 0 HH11 ARG A 96 6.909 -14.073 10.082 1.00 62.13 H new ATOM 0 HH12 ARG A 96 7.460 -14.832 11.579 1.00 62.13 H new ATOM 0 HH21 ARG A 96 10.763 -15.282 10.462 1.00 30.44 H new ATOM 0 HH22 ARG A 96 9.619 -15.509 11.789 1.00 30.44 H new ATOM 1606 N THR A 97 3.924 -11.227 9.310 1.00 75.55 N ATOM 1607 CA THR A 97 3.320 -11.131 10.648 1.00 61.01 C ATOM 1608 C THR A 97 2.557 -12.430 10.981 1.00 33.23 C ATOM 1609 O THR A 97 1.602 -12.801 10.283 1.00 51.43 O ATOM 1610 CB THR A 97 2.376 -9.901 10.753 1.00 22.02 C ATOM 1611 OG1 THR A 97 3.131 -8.725 10.465 1.00 12.24 O ATOM 1612 CG2 THR A 97 1.748 -9.762 12.154 1.00 13.42 C ATOM 0 H THR A 97 3.476 -10.639 8.607 1.00 75.55 H new ATOM 0 HA THR A 97 4.122 -10.997 11.374 1.00 61.01 H new ATOM 0 HB THR A 97 1.563 -10.038 10.040 1.00 22.02 H new ATOM 0 HG1 THR A 97 2.978 -8.058 11.167 1.00 12.24 H new ATOM 0 HG21 THR A 97 1.097 -8.888 12.176 1.00 13.42 H new ATOM 0 HG22 THR A 97 1.165 -10.654 12.382 1.00 13.42 H new ATOM 0 HG23 THR A 97 2.537 -9.645 12.897 1.00 13.42 H new ATOM 1620 N GLU A 98 2.996 -13.104 12.052 1.00 24.42 N ATOM 1621 CA GLU A 98 2.430 -14.377 12.508 1.00 4.30 C ATOM 1622 C GLU A 98 1.204 -14.102 13.403 1.00 52.50 C ATOM 1623 O GLU A 98 1.280 -14.171 14.636 1.00 33.33 O ATOM 1624 CB GLU A 98 3.532 -15.183 13.256 1.00 54.31 C ATOM 1625 CG GLU A 98 4.756 -15.546 12.380 1.00 3.31 C ATOM 1626 CD GLU A 98 5.904 -16.217 13.165 1.00 55.23 C ATOM 1627 OE1 GLU A 98 5.725 -17.358 13.644 1.00 54.04 O ATOM 1628 OE2 GLU A 98 6.992 -15.609 13.304 1.00 73.15 O ATOM 0 H GLU A 98 3.766 -12.774 12.634 1.00 24.42 H new ATOM 0 HA GLU A 98 2.092 -14.974 11.661 1.00 4.30 H new ATOM 0 HB2 GLU A 98 3.872 -14.603 14.114 1.00 54.31 H new ATOM 0 HB3 GLU A 98 3.093 -16.101 13.646 1.00 54.31 H new ATOM 0 HG2 GLU A 98 4.435 -16.214 11.581 1.00 3.31 H new ATOM 0 HG3 GLU A 98 5.133 -14.640 11.905 1.00 3.31 H new ATOM 1635 N VAL A 99 0.091 -13.708 12.755 1.00 62.32 N ATOM 1636 CA VAL A 99 -1.200 -13.457 13.432 1.00 55.12 C ATOM 1637 C VAL A 99 -1.858 -14.794 13.839 1.00 4.45 C ATOM 1638 O VAL A 99 -1.804 -15.778 13.089 1.00 75.41 O ATOM 1639 CB VAL A 99 -2.193 -12.619 12.520 1.00 23.22 C ATOM 1640 CG1 VAL A 99 -1.657 -11.188 12.264 1.00 31.13 C ATOM 1641 CG2 VAL A 99 -2.478 -13.343 11.178 1.00 20.13 C ATOM 0 H VAL A 99 0.060 -13.554 11.747 1.00 62.32 H new ATOM 0 HA VAL A 99 -0.992 -12.868 14.325 1.00 55.12 H new ATOM 0 HB VAL A 99 -3.134 -12.534 13.064 1.00 23.22 H new ATOM 0 HG11 VAL A 99 -2.362 -10.642 11.636 1.00 31.13 H new ATOM 0 HG12 VAL A 99 -1.540 -10.668 13.215 1.00 31.13 H new ATOM 0 HG13 VAL A 99 -0.692 -11.246 11.761 1.00 31.13 H new ATOM 0 HG21 VAL A 99 -3.161 -12.742 10.578 1.00 20.13 H new ATOM 0 HG22 VAL A 99 -1.544 -13.482 10.634 1.00 20.13 H new ATOM 0 HG23 VAL A 99 -2.930 -14.315 11.378 1.00 20.13 H new ATOM 1651 N GLY A 100 -2.452 -14.820 15.043 1.00 3.50 N ATOM 1652 CA GLY A 100 -3.156 -16.001 15.550 1.00 63.02 C ATOM 1653 C GLY A 100 -2.717 -16.365 16.957 1.00 34.23 C ATOM 1654 O GLY A 100 -2.345 -17.512 17.222 1.00 33.33 O ATOM 0 H GLY A 100 -2.456 -14.028 15.685 1.00 3.50 H new ATOM 0 HA2 GLY A 100 -4.230 -15.814 15.542 1.00 63.02 H new ATOM 0 HA3 GLY A 100 -2.975 -16.845 14.884 1.00 63.02 H new ATOM 1658 N SER A 101 -2.762 -15.374 17.862 1.00 31.42 N ATOM 1659 CA SER A 101 -2.390 -15.543 19.281 1.00 2.22 C ATOM 1660 C SER A 101 -3.533 -16.217 20.081 1.00 71.51 C ATOM 1661 O SER A 101 -4.625 -16.451 19.550 1.00 51.13 O ATOM 1662 CB SER A 101 -2.043 -14.157 19.874 1.00 21.44 C ATOM 1663 OG SER A 101 -1.573 -14.254 21.209 1.00 11.21 O ATOM 0 H SER A 101 -3.059 -14.426 17.631 1.00 31.42 H new ATOM 0 HA SER A 101 -1.521 -16.197 19.351 1.00 2.22 H new ATOM 0 HB2 SER A 101 -1.284 -13.678 19.256 1.00 21.44 H new ATOM 0 HB3 SER A 101 -2.926 -13.519 19.846 1.00 21.44 H new ATOM 0 HG SER A 101 -1.363 -13.359 21.548 1.00 11.21 H new ATOM 1669 N SER A 102 -3.273 -16.529 21.361 1.00 0.02 N ATOM 1670 CA SER A 102 -4.262 -17.134 22.267 1.00 41.22 C ATOM 1671 C SER A 102 -4.620 -16.140 23.389 1.00 51.00 C ATOM 1672 O SER A 102 -3.995 -16.136 24.462 1.00 32.32 O ATOM 1673 CB SER A 102 -3.712 -18.462 22.840 1.00 2.33 C ATOM 1674 OG SER A 102 -3.367 -19.373 21.805 1.00 15.52 O ATOM 0 H SER A 102 -2.366 -16.368 21.798 1.00 0.02 H new ATOM 0 HA SER A 102 -5.173 -17.361 21.714 1.00 41.22 H new ATOM 0 HB2 SER A 102 -2.835 -18.259 23.454 1.00 2.33 H new ATOM 0 HB3 SER A 102 -4.459 -18.916 23.491 1.00 2.33 H new ATOM 0 HG SER A 102 -3.021 -20.201 22.200 1.00 15.52 H new ATOM 1680 N TRP A 103 -5.602 -15.264 23.106 1.00 21.40 N ATOM 1681 CA TRP A 103 -6.122 -14.303 24.086 1.00 1.03 C ATOM 1682 C TRP A 103 -7.078 -15.059 25.032 1.00 65.03 C ATOM 1683 O TRP A 103 -8.257 -15.264 24.719 1.00 24.54 O ATOM 1684 CB TRP A 103 -6.818 -13.109 23.361 1.00 45.25 C ATOM 1685 CG TRP A 103 -7.080 -11.902 24.241 1.00 14.42 C ATOM 1686 CD1 TRP A 103 -6.229 -11.365 25.166 1.00 21.22 C ATOM 1687 CD2 TRP A 103 -8.253 -11.069 24.254 1.00 15.42 C ATOM 1688 NE1 TRP A 103 -6.804 -10.274 25.763 1.00 63.23 N ATOM 1689 CE2 TRP A 103 -8.041 -10.068 25.220 1.00 73.24 C ATOM 1690 CE3 TRP A 103 -9.462 -11.076 23.551 1.00 42.31 C ATOM 1691 CZ2 TRP A 103 -8.985 -9.087 25.501 1.00 23.43 C ATOM 1692 CZ3 TRP A 103 -10.402 -10.099 23.830 1.00 24.43 C ATOM 1693 CH2 TRP A 103 -10.158 -9.115 24.797 1.00 51.34 C ATOM 0 H TRP A 103 -6.054 -15.206 22.193 1.00 21.40 H new ATOM 0 HA TRP A 103 -5.313 -13.871 24.676 1.00 1.03 H new ATOM 0 HB2 TRP A 103 -6.198 -12.801 22.519 1.00 45.25 H new ATOM 0 HB3 TRP A 103 -7.766 -13.454 22.949 1.00 45.25 H new ATOM 0 HD1 TRP A 103 -5.244 -11.746 25.394 1.00 21.22 H new ATOM 0 HE1 TRP A 103 -6.377 -9.707 26.495 1.00 63.23 H new ATOM 0 HE3 TRP A 103 -9.659 -11.830 22.804 1.00 42.31 H new ATOM 0 HZ2 TRP A 103 -8.799 -8.330 26.248 1.00 23.43 H new ATOM 0 HZ3 TRP A 103 -11.339 -10.095 23.293 1.00 24.43 H new ATOM 0 HH2 TRP A 103 -10.910 -8.364 24.990 1.00 51.34 H new ATOM 1704 N SER A 104 -6.518 -15.535 26.156 1.00 33.20 N ATOM 1705 CA SER A 104 -7.190 -16.462 27.082 1.00 43.42 C ATOM 1706 C SER A 104 -7.497 -15.747 28.411 1.00 62.42 C ATOM 1707 O SER A 104 -6.578 -15.460 29.197 1.00 23.11 O ATOM 1708 CB SER A 104 -6.275 -17.692 27.307 1.00 62.51 C ATOM 1709 OG SER A 104 -5.880 -18.268 26.072 1.00 73.15 O ATOM 0 H SER A 104 -5.574 -15.284 26.451 1.00 33.20 H new ATOM 0 HA SER A 104 -8.137 -16.797 26.658 1.00 43.42 H new ATOM 0 HB2 SER A 104 -5.392 -17.393 27.872 1.00 62.51 H new ATOM 0 HB3 SER A 104 -6.801 -18.435 27.907 1.00 62.51 H new ATOM 0 HG SER A 104 -5.240 -17.676 25.625 1.00 73.15 H new ATOM 1715 N LEU A 105 -8.786 -15.415 28.634 1.00 15.43 N ATOM 1716 CA LEU A 105 -9.246 -14.709 29.847 1.00 55.54 C ATOM 1717 C LEU A 105 -10.083 -15.657 30.722 1.00 41.43 C ATOM 1718 O LEU A 105 -11.114 -16.178 30.273 1.00 54.53 O ATOM 1719 CB LEU A 105 -10.086 -13.436 29.507 1.00 14.23 C ATOM 1720 CG LEU A 105 -9.465 -12.434 28.470 1.00 15.35 C ATOM 1721 CD1 LEU A 105 -9.732 -12.886 27.019 1.00 71.03 C ATOM 1722 CD2 LEU A 105 -9.939 -10.978 28.704 1.00 33.22 C ATOM 0 H LEU A 105 -9.537 -15.629 27.978 1.00 15.43 H new ATOM 0 HA LEU A 105 -8.357 -14.386 30.389 1.00 55.54 H new ATOM 0 HB2 LEU A 105 -11.055 -13.760 29.128 1.00 14.23 H new ATOM 0 HB3 LEU A 105 -10.271 -12.894 30.434 1.00 14.23 H new ATOM 0 HG LEU A 105 -8.387 -12.445 28.629 1.00 15.35 H new ATOM 0 HD11 LEU A 105 -9.288 -12.170 26.327 1.00 71.03 H new ATOM 0 HD12 LEU A 105 -9.290 -13.869 26.857 1.00 71.03 H new ATOM 0 HD13 LEU A 105 -10.807 -12.939 26.846 1.00 71.03 H new ATOM 0 HD21 LEU A 105 -9.482 -10.323 27.962 1.00 33.22 H new ATOM 0 HD22 LEU A 105 -11.024 -10.929 28.612 1.00 33.22 H new ATOM 0 HD23 LEU A 105 -9.645 -10.656 29.703 1.00 33.22 H new ATOM 1734 N GLU A 106 -9.610 -15.896 31.954 1.00 53.44 N ATOM 1735 CA GLU A 106 -10.358 -16.613 32.996 1.00 23.01 C ATOM 1736 C GLU A 106 -10.655 -15.640 34.146 1.00 73.04 C ATOM 1737 O GLU A 106 -9.785 -15.366 34.979 1.00 13.53 O ATOM 1738 CB GLU A 106 -9.564 -17.850 33.504 1.00 51.45 C ATOM 1739 CG GLU A 106 -9.360 -18.963 32.448 1.00 62.34 C ATOM 1740 CD GLU A 106 -10.688 -19.529 31.907 1.00 30.04 C ATOM 1741 OE1 GLU A 106 -11.421 -20.188 32.676 1.00 62.53 O ATOM 1742 OE2 GLU A 106 -11.015 -19.316 30.716 1.00 33.10 O ATOM 0 H GLU A 106 -8.685 -15.593 32.258 1.00 53.44 H new ATOM 0 HA GLU A 106 -11.295 -16.983 32.580 1.00 23.01 H new ATOM 0 HB2 GLU A 106 -8.587 -17.519 33.857 1.00 51.45 H new ATOM 0 HB3 GLU A 106 -10.086 -18.273 34.362 1.00 51.45 H new ATOM 0 HG2 GLU A 106 -8.775 -18.566 31.618 1.00 62.34 H new ATOM 0 HG3 GLU A 106 -8.779 -19.773 32.889 1.00 62.34 H new ATOM 1749 N HIS A 107 -11.880 -15.091 34.153 1.00 25.53 N ATOM 1750 CA HIS A 107 -12.332 -14.101 35.151 1.00 54.32 C ATOM 1751 C HIS A 107 -13.609 -14.634 35.828 1.00 53.33 C ATOM 1752 O HIS A 107 -14.719 -14.124 35.628 1.00 11.35 O ATOM 1753 CB HIS A 107 -12.536 -12.713 34.466 1.00 1.31 C ATOM 1754 CG HIS A 107 -12.731 -11.545 35.415 1.00 3.35 C ATOM 1755 ND1 HIS A 107 -11.692 -10.967 36.121 1.00 21.41 N ATOM 1756 CD2 HIS A 107 -13.837 -10.831 35.745 1.00 24.41 C ATOM 1757 CE1 HIS A 107 -12.152 -9.970 36.848 1.00 22.30 C ATOM 1758 NE2 HIS A 107 -13.447 -9.863 36.637 1.00 73.05 N ATOM 0 H HIS A 107 -12.593 -15.322 33.461 1.00 25.53 H new ATOM 0 HA HIS A 107 -11.581 -13.955 35.927 1.00 54.32 H new ATOM 0 HB2 HIS A 107 -11.671 -12.507 33.835 1.00 1.31 H new ATOM 0 HB3 HIS A 107 -13.403 -12.775 33.808 1.00 1.31 H new ATOM 0 HD2 HIS A 107 -14.838 -10.994 35.375 1.00 24.41 H new ATOM 0 HE1 HIS A 107 -11.566 -9.346 37.506 1.00 22.30 H new ATOM 0 HE2 HIS A 107 -14.062 -9.172 37.067 1.00 73.05 H new ATOM 1767 N HIS A 108 -13.418 -15.711 36.598 1.00 43.24 N ATOM 1768 CA HIS A 108 -14.477 -16.370 37.396 1.00 12.30 C ATOM 1769 C HIS A 108 -13.950 -16.549 38.837 1.00 51.31 C ATOM 1770 O HIS A 108 -14.171 -17.576 39.493 1.00 63.35 O ATOM 1771 CB HIS A 108 -14.880 -17.725 36.729 1.00 35.10 C ATOM 1772 CG HIS A 108 -15.997 -18.485 37.412 1.00 3.30 C ATOM 1773 ND1 HIS A 108 -15.808 -19.711 38.019 1.00 31.01 N ATOM 1774 CD2 HIS A 108 -17.305 -18.179 37.596 1.00 33.20 C ATOM 1775 CE1 HIS A 108 -16.945 -20.122 38.539 1.00 42.45 C ATOM 1776 NE2 HIS A 108 -17.864 -19.213 38.298 1.00 74.41 N ATOM 0 H HIS A 108 -12.508 -16.163 36.691 1.00 43.24 H new ATOM 0 HA HIS A 108 -15.381 -15.762 37.433 1.00 12.30 H new ATOM 0 HB2 HIS A 108 -15.176 -17.528 35.699 1.00 35.10 H new ATOM 0 HB3 HIS A 108 -13.999 -18.366 36.690 1.00 35.10 H new ATOM 0 HD2 HIS A 108 -17.810 -17.288 37.254 1.00 33.20 H new ATOM 0 HE1 HIS A 108 -17.097 -21.048 39.073 1.00 42.45 H new ATOM 0 HE2 HIS A 108 -18.840 -19.269 38.588 1.00 74.41 H new ATOM 1785 N HIS A 109 -13.234 -15.514 39.320 1.00 25.01 N ATOM 1786 CA HIS A 109 -12.763 -15.438 40.711 1.00 74.35 C ATOM 1787 C HIS A 109 -13.981 -15.194 41.624 1.00 14.45 C ATOM 1788 O HIS A 109 -14.354 -14.050 41.906 1.00 25.15 O ATOM 1789 CB HIS A 109 -11.681 -14.325 40.868 1.00 24.54 C ATOM 1790 CG HIS A 109 -10.978 -14.305 42.204 1.00 13.15 C ATOM 1791 ND1 HIS A 109 -9.861 -15.067 42.471 1.00 71.52 N ATOM 1792 CD2 HIS A 109 -11.227 -13.609 43.340 1.00 21.54 C ATOM 1793 CE1 HIS A 109 -9.462 -14.847 43.704 1.00 10.44 C ATOM 1794 NE2 HIS A 109 -10.273 -13.966 44.253 1.00 75.03 N ATOM 0 H HIS A 109 -12.968 -14.709 38.754 1.00 25.01 H new ATOM 0 HA HIS A 109 -12.287 -16.375 41.000 1.00 74.35 H new ATOM 0 HB2 HIS A 109 -10.935 -14.451 40.083 1.00 24.54 H new ATOM 0 HB3 HIS A 109 -12.152 -13.355 40.707 1.00 24.54 H new ATOM 0 HD2 HIS A 109 -12.030 -12.903 43.496 1.00 21.54 H new ATOM 0 HE1 HIS A 109 -8.613 -15.310 44.185 1.00 10.44 H new ATOM 0 HE2 HIS A 109 -10.201 -13.608 45.205 1.00 75.03 H new ATOM 1803 N HIS A 110 -14.629 -16.298 42.006 1.00 64.51 N ATOM 1804 CA HIS A 110 -15.825 -16.308 42.846 1.00 41.43 C ATOM 1805 C HIS A 110 -15.681 -17.476 43.812 1.00 31.35 C ATOM 1806 O HIS A 110 -15.902 -18.632 43.434 1.00 11.31 O ATOM 1807 CB HIS A 110 -17.112 -16.437 41.968 1.00 21.14 C ATOM 1808 CG HIS A 110 -18.431 -16.520 42.724 1.00 21.21 C ATOM 1809 ND1 HIS A 110 -19.354 -15.497 42.748 1.00 70.25 N ATOM 1810 CD2 HIS A 110 -19.003 -17.538 43.418 1.00 5.12 C ATOM 1811 CE1 HIS A 110 -20.419 -15.879 43.419 1.00 1.14 C ATOM 1812 NE2 HIS A 110 -20.232 -17.112 43.841 1.00 14.54 N ATOM 0 H HIS A 110 -14.327 -17.233 41.731 1.00 64.51 H new ATOM 0 HA HIS A 110 -15.924 -15.375 43.401 1.00 41.43 H new ATOM 0 HB2 HIS A 110 -17.155 -15.581 41.295 1.00 21.14 H new ATOM 0 HB3 HIS A 110 -17.016 -17.327 41.346 1.00 21.14 H new ATOM 0 HD2 HIS A 110 -18.566 -18.508 43.602 1.00 5.12 H new ATOM 0 HE1 HIS A 110 -21.301 -15.280 43.595 1.00 1.14 H new ATOM 0 HE2 HIS A 110 -20.894 -17.659 44.392 1.00 14.54 H new ATOM 1821 N HIS A 111 -15.219 -17.173 45.024 1.00 42.34 N ATOM 1822 CA HIS A 111 -15.141 -18.153 46.113 1.00 5.10 C ATOM 1823 C HIS A 111 -16.561 -18.410 46.671 1.00 73.41 C ATOM 1824 O HIS A 111 -17.026 -19.553 46.701 1.00 31.03 O ATOM 1825 CB HIS A 111 -14.150 -17.665 47.221 1.00 74.11 C ATOM 1826 CG HIS A 111 -14.502 -16.355 47.903 1.00 72.33 C ATOM 1827 ND1 HIS A 111 -15.075 -16.289 49.154 1.00 51.31 N ATOM 1828 CD2 HIS A 111 -14.380 -15.070 47.489 1.00 54.44 C ATOM 1829 CE1 HIS A 111 -15.283 -15.029 49.478 1.00 12.41 C ATOM 1830 NE2 HIS A 111 -14.871 -14.271 48.485 1.00 14.40 N ATOM 0 H HIS A 111 -14.888 -16.243 45.281 1.00 42.34 H new ATOM 0 HA HIS A 111 -14.749 -19.097 45.734 1.00 5.10 H new ATOM 0 HB2 HIS A 111 -14.079 -18.441 47.984 1.00 74.11 H new ATOM 0 HB3 HIS A 111 -13.160 -17.565 46.776 1.00 74.11 H new ATOM 0 HD2 HIS A 111 -13.971 -14.738 46.546 1.00 54.44 H new ATOM 0 HE1 HIS A 111 -15.718 -14.678 50.402 1.00 12.41 H new ATOM 0 HE2 HIS A 111 -14.911 -13.252 48.461 1.00 14.40 H new ATOM 1839 N HIS A 112 -17.241 -17.309 47.048 1.00 62.33 N ATOM 1840 CA HIS A 112 -18.619 -17.277 47.574 1.00 43.44 C ATOM 1841 C HIS A 112 -19.070 -15.800 47.547 1.00 35.42 C ATOM 1842 O HIS A 112 -18.621 -15.027 48.420 1.00 31.31 O ATOM 1843 CB HIS A 112 -18.749 -17.861 49.031 1.00 42.41 C ATOM 1844 CG HIS A 112 -18.821 -19.362 49.114 1.00 30.30 C ATOM 1845 ND1 HIS A 112 -17.883 -20.138 49.765 1.00 12.11 N ATOM 1846 CD2 HIS A 112 -19.729 -20.229 48.603 1.00 63.02 C ATOM 1847 CE1 HIS A 112 -18.212 -21.407 49.646 1.00 13.23 C ATOM 1848 NE2 HIS A 112 -19.327 -21.488 48.947 1.00 14.23 N ATOM 1849 OXT HIS A 112 -19.821 -15.405 46.638 1.00 38.50 O ATOM 0 H HIS A 112 -16.827 -16.379 46.992 1.00 62.33 H new ATOM 0 HA HIS A 112 -19.250 -17.913 46.953 1.00 43.44 H new ATOM 0 HB2 HIS A 112 -17.897 -17.521 49.619 1.00 42.41 H new ATOM 0 HB3 HIS A 112 -19.643 -17.444 49.494 1.00 42.41 H new ATOM 0 HD2 HIS A 112 -20.608 -19.972 48.030 1.00 63.02 H new ATOM 0 HE1 HIS A 112 -17.661 -22.242 50.053 1.00 13.23 H new ATOM 0 HE2 HIS A 112 -19.811 -22.352 48.703 1.00 14.23 H new TER 1858 HIS A 112