USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1009 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 116 SER OG : rot -128:sc= 1.11 USER MOD Set 1.2: A 118 THR OG1 : rot 145:sc= 1.19 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -1.63 K(o=-1.7,f=-4!) USER MOD Set 2.2: A 100 MET CE :methyl -173:sc= -0.0859 (180deg=-0.26) USER MOD Set 2.3: A 112 MET CE :methyl 133:sc= -0.0229 (180deg=-0.104) USER MOD Set 3.1: A 23 GLN : amide:sc= 0.523 K(o=1.8,f=-8.6!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ -179:sc= 1.31 (180deg=0.158) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.412 F(o=-2,f=-0.41) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 82:sc= 0.989 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.485 F(o=-2.7,f=-0.49) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0704 (180deg=-0.513) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0.637 (180deg=0.592) USER MOD Single : A 44 THR OG1 : rot 83:sc= 0.342 USER MOD Single : A 56 HIS : no HE2:sc= 0.226 K(o=0.23,f=-0.98) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0.77 (180deg=0.748) USER MOD Single : A 65 GLN : amide:sc= -0.628 K(o=-0.63,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -127:sc= 0 (180deg=-0.654) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -117:sc=-0.000767 (180deg=-1.36) USER MOD Single : A 73 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.41) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= -0.879 (180deg=-2.99!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.4!) USER MOD Single : A 84 MET CE :methyl 180:sc= -0.531 (180deg=-0.531) USER MOD Single : A 86 LYS NZ :NH3+ -140:sc= 0.557 (180deg=-0.052) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= -0.262 (180deg=-0.912) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -23:sc= 0.383 USER MOD Single : A 101 THR OG1 : rot -71:sc= 0.792 USER MOD Single : A 107 MET CE :methyl 178:sc= -0.0644 (180deg=-0.0838) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 149:sc= -0.742 (180deg=-2.06!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.623 -21.466 16.919 1.00 0.00 N ATOM 2 CA MET A 1 -3.588 -19.988 16.830 1.00 0.00 C ATOM 3 C MET A 1 -2.368 -19.573 15.981 1.00 0.00 C ATOM 4 O MET A 1 -1.248 -19.498 16.493 1.00 0.00 O ATOM 5 CB MET A 1 -3.538 -19.376 18.264 1.00 0.00 C ATOM 6 CG MET A 1 -3.617 -17.846 18.325 1.00 0.00 C ATOM 7 SD MET A 1 -3.499 -17.214 20.016 1.00 0.00 S ATOM 8 CE MET A 1 -3.597 -15.437 19.762 1.00 0.00 C ATOM 0 H1 MET A 1 -4.441 -21.760 17.489 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.704 -21.869 15.964 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.749 -21.808 17.366 1.00 0.00 H new ATOM 0 HA MET A 1 -4.488 -19.609 16.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.361 -19.790 18.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.614 -19.695 18.746 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.814 -17.420 17.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.556 -17.516 17.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.536 -14.928 20.724 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.771 -15.114 19.128 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.543 -15.190 19.280 1.00 0.00 H new ATOM 18 N LYS A 2 -2.597 -19.356 14.669 1.00 0.00 N ATOM 19 CA LYS A 2 -1.527 -19.093 13.686 1.00 0.00 C ATOM 20 C LYS A 2 -2.127 -18.436 12.415 1.00 0.00 C ATOM 21 O LYS A 2 -1.714 -17.339 12.010 1.00 0.00 O ATOM 22 CB LYS A 2 -0.792 -20.428 13.353 1.00 0.00 C ATOM 23 CG LYS A 2 0.434 -20.299 12.422 1.00 0.00 C ATOM 24 CD LYS A 2 1.200 -21.631 12.249 1.00 0.00 C ATOM 25 CE LYS A 2 2.491 -21.472 11.425 1.00 0.00 C ATOM 26 NZ LYS A 2 3.294 -22.722 11.398 1.00 0.00 N ATOM 0 H LYS A 2 -3.532 -19.358 14.261 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.798 -18.398 14.104 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.470 -20.888 14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.506 -21.110 12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.106 -19.944 11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.111 -19.545 12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.448 -22.033 13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.550 -22.358 11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.236 -21.183 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.091 -20.665 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.154 -22.570 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.560 -22.985 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.731 -23.487 10.974 1.00 0.00 H new ATOM 40 N GLU A 3 -3.115 -19.135 11.814 1.00 0.00 N ATOM 41 CA GLU A 3 -3.936 -18.660 10.668 1.00 0.00 C ATOM 42 C GLU A 3 -3.090 -18.250 9.424 1.00 0.00 C ATOM 43 O GLU A 3 -2.660 -19.123 8.664 1.00 0.00 O ATOM 44 CB GLU A 3 -4.941 -17.529 11.084 1.00 0.00 C ATOM 45 CG GLU A 3 -6.055 -17.937 12.079 1.00 0.00 C ATOM 46 CD GLU A 3 -5.538 -18.321 13.476 1.00 0.00 C ATOM 47 OE1 GLU A 3 -5.052 -17.427 14.211 1.00 0.00 O ATOM 48 OE2 GLU A 3 -5.588 -19.517 13.843 1.00 0.00 O ATOM 0 H GLU A 3 -3.374 -20.073 12.119 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.526 -19.523 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.372 -16.710 11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.413 -17.141 10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.759 -17.111 12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.608 -18.779 11.664 1.00 0.00 H new ATOM 55 N VAL A 4 -2.831 -16.926 9.236 1.00 0.00 N ATOM 56 CA VAL A 4 -2.269 -16.362 7.968 1.00 0.00 C ATOM 57 C VAL A 4 -1.125 -15.369 8.296 1.00 0.00 C ATOM 58 O VAL A 4 -1.243 -14.628 9.255 1.00 0.00 O ATOM 59 CB VAL A 4 -3.378 -15.603 7.127 1.00 0.00 C ATOM 60 CG1 VAL A 4 -2.941 -15.414 5.665 1.00 0.00 C ATOM 61 CG2 VAL A 4 -4.766 -16.287 7.200 1.00 0.00 C ATOM 0 H VAL A 4 -3.003 -16.221 9.952 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.891 -17.195 7.376 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.486 -14.621 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.724 -14.890 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.022 -14.829 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.767 -16.388 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.482 -15.721 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.692 -17.302 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.101 -16.320 8.237 1.00 0.00 H new ATOM 71 N GLU A 5 -0.020 -15.370 7.507 1.00 0.00 N ATOM 72 CA GLU A 5 1.153 -14.462 7.718 1.00 0.00 C ATOM 73 C GLU A 5 0.813 -12.940 7.727 1.00 0.00 C ATOM 74 O GLU A 5 1.528 -12.161 8.364 1.00 0.00 O ATOM 75 CB GLU A 5 2.276 -14.772 6.674 1.00 0.00 C ATOM 76 CG GLU A 5 2.039 -14.276 5.225 1.00 0.00 C ATOM 77 CD GLU A 5 0.775 -14.851 4.556 1.00 0.00 C ATOM 78 OE1 GLU A 5 0.769 -16.047 4.202 1.00 0.00 O ATOM 79 OE2 GLU A 5 -0.217 -14.107 4.383 1.00 0.00 O ATOM 0 H GLU A 5 0.089 -15.995 6.708 1.00 0.00 H new ATOM 0 HA GLU A 5 1.508 -14.678 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.206 -14.333 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.423 -15.852 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.969 -13.188 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.907 -14.535 4.618 1.00 0.00 H new ATOM 86 N LYS A 6 -0.206 -12.530 6.937 1.00 0.00 N ATOM 87 CA LYS A 6 -0.723 -11.121 6.980 1.00 0.00 C ATOM 88 C LYS A 6 -1.071 -10.702 8.446 1.00 0.00 C ATOM 89 O LYS A 6 -0.836 -9.555 8.859 1.00 0.00 O ATOM 90 CB LYS A 6 -1.975 -10.966 6.064 1.00 0.00 C ATOM 91 CG LYS A 6 -3.194 -11.811 6.494 1.00 0.00 C ATOM 92 CD LYS A 6 -4.433 -11.600 5.599 1.00 0.00 C ATOM 93 CE LYS A 6 -5.633 -12.464 6.041 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.832 -12.232 5.200 1.00 0.00 N ATOM 0 H LYS A 6 -0.686 -13.134 6.270 1.00 0.00 H new ATOM 0 HA LYS A 6 0.063 -10.462 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.266 -9.916 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.700 -11.240 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.919 -12.866 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.453 -11.564 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.719 -10.548 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.177 -11.839 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.357 -13.517 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.873 -12.244 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.612 -12.833 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.113 -11.233 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.613 -12.467 4.211 1.00 0.00 H new ATOM 108 N ASN A 7 -1.624 -11.694 9.183 1.00 0.00 N ATOM 109 CA ASN A 7 -1.912 -11.516 10.631 1.00 0.00 C ATOM 110 C ASN A 7 -0.614 -11.221 11.416 1.00 0.00 C ATOM 111 O ASN A 7 -0.619 -10.419 12.365 1.00 0.00 O ATOM 112 CB ASN A 7 -2.619 -12.749 11.258 1.00 0.00 C ATOM 113 CG ASN A 7 -3.892 -13.177 10.534 1.00 0.00 C ATOM 114 OD1 ASN A 7 -4.231 -14.447 10.618 1.00 0.00 O flip ATOM 115 ND2 ASN A 7 -4.568 -12.376 9.911 1.00 0.00 N flip ATOM 0 H ASN A 7 -1.876 -12.609 8.811 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.592 -10.667 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.922 -13.587 11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.863 -12.524 12.296 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.283 -11.398 9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.418 -12.684 9.439 1.00 0.00 H new ATOM 122 N GLU A 8 0.523 -11.827 10.993 1.00 0.00 N ATOM 123 CA GLU A 8 1.812 -11.662 11.687 1.00 0.00 C ATOM 124 C GLU A 8 2.480 -10.323 11.366 1.00 0.00 C ATOM 125 O GLU A 8 3.186 -9.786 12.228 1.00 0.00 O ATOM 126 CB GLU A 8 2.797 -12.828 11.379 1.00 0.00 C ATOM 127 CG GLU A 8 2.505 -14.133 12.132 1.00 0.00 C ATOM 128 CD GLU A 8 1.216 -14.852 11.691 1.00 0.00 C ATOM 129 OE1 GLU A 8 0.131 -14.582 12.253 1.00 0.00 O ATOM 130 OE2 GLU A 8 1.301 -15.724 10.814 1.00 0.00 O ATOM 0 H GLU A 8 0.567 -12.433 10.174 1.00 0.00 H new ATOM 0 HA GLU A 8 1.577 -11.679 12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.775 -13.030 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.809 -12.504 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.348 -14.811 11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.438 -13.915 13.198 1.00 0.00 H new ATOM 137 N ILE A 9 2.315 -9.761 10.149 1.00 0.00 N ATOM 138 CA ILE A 9 2.782 -8.399 9.845 1.00 0.00 C ATOM 139 C ILE A 9 1.955 -7.372 10.627 1.00 0.00 C ATOM 140 O ILE A 9 2.498 -6.408 11.172 1.00 0.00 O ATOM 141 CB ILE A 9 2.724 -8.103 8.296 1.00 0.00 C ATOM 142 CG1 ILE A 9 3.465 -9.223 7.474 1.00 0.00 C ATOM 143 CG2 ILE A 9 3.295 -6.700 7.970 1.00 0.00 C ATOM 144 CD1 ILE A 9 4.929 -9.458 7.849 1.00 0.00 C ATOM 0 H ILE A 9 1.862 -10.232 9.365 1.00 0.00 H new ATOM 0 HA ILE A 9 3.824 -8.320 10.154 1.00 0.00 H new ATOM 0 HB ILE A 9 1.676 -8.111 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.922 -10.160 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.416 -8.965 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.241 -6.526 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.712 -5.940 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.334 -6.646 8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.343 -10.249 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.496 -8.540 7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.993 -9.753 8.896 1.00 0.00 H new ATOM 156 N LYS A 10 0.642 -7.638 10.713 1.00 0.00 N ATOM 157 CA LYS A 10 -0.290 -6.855 11.542 1.00 0.00 C ATOM 158 C LYS A 10 0.149 -6.909 13.026 1.00 0.00 C ATOM 159 O LYS A 10 -0.019 -5.939 13.756 1.00 0.00 O ATOM 160 CB LYS A 10 -1.729 -7.407 11.365 1.00 0.00 C ATOM 161 CG LYS A 10 -2.808 -6.688 12.207 1.00 0.00 C ATOM 162 CD LYS A 10 -4.195 -7.362 12.123 1.00 0.00 C ATOM 163 CE LYS A 10 -4.787 -7.350 10.710 1.00 0.00 C ATOM 164 NZ LYS A 10 -6.074 -8.083 10.650 1.00 0.00 N ATOM 0 H LYS A 10 0.195 -8.404 10.209 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.277 -5.812 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.003 -7.336 10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.731 -8.466 11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.488 -6.660 13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.893 -5.654 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.112 -8.393 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.880 -6.854 12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.939 -6.320 10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.079 -7.800 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.445 -8.054 9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.924 -9.072 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.757 -7.638 11.295 1.00 0.00 H new ATOM 178 N ARG A 11 0.779 -8.044 13.410 1.00 0.00 N ATOM 179 CA ARG A 11 1.273 -8.288 14.782 1.00 0.00 C ATOM 180 C ARG A 11 2.550 -7.464 15.111 1.00 0.00 C ATOM 181 O ARG A 11 2.655 -6.913 16.210 1.00 0.00 O ATOM 182 CB ARG A 11 1.512 -9.804 14.993 1.00 0.00 C ATOM 183 CG ARG A 11 2.152 -10.208 16.341 1.00 0.00 C ATOM 184 CD ARG A 11 2.017 -11.717 16.612 1.00 0.00 C ATOM 185 NE ARG A 11 0.591 -12.123 16.685 1.00 0.00 N ATOM 186 CZ ARG A 11 -0.044 -12.945 15.823 1.00 0.00 C ATOM 187 NH1 ARG A 11 0.633 -13.622 14.911 1.00 0.00 N ATOM 188 NH2 ARG A 11 -1.360 -13.092 15.918 1.00 0.00 N ATOM 0 H ARG A 11 0.959 -8.819 12.772 1.00 0.00 H new ATOM 0 HA ARG A 11 0.505 -7.948 15.477 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.556 -10.319 14.899 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.150 -10.167 14.187 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.207 -9.933 16.339 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.679 -9.650 17.149 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.518 -12.277 15.822 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.518 -11.968 17.547 1.00 0.00 H new ATOM 0 HE ARG A 11 0.041 -11.746 17.457 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.647 -13.526 14.853 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.141 -14.240 14.265 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.879 -12.587 16.636 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.852 -13.710 15.273 1.00 0.00 H new ATOM 202 N LEU A 12 3.542 -7.414 14.194 1.00 0.00 N ATOM 203 CA LEU A 12 4.771 -6.592 14.409 1.00 0.00 C ATOM 204 C LEU A 12 4.461 -5.069 14.326 1.00 0.00 C ATOM 205 O LEU A 12 4.966 -4.286 15.142 1.00 0.00 O ATOM 206 CB LEU A 12 5.935 -7.047 13.459 1.00 0.00 C ATOM 207 CG LEU A 12 5.656 -7.070 11.912 1.00 0.00 C ATOM 208 CD1 LEU A 12 6.057 -5.749 11.213 1.00 0.00 C ATOM 209 CD2 LEU A 12 6.328 -8.289 11.232 1.00 0.00 C ATOM 0 H LEU A 12 3.525 -7.921 13.309 1.00 0.00 H new ATOM 0 HA LEU A 12 5.126 -6.767 15.425 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.787 -6.390 13.635 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.239 -8.050 13.759 1.00 0.00 H new ATOM 0 HG LEU A 12 4.577 -7.171 11.796 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.842 -5.822 10.147 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.489 -4.923 11.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.123 -5.570 11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.114 -8.273 10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.406 -8.244 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.937 -9.209 11.666 1.00 0.00 H new ATOM 221 N SER A 13 3.689 -4.661 13.289 1.00 0.00 N ATOM 222 CA SER A 13 2.997 -3.329 13.270 1.00 0.00 C ATOM 223 C SER A 13 2.303 -3.030 14.626 1.00 0.00 C ATOM 224 O SER A 13 2.483 -1.970 15.197 1.00 0.00 O ATOM 225 CB SER A 13 1.950 -3.289 12.138 1.00 0.00 C ATOM 226 OG SER A 13 2.532 -3.619 10.894 1.00 0.00 O ATOM 0 H SER A 13 3.525 -5.225 12.455 1.00 0.00 H new ATOM 0 HA SER A 13 3.756 -2.566 13.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.142 -3.986 12.361 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.507 -2.295 12.083 1.00 0.00 H new ATOM 0 HG SER A 13 2.589 -4.594 10.808 1.00 0.00 H new ATOM 232 N ASP A 14 1.612 -4.072 15.122 1.00 0.00 N ATOM 233 CA ASP A 14 0.860 -3.981 16.409 1.00 0.00 C ATOM 234 C ASP A 14 1.852 -3.681 17.571 1.00 0.00 C ATOM 235 O ASP A 14 1.572 -2.861 18.441 1.00 0.00 O ATOM 236 CB ASP A 14 0.019 -5.244 16.717 1.00 0.00 C ATOM 237 CG ASP A 14 -0.945 -5.069 17.904 1.00 0.00 C ATOM 238 OD1 ASP A 14 -1.955 -4.345 17.756 1.00 0.00 O ATOM 239 OD2 ASP A 14 -0.696 -5.634 18.991 1.00 0.00 O ATOM 0 H ASP A 14 1.552 -4.982 14.665 1.00 0.00 H new ATOM 0 HA ASP A 14 0.146 -3.164 16.309 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.555 -5.513 15.830 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.692 -6.076 16.926 1.00 0.00 H new ATOM 244 N ARG A 15 3.044 -4.306 17.480 1.00 0.00 N ATOM 245 CA ARG A 15 4.133 -4.141 18.464 1.00 0.00 C ATOM 246 C ARG A 15 4.737 -2.706 18.470 1.00 0.00 C ATOM 247 O ARG A 15 4.783 -2.077 19.532 1.00 0.00 O ATOM 248 CB ARG A 15 5.242 -5.210 18.241 1.00 0.00 C ATOM 249 CG ARG A 15 6.461 -5.105 19.188 1.00 0.00 C ATOM 250 CD ARG A 15 6.110 -5.188 20.683 1.00 0.00 C ATOM 251 NE ARG A 15 7.316 -4.994 21.523 1.00 0.00 N ATOM 252 CZ ARG A 15 7.393 -4.229 22.624 1.00 0.00 C ATOM 253 NH1 ARG A 15 6.335 -3.565 23.075 1.00 0.00 N ATOM 254 NH2 ARG A 15 8.538 -4.135 23.284 1.00 0.00 N ATOM 0 H ARG A 15 3.279 -4.942 16.718 1.00 0.00 H new ATOM 0 HA ARG A 15 3.689 -4.291 19.448 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.798 -6.199 18.355 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.594 -5.135 17.212 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.163 -5.903 18.947 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.973 -4.162 18.999 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.366 -4.430 20.928 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.662 -6.157 20.902 1.00 0.00 H new ATOM 0 HE ARG A 15 8.163 -5.486 21.239 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.444 -3.631 22.583 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.414 -2.989 23.913 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.359 -4.643 22.956 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.598 -3.554 24.120 1.00 0.00 H new ATOM 268 N LEU A 16 5.250 -2.190 17.327 1.00 0.00 N ATOM 269 CA LEU A 16 5.916 -0.859 17.270 1.00 0.00 C ATOM 270 C LEU A 16 4.869 0.278 17.431 1.00 0.00 C ATOM 271 O LEU A 16 5.142 1.295 18.058 1.00 0.00 O ATOM 272 CB LEU A 16 6.700 -0.733 15.914 1.00 0.00 C ATOM 273 CG LEU A 16 8.026 0.109 15.907 1.00 0.00 C ATOM 274 CD1 LEU A 16 7.800 1.607 16.207 1.00 0.00 C ATOM 275 CD2 LEU A 16 9.067 -0.506 16.866 1.00 0.00 C ATOM 0 H LEU A 16 5.217 -2.673 16.429 1.00 0.00 H new ATOM 0 HA LEU A 16 6.625 -0.766 18.092 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.941 -1.740 15.573 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.025 -0.299 15.176 1.00 0.00 H new ATOM 0 HG LEU A 16 8.418 0.065 14.891 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.756 2.130 16.187 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.137 2.033 15.454 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.347 1.716 17.192 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.978 0.092 16.846 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.665 -0.521 17.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.295 -1.524 16.551 1.00 0.00 H new ATOM 287 N ASP A 17 3.714 0.093 16.769 1.00 0.00 N ATOM 288 CA ASP A 17 2.516 0.965 16.982 1.00 0.00 C ATOM 289 C ASP A 17 2.172 1.054 18.494 1.00 0.00 C ATOM 290 O ASP A 17 1.799 2.118 18.985 1.00 0.00 O ATOM 291 CB ASP A 17 1.275 0.525 16.160 1.00 0.00 C ATOM 292 CG ASP A 17 0.090 1.511 16.261 1.00 0.00 C ATOM 293 OD1 ASP A 17 0.220 2.654 15.768 1.00 0.00 O ATOM 294 OD2 ASP A 17 -0.963 1.158 16.836 1.00 0.00 O ATOM 0 H ASP A 17 3.572 -0.647 16.081 1.00 0.00 H new ATOM 0 HA ASP A 17 2.786 1.954 16.613 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.561 0.418 15.114 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.951 -0.457 16.504 1.00 0.00 H new ATOM 299 N ALA A 18 2.356 -0.072 19.210 1.00 0.00 N ATOM 300 CA ALA A 18 2.236 -0.130 20.679 1.00 0.00 C ATOM 301 C ALA A 18 3.410 0.606 21.379 1.00 0.00 C ATOM 302 O ALA A 18 3.219 1.146 22.464 1.00 0.00 O ATOM 303 CB ALA A 18 2.125 -1.573 21.183 1.00 0.00 C ATOM 0 H ALA A 18 2.592 -0.968 18.785 1.00 0.00 H new ATOM 0 HA ALA A 18 1.312 0.387 20.940 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.038 -1.573 22.270 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.243 -2.043 20.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.015 -2.130 20.890 1.00 0.00 H new ATOM 309 N ILE A 19 4.620 0.597 20.765 1.00 0.00 N ATOM 310 CA ILE A 19 5.823 1.298 21.310 1.00 0.00 C ATOM 311 C ILE A 19 5.713 2.842 21.157 1.00 0.00 C ATOM 312 O ILE A 19 6.005 3.553 22.113 1.00 0.00 O ATOM 313 CB ILE A 19 7.192 0.768 20.709 1.00 0.00 C ATOM 314 CG1 ILE A 19 7.417 -0.726 21.123 1.00 0.00 C ATOM 315 CG2 ILE A 19 8.404 1.651 21.144 1.00 0.00 C ATOM 316 CD1 ILE A 19 8.757 -1.321 20.706 1.00 0.00 C ATOM 0 H ILE A 19 4.794 0.110 19.886 1.00 0.00 H new ATOM 0 HA ILE A 19 5.838 1.058 22.373 1.00 0.00 H new ATOM 0 HB ILE A 19 7.125 0.832 19.623 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.325 -0.804 22.206 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.619 -1.330 20.691 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.320 1.251 20.709 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.253 2.673 20.796 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.486 1.646 22.231 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.814 -2.357 21.039 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.850 -1.283 19.621 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.566 -0.749 21.160 1.00 0.00 H new ATOM 328 N ARG A 20 5.351 3.380 19.971 1.00 0.00 N ATOM 329 CA ARG A 20 5.022 4.818 19.801 1.00 0.00 C ATOM 330 C ARG A 20 3.748 5.230 20.568 1.00 0.00 C ATOM 331 O ARG A 20 3.597 6.387 20.901 1.00 0.00 O ATOM 332 CB ARG A 20 4.861 5.178 18.296 1.00 0.00 C ATOM 333 CG ARG A 20 3.797 4.346 17.537 1.00 0.00 C ATOM 334 CD ARG A 20 3.091 5.130 16.415 1.00 0.00 C ATOM 335 NE ARG A 20 2.359 6.284 16.966 1.00 0.00 N ATOM 336 CZ ARG A 20 1.077 6.270 17.380 1.00 0.00 C ATOM 337 NH1 ARG A 20 0.316 5.196 17.227 1.00 0.00 N ATOM 338 NH2 ARG A 20 0.566 7.349 17.953 1.00 0.00 N ATOM 0 H ARG A 20 5.278 2.838 19.110 1.00 0.00 H new ATOM 0 HA ARG A 20 5.859 5.374 20.222 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.601 6.233 18.216 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.824 5.048 17.801 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.274 3.464 17.109 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.050 3.991 18.247 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.826 5.473 15.687 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.400 4.474 15.886 1.00 0.00 H new ATOM 0 HE ARG A 20 2.865 7.167 17.040 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.698 4.358 16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.652 5.207 17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.142 8.181 18.078 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.404 7.348 18.270 1.00 0.00 H new ATOM 352 N HIS A 21 2.838 4.269 20.782 1.00 0.00 N ATOM 353 CA HIS A 21 1.665 4.450 21.684 1.00 0.00 C ATOM 354 C HIS A 21 2.174 4.624 23.132 1.00 0.00 C ATOM 355 O HIS A 21 1.734 5.496 23.884 1.00 0.00 O ATOM 356 CB HIS A 21 0.703 3.250 21.600 1.00 0.00 C ATOM 357 CG HIS A 21 -0.627 3.466 22.264 1.00 0.00 C ATOM 358 ND1 HIS A 21 -0.975 2.887 23.464 1.00 0.00 N ATOM 359 CD2 HIS A 21 -1.698 4.197 21.880 1.00 0.00 C ATOM 360 CE1 HIS A 21 -2.196 3.249 23.786 1.00 0.00 C ATOM 361 NE2 HIS A 21 -2.658 4.044 22.842 1.00 0.00 N ATOM 0 H HIS A 21 2.883 3.349 20.345 1.00 0.00 H new ATOM 0 HA HIS A 21 1.112 5.336 21.372 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.535 3.009 20.550 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.184 2.383 22.053 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.780 4.791 20.982 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.731 2.946 24.674 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.582 4.475 22.831 1.00 0.00 H new ATOM 370 N GLN A 22 3.162 3.795 23.439 1.00 0.00 N ATOM 371 CA GLN A 22 3.823 3.741 24.744 1.00 0.00 C ATOM 372 C GLN A 22 4.621 5.017 25.032 1.00 0.00 C ATOM 373 O GLN A 22 4.522 5.545 26.118 1.00 0.00 O ATOM 374 CB GLN A 22 4.720 2.492 24.810 1.00 0.00 C ATOM 375 CG GLN A 22 5.635 2.394 26.030 1.00 0.00 C ATOM 376 CD GLN A 22 6.432 1.103 26.071 1.00 0.00 C ATOM 377 OE1 GLN A 22 6.866 0.617 24.905 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 6.708 0.578 27.146 1.00 0.00 N flip ATOM 0 H GLN A 22 3.539 3.122 22.772 1.00 0.00 H new ATOM 0 HA GLN A 22 3.059 3.673 25.518 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.082 1.608 24.786 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.338 2.464 23.913 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.323 3.239 26.030 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.034 2.472 26.936 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.357 0.980 28.015 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.289 -0.260 27.170 1.00 0.00 H new ATOM 387 N GLN A 23 5.372 5.527 24.043 1.00 0.00 N ATOM 388 CA GLN A 23 6.224 6.734 24.207 1.00 0.00 C ATOM 389 C GLN A 23 5.398 8.016 23.908 1.00 0.00 C ATOM 390 O GLN A 23 5.857 9.136 24.092 1.00 0.00 O ATOM 391 CB GLN A 23 7.467 6.636 23.287 1.00 0.00 C ATOM 392 CG GLN A 23 8.450 5.513 23.686 1.00 0.00 C ATOM 393 CD GLN A 23 9.655 5.366 22.743 1.00 0.00 C ATOM 394 OE1 GLN A 23 9.551 5.596 21.541 1.00 0.00 O ATOM 395 NE2 GLN A 23 10.813 5.007 23.287 1.00 0.00 N ATOM 0 H GLN A 23 5.412 5.122 23.108 1.00 0.00 H new ATOM 0 HA GLN A 23 6.572 6.792 25.238 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.137 6.470 22.262 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.994 7.590 23.301 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.814 5.706 24.695 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.910 4.567 23.717 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.870 4.822 24.288 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.644 4.916 22.703 1.00 0.00 H new ATOM 404 N ALA A 24 4.239 7.799 23.279 1.00 0.00 N ATOM 405 CA ALA A 24 3.119 8.777 23.319 1.00 0.00 C ATOM 406 C ALA A 24 2.641 8.972 24.777 1.00 0.00 C ATOM 407 O ALA A 24 2.337 10.087 25.201 1.00 0.00 O ATOM 408 CB ALA A 24 1.945 8.371 22.423 1.00 0.00 C ATOM 0 H ALA A 24 4.040 6.960 22.734 1.00 0.00 H new ATOM 0 HA ALA A 24 3.501 9.720 22.927 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.158 9.122 22.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.285 8.296 21.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.556 7.406 22.748 1.00 0.00 H new ATOM 414 N ASP A 25 2.573 7.851 25.511 1.00 0.00 N ATOM 415 CA ASP A 25 2.210 7.884 26.952 1.00 0.00 C ATOM 416 C ASP A 25 3.442 8.138 27.869 1.00 0.00 C ATOM 417 O ASP A 25 3.277 8.500 29.035 1.00 0.00 O ATOM 418 CB ASP A 25 1.479 6.579 27.353 1.00 0.00 C ATOM 419 CG ASP A 25 0.065 6.479 26.745 1.00 0.00 C ATOM 420 OD1 ASP A 25 -0.776 7.364 27.034 1.00 0.00 O ATOM 421 OD2 ASP A 25 -0.223 5.533 25.972 1.00 0.00 O ATOM 0 H ASP A 25 2.760 6.918 25.145 1.00 0.00 H new ATOM 0 HA ASP A 25 1.534 8.726 27.098 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.070 5.722 27.030 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.408 6.526 28.439 1.00 0.00 H new ATOM 426 N LEU A 26 4.666 7.942 27.334 1.00 0.00 N ATOM 427 CA LEU A 26 5.928 8.129 28.127 1.00 0.00 C ATOM 428 C LEU A 26 6.802 9.259 27.571 1.00 0.00 C ATOM 429 O LEU A 26 6.607 9.725 26.462 1.00 0.00 O ATOM 430 CB LEU A 26 6.767 6.826 28.193 1.00 0.00 C ATOM 431 CG LEU A 26 6.069 5.597 28.843 1.00 0.00 C ATOM 432 CD1 LEU A 26 7.022 4.398 28.927 1.00 0.00 C ATOM 433 CD2 LEU A 26 5.466 5.940 30.223 1.00 0.00 C ATOM 0 H LEU A 26 4.820 7.657 26.367 1.00 0.00 H new ATOM 0 HA LEU A 26 5.607 8.399 29.133 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.063 6.556 27.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.682 7.034 28.748 1.00 0.00 H new ATOM 0 HG LEU A 26 5.239 5.316 28.195 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.506 3.554 29.386 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.349 4.122 27.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.890 4.664 29.531 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.988 5.054 30.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.258 6.276 30.893 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.726 6.732 30.110 1.00 0.00 H new ATOM 445 N SER A 27 7.740 9.721 28.403 1.00 0.00 N ATOM 446 CA SER A 27 8.755 10.698 27.993 1.00 0.00 C ATOM 447 C SER A 27 10.127 10.296 28.549 1.00 0.00 C ATOM 448 O SER A 27 10.222 9.588 29.561 1.00 0.00 O ATOM 449 CB SER A 27 8.358 12.118 28.449 1.00 0.00 C ATOM 450 OG SER A 27 9.343 13.084 28.109 1.00 0.00 O ATOM 0 H SER A 27 7.818 9.430 29.377 1.00 0.00 H new ATOM 0 HA SER A 27 8.818 10.707 26.905 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.408 12.393 27.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.204 12.122 29.528 1.00 0.00 H new ATOM 0 HG SER A 27 9.052 13.969 28.414 1.00 0.00 H new ATOM 456 N LEU A 28 11.186 10.763 27.871 1.00 0.00 N ATOM 457 CA LEU A 28 12.580 10.463 28.226 1.00 0.00 C ATOM 458 C LEU A 28 12.986 11.082 29.583 1.00 0.00 C ATOM 459 O LEU A 28 13.742 10.465 30.343 1.00 0.00 O ATOM 460 CB LEU A 28 13.554 10.843 27.040 1.00 0.00 C ATOM 461 CG LEU A 28 13.866 12.347 26.671 1.00 0.00 C ATOM 462 CD1 LEU A 28 12.609 13.224 26.547 1.00 0.00 C ATOM 463 CD2 LEU A 28 14.921 12.971 27.606 1.00 0.00 C ATOM 0 H LEU A 28 11.097 11.366 27.053 1.00 0.00 H new ATOM 0 HA LEU A 28 12.669 9.386 28.371 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.510 10.365 27.251 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.155 10.374 26.141 1.00 0.00 H new ATOM 0 HG LEU A 28 14.301 12.317 25.672 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.900 14.243 26.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.963 12.825 25.765 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.072 13.227 27.496 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.101 14.005 27.312 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.558 12.944 28.633 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.850 12.406 27.534 1.00 0.00 H new ATOM 475 N VAL A 29 12.443 12.283 29.885 1.00 0.00 N ATOM 476 CA VAL A 29 12.798 13.061 31.104 1.00 0.00 C ATOM 477 C VAL A 29 12.220 12.394 32.376 1.00 0.00 C ATOM 478 O VAL A 29 12.825 12.446 33.453 1.00 0.00 O ATOM 479 CB VAL A 29 12.294 14.561 31.008 1.00 0.00 C ATOM 480 CG1 VAL A 29 12.798 15.423 32.196 1.00 0.00 C ATOM 481 CG2 VAL A 29 12.698 15.206 29.663 1.00 0.00 C ATOM 0 H VAL A 29 11.749 12.743 29.296 1.00 0.00 H new ATOM 0 HA VAL A 29 13.886 13.069 31.171 1.00 0.00 H new ATOM 0 HB VAL A 29 11.206 14.529 31.061 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.428 16.443 32.088 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.432 15.001 33.132 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.888 15.431 32.203 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.337 16.234 29.630 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.784 15.199 29.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.258 14.640 28.842 1.00 0.00 H new ATOM 491 N GLU A 30 11.069 11.729 32.219 1.00 0.00 N ATOM 492 CA GLU A 30 10.326 11.144 33.363 1.00 0.00 C ATOM 493 C GLU A 30 10.535 9.624 33.476 1.00 0.00 C ATOM 494 O GLU A 30 10.198 9.025 34.506 1.00 0.00 O ATOM 495 CB GLU A 30 8.824 11.537 33.262 1.00 0.00 C ATOM 496 CG GLU A 30 8.136 11.227 31.908 1.00 0.00 C ATOM 497 CD GLU A 30 7.299 9.936 31.885 1.00 0.00 C ATOM 498 OE1 GLU A 30 6.141 9.972 32.349 1.00 0.00 O ATOM 499 OE2 GLU A 30 7.781 8.892 31.403 1.00 0.00 O ATOM 0 H GLU A 30 10.624 11.578 31.314 1.00 0.00 H new ATOM 0 HA GLU A 30 10.725 11.558 34.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.279 11.020 34.052 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.733 12.605 33.458 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.491 12.065 31.645 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.902 11.160 31.135 1.00 0.00 H new ATOM 506 N ALA A 31 11.086 9.007 32.419 1.00 0.00 N ATOM 507 CA ALA A 31 11.454 7.580 32.429 1.00 0.00 C ATOM 508 C ALA A 31 12.763 7.371 31.657 1.00 0.00 C ATOM 509 O ALA A 31 12.723 6.979 30.502 1.00 0.00 O ATOM 510 CB ALA A 31 10.308 6.725 31.843 1.00 0.00 C ATOM 0 H ALA A 31 11.289 9.479 31.538 1.00 0.00 H new ATOM 0 HA ALA A 31 11.614 7.258 33.458 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.595 5.673 31.857 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.408 6.864 32.442 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.112 7.034 30.816 1.00 0.00 H new ATOM 516 N ALA A 32 13.926 7.707 32.276 1.00 0.00 N ATOM 517 CA ALA A 32 15.261 7.564 31.647 1.00 0.00 C ATOM 518 C ALA A 32 15.550 6.145 31.081 1.00 0.00 C ATOM 519 O ALA A 32 15.343 5.920 29.882 1.00 0.00 O ATOM 520 CB ALA A 32 16.356 8.012 32.633 1.00 0.00 C ATOM 0 H ALA A 32 13.961 8.084 33.223 1.00 0.00 H new ATOM 0 HA ALA A 32 15.265 8.218 30.775 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.334 7.904 32.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.197 9.056 32.904 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.313 7.394 33.530 1.00 0.00 H new ATOM 526 N ASP A 33 16.045 5.203 31.926 1.00 0.00 N ATOM 527 CA ASP A 33 16.377 3.814 31.507 1.00 0.00 C ATOM 528 C ASP A 33 15.207 3.090 30.821 1.00 0.00 C ATOM 529 O ASP A 33 15.425 2.329 29.893 1.00 0.00 O ATOM 530 CB ASP A 33 16.855 2.985 32.726 1.00 0.00 C ATOM 531 CG ASP A 33 17.325 1.561 32.362 1.00 0.00 C ATOM 532 OD1 ASP A 33 18.499 1.398 31.963 1.00 0.00 O ATOM 533 OD2 ASP A 33 16.529 0.596 32.491 1.00 0.00 O ATOM 0 H ASP A 33 16.225 5.383 32.914 1.00 0.00 H new ATOM 0 HA ASP A 33 17.176 3.900 30.771 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.673 3.514 33.216 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.042 2.916 33.449 1.00 0.00 H new ATOM 538 N LYS A 34 13.984 3.342 31.298 1.00 0.00 N ATOM 539 CA LYS A 34 12.772 2.698 30.755 1.00 0.00 C ATOM 540 C LYS A 34 12.649 3.035 29.240 1.00 0.00 C ATOM 541 O LYS A 34 12.649 2.134 28.410 1.00 0.00 O ATOM 542 CB LYS A 34 11.517 3.136 31.576 1.00 0.00 C ATOM 543 CG LYS A 34 10.345 2.116 31.633 1.00 0.00 C ATOM 544 CD LYS A 34 9.700 1.819 30.262 1.00 0.00 C ATOM 545 CE LYS A 34 8.471 0.903 30.368 1.00 0.00 C ATOM 546 NZ LYS A 34 7.438 1.465 31.279 1.00 0.00 N ATOM 0 H LYS A 34 13.801 3.991 32.064 1.00 0.00 H new ATOM 0 HA LYS A 34 12.843 1.614 30.848 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.833 3.352 32.596 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.140 4.068 31.155 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.711 1.182 32.060 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.579 2.497 32.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.408 2.758 29.792 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.440 1.353 29.611 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.041 0.757 29.377 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.779 -0.078 30.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.533 0.977 31.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.736 1.332 32.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.321 2.480 31.087 1.00 0.00 H new ATOM 560 N TYR A 35 12.575 4.340 28.933 1.00 0.00 N ATOM 561 CA TYR A 35 12.566 4.872 27.544 1.00 0.00 C ATOM 562 C TYR A 35 13.805 4.393 26.751 1.00 0.00 C ATOM 563 O TYR A 35 13.710 4.112 25.550 1.00 0.00 O ATOM 564 CB TYR A 35 12.487 6.413 27.580 1.00 0.00 C ATOM 565 CG TYR A 35 12.351 7.141 26.224 1.00 0.00 C ATOM 566 CD1 TYR A 35 13.477 7.455 25.449 1.00 0.00 C ATOM 567 CD2 TYR A 35 11.101 7.549 25.740 1.00 0.00 C ATOM 568 CE1 TYR A 35 13.359 8.134 24.254 1.00 0.00 C ATOM 569 CE2 TYR A 35 10.987 8.234 24.548 1.00 0.00 C ATOM 570 CZ TYR A 35 12.115 8.523 23.811 1.00 0.00 C ATOM 571 OH TYR A 35 11.996 9.218 22.626 1.00 0.00 O ATOM 0 H TYR A 35 12.519 5.070 29.643 1.00 0.00 H new ATOM 0 HA TYR A 35 11.687 4.487 27.027 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.637 6.694 28.202 1.00 0.00 H new ATOM 0 HB3 TYR A 35 13.383 6.786 28.077 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.456 7.159 25.795 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.212 7.323 26.310 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.238 8.359 23.669 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.015 8.543 24.193 1.00 0.00 H new ATOM 0 HH TYR A 35 11.051 9.416 22.456 1.00 0.00 H new ATOM 581 N ALA A 36 14.939 4.305 27.462 1.00 0.00 N ATOM 582 CA ALA A 36 16.211 3.867 26.870 1.00 0.00 C ATOM 583 C ALA A 36 16.093 2.433 26.325 1.00 0.00 C ATOM 584 O ALA A 36 16.459 2.177 25.177 1.00 0.00 O ATOM 585 CB ALA A 36 17.364 3.999 27.877 1.00 0.00 C ATOM 0 H ALA A 36 15.000 4.533 28.454 1.00 0.00 H new ATOM 0 HA ALA A 36 16.440 4.522 26.029 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.293 3.668 27.412 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.462 5.041 28.183 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.156 3.382 28.751 1.00 0.00 H new ATOM 591 N GLU A 37 15.658 1.480 27.167 1.00 0.00 N ATOM 592 CA GLU A 37 15.179 0.150 26.756 1.00 0.00 C ATOM 593 C GLU A 37 14.219 0.211 25.565 1.00 0.00 C ATOM 594 O GLU A 37 14.447 -0.467 24.602 1.00 0.00 O ATOM 595 CB GLU A 37 14.515 -0.595 27.941 1.00 0.00 C ATOM 596 CG GLU A 37 15.408 -0.739 29.187 1.00 0.00 C ATOM 597 CD GLU A 37 16.804 -1.317 28.895 1.00 0.00 C ATOM 598 OE1 GLU A 37 16.912 -2.526 28.611 1.00 0.00 O ATOM 599 OE2 GLU A 37 17.803 -0.569 28.968 1.00 0.00 O ATOM 0 H GLU A 37 15.629 1.617 28.177 1.00 0.00 H new ATOM 0 HA GLU A 37 16.059 -0.407 26.435 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.604 -0.066 28.222 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.216 -1.589 27.607 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.522 0.239 29.654 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.904 -1.381 29.910 1.00 0.00 H new ATOM 606 N LEU A 38 13.175 1.053 25.635 1.00 0.00 N ATOM 607 CA LEU A 38 12.158 1.142 24.539 1.00 0.00 C ATOM 608 C LEU A 38 12.822 1.504 23.189 1.00 0.00 C ATOM 609 O LEU A 38 12.317 1.152 22.120 1.00 0.00 O ATOM 610 CB LEU A 38 11.061 2.176 24.874 1.00 0.00 C ATOM 611 CG LEU A 38 10.391 2.011 26.259 1.00 0.00 C ATOM 612 CD1 LEU A 38 9.317 3.088 26.489 1.00 0.00 C ATOM 613 CD2 LEU A 38 9.846 0.582 26.460 1.00 0.00 C ATOM 0 H LEU A 38 13.002 1.679 26.421 1.00 0.00 H new ATOM 0 HA LEU A 38 11.695 0.159 24.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.497 3.173 24.817 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.288 2.121 24.107 1.00 0.00 H new ATOM 0 HG LEU A 38 11.157 2.159 27.021 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.864 2.946 27.470 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.776 4.076 26.440 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.549 3.006 25.720 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.383 0.504 27.444 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.104 0.364 25.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.665 -0.133 26.387 1.00 0.00 H new ATOM 625 N GLU A 39 13.964 2.197 23.299 1.00 0.00 N ATOM 626 CA GLU A 39 14.838 2.523 22.165 1.00 0.00 C ATOM 627 C GLU A 39 15.602 1.283 21.663 1.00 0.00 C ATOM 628 O GLU A 39 15.656 1.069 20.463 1.00 0.00 O ATOM 629 CB GLU A 39 15.807 3.682 22.521 1.00 0.00 C ATOM 630 CG GLU A 39 15.105 5.043 22.710 1.00 0.00 C ATOM 631 CD GLU A 39 14.344 5.502 21.453 1.00 0.00 C ATOM 632 OE1 GLU A 39 14.961 6.138 20.579 1.00 0.00 O ATOM 633 OE2 GLU A 39 13.140 5.198 21.321 1.00 0.00 O ATOM 0 H GLU A 39 14.311 2.551 24.190 1.00 0.00 H new ATOM 0 HA GLU A 39 14.202 2.862 21.347 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.341 3.429 23.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.553 3.775 21.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.409 4.974 23.546 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.847 5.796 22.975 1.00 0.00 H new ATOM 640 N LYS A 40 16.254 0.541 22.572 1.00 0.00 N ATOM 641 CA LYS A 40 16.929 -0.754 22.248 1.00 0.00 C ATOM 642 C LYS A 40 15.961 -1.792 21.598 1.00 0.00 C ATOM 643 O LYS A 40 16.276 -2.406 20.575 1.00 0.00 O ATOM 644 CB LYS A 40 17.546 -1.356 23.540 1.00 0.00 C ATOM 645 CG LYS A 40 18.457 -0.385 24.322 1.00 0.00 C ATOM 646 CD LYS A 40 19.021 -1.015 25.616 1.00 0.00 C ATOM 647 CE LYS A 40 19.969 -0.066 26.370 1.00 0.00 C ATOM 648 NZ LYS A 40 20.445 -0.649 27.651 1.00 0.00 N ATOM 0 H LYS A 40 16.336 0.809 23.553 1.00 0.00 H new ATOM 0 HA LYS A 40 17.708 -0.538 21.517 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.739 -1.685 24.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.123 -2.242 23.274 1.00 0.00 H new ATOM 0 HG2 LYS A 40 19.283 -0.073 23.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.893 0.513 24.575 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.195 -1.293 26.270 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.554 -1.933 25.367 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.826 0.166 25.738 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.456 0.875 26.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.182 -0.038 28.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.649 -0.721 28.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.838 -1.596 27.477 1.00 0.00 H new ATOM 662 N GLU A 41 14.823 -1.974 22.281 1.00 0.00 N ATOM 663 CA GLU A 41 13.730 -2.878 21.855 1.00 0.00 C ATOM 664 C GLU A 41 13.274 -2.510 20.440 1.00 0.00 C ATOM 665 O GLU A 41 13.216 -3.366 19.554 1.00 0.00 O ATOM 666 CB GLU A 41 12.515 -2.848 22.840 1.00 0.00 C ATOM 667 CG GLU A 41 12.865 -3.104 24.325 1.00 0.00 C ATOM 668 CD GLU A 41 13.888 -4.240 24.537 1.00 0.00 C ATOM 669 OE1 GLU A 41 13.496 -5.425 24.477 1.00 0.00 O ATOM 670 OE2 GLU A 41 15.090 -3.950 24.763 1.00 0.00 O ATOM 0 H GLU A 41 14.626 -1.493 23.159 1.00 0.00 H new ATOM 0 HA GLU A 41 14.123 -3.895 21.863 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.027 -1.877 22.760 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.790 -3.596 22.520 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.261 -2.186 24.759 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.951 -3.345 24.868 1.00 0.00 H new ATOM 677 N LYS A 42 12.979 -1.210 20.267 1.00 0.00 N ATOM 678 CA LYS A 42 12.670 -0.620 18.959 1.00 0.00 C ATOM 679 C LYS A 42 13.793 -0.914 17.938 1.00 0.00 C ATOM 680 O LYS A 42 13.515 -1.415 16.860 1.00 0.00 O ATOM 681 CB LYS A 42 12.477 0.903 19.086 1.00 0.00 C ATOM 682 CG LYS A 42 12.054 1.618 17.783 1.00 0.00 C ATOM 683 CD LYS A 42 12.016 3.144 17.944 1.00 0.00 C ATOM 684 CE LYS A 42 11.054 3.611 19.052 1.00 0.00 C ATOM 685 NZ LYS A 42 11.063 5.087 19.213 1.00 0.00 N ATOM 0 H LYS A 42 12.949 -0.539 21.035 1.00 0.00 H new ATOM 0 HA LYS A 42 11.745 -1.072 18.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.724 1.096 19.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.409 1.344 19.439 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.749 1.356 16.985 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.070 1.262 17.478 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.020 3.505 18.167 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.718 3.596 16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.043 3.278 18.818 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.333 3.142 19.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.415 5.356 19.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.026 5.405 19.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.755 5.535 18.326 1.00 0.00 H new ATOM 699 N ALA A 43 15.052 -0.621 18.326 1.00 0.00 N ATOM 700 CA ALA A 43 16.230 -0.705 17.440 1.00 0.00 C ATOM 701 C ALA A 43 16.415 -2.109 16.869 1.00 0.00 C ATOM 702 O ALA A 43 16.563 -2.261 15.654 1.00 0.00 O ATOM 703 CB ALA A 43 17.500 -0.231 18.182 1.00 0.00 C ATOM 0 H ALA A 43 15.280 -0.317 19.272 1.00 0.00 H new ATOM 0 HA ALA A 43 16.056 -0.039 16.594 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.359 -0.300 17.514 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.370 0.803 18.501 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.668 -0.862 19.055 1.00 0.00 H new ATOM 709 N THR A 44 16.462 -3.136 17.733 1.00 0.00 N ATOM 710 CA THR A 44 16.483 -4.567 17.419 1.00 0.00 C ATOM 711 C THR A 44 15.302 -4.977 16.542 1.00 0.00 C ATOM 712 O THR A 44 15.485 -5.738 15.603 1.00 0.00 O ATOM 713 CB THR A 44 16.478 -5.384 18.756 1.00 0.00 C ATOM 714 OG1 THR A 44 17.567 -4.940 19.575 1.00 0.00 O ATOM 715 CG2 THR A 44 16.580 -6.913 18.545 1.00 0.00 C ATOM 0 H THR A 44 16.488 -2.972 18.739 1.00 0.00 H new ATOM 0 HA THR A 44 17.390 -4.781 16.853 1.00 0.00 H new ATOM 0 HB THR A 44 15.518 -5.202 19.240 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.301 -4.134 20.065 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.571 -7.415 19.512 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.733 -7.256 17.950 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.508 -7.147 18.023 1.00 0.00 H new ATOM 723 N LEU A 45 14.101 -4.491 16.923 1.00 0.00 N ATOM 724 CA LEU A 45 12.888 -4.745 16.110 1.00 0.00 C ATOM 725 C LEU A 45 13.149 -4.353 14.657 1.00 0.00 C ATOM 726 O LEU A 45 13.052 -5.204 13.785 1.00 0.00 O ATOM 727 CB LEU A 45 11.609 -4.038 16.637 1.00 0.00 C ATOM 728 CG LEU A 45 10.887 -4.724 17.834 1.00 0.00 C ATOM 729 CD1 LEU A 45 9.693 -3.882 18.312 1.00 0.00 C ATOM 730 CD2 LEU A 45 10.457 -6.166 17.469 1.00 0.00 C ATOM 0 H LEU A 45 13.944 -3.936 17.764 1.00 0.00 H new ATOM 0 HA LEU A 45 12.687 -5.814 16.187 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.876 -3.024 16.934 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.901 -3.953 15.813 1.00 0.00 H new ATOM 0 HG LEU A 45 11.592 -4.792 18.662 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.206 -4.383 19.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.044 -2.901 18.631 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.981 -3.764 17.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.955 -6.623 18.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.775 -6.138 16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.338 -6.753 17.209 1.00 0.00 H new ATOM 742 N GLU A 46 13.499 -3.077 14.429 1.00 0.00 N ATOM 743 CA GLU A 46 13.897 -2.555 13.114 1.00 0.00 C ATOM 744 C GLU A 46 14.977 -3.474 12.458 1.00 0.00 C ATOM 745 O GLU A 46 14.698 -4.124 11.467 1.00 0.00 O ATOM 746 CB GLU A 46 14.430 -1.101 13.260 1.00 0.00 C ATOM 747 CG GLU A 46 13.497 -0.109 14.002 1.00 0.00 C ATOM 748 CD GLU A 46 14.144 1.273 14.254 1.00 0.00 C ATOM 749 OE1 GLU A 46 15.181 1.344 14.952 1.00 0.00 O ATOM 750 OE2 GLU A 46 13.634 2.292 13.750 1.00 0.00 O ATOM 0 H GLU A 46 13.513 -2.370 15.164 1.00 0.00 H new ATOM 0 HA GLU A 46 13.023 -2.545 12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.384 -1.135 13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.630 -0.706 12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.586 0.026 13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.203 -0.544 14.957 1.00 0.00 H new ATOM 757 N ALA A 47 16.187 -3.491 13.049 1.00 0.00 N ATOM 758 CA ALA A 47 17.372 -4.306 12.665 1.00 0.00 C ATOM 759 C ALA A 47 17.011 -5.731 12.151 1.00 0.00 C ATOM 760 O ALA A 47 17.342 -6.073 11.011 1.00 0.00 O ATOM 761 CB ALA A 47 18.349 -4.386 13.845 1.00 0.00 C ATOM 0 H ALA A 47 16.383 -2.902 13.858 1.00 0.00 H new ATOM 0 HA ALA A 47 17.844 -3.799 11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.215 -4.983 13.560 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.674 -3.382 14.117 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.853 -4.850 14.697 1.00 0.00 H new ATOM 767 N GLU A 48 16.362 -6.555 12.999 1.00 0.00 N ATOM 768 CA GLU A 48 15.718 -7.856 12.715 1.00 0.00 C ATOM 769 C GLU A 48 14.801 -7.803 11.476 1.00 0.00 C ATOM 770 O GLU A 48 15.102 -8.408 10.460 1.00 0.00 O ATOM 771 CB GLU A 48 14.893 -8.278 13.982 1.00 0.00 C ATOM 772 CG GLU A 48 14.016 -9.547 13.859 1.00 0.00 C ATOM 773 CD GLU A 48 14.806 -10.872 13.933 1.00 0.00 C ATOM 774 OE1 GLU A 48 15.716 -11.092 13.111 1.00 0.00 O ATOM 775 OE2 GLU A 48 14.505 -11.706 14.805 1.00 0.00 O ATOM 0 H GLU A 48 16.266 -6.307 13.984 1.00 0.00 H new ATOM 0 HA GLU A 48 16.495 -8.588 12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.591 -8.427 14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.247 -7.445 14.258 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.269 -9.537 14.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.476 -9.511 12.913 1.00 0.00 H new ATOM 782 N ILE A 49 13.708 -7.026 11.608 1.00 0.00 N ATOM 783 CA ILE A 49 12.662 -6.951 10.541 1.00 0.00 C ATOM 784 C ILE A 49 13.204 -6.277 9.253 1.00 0.00 C ATOM 785 O ILE A 49 12.532 -6.275 8.240 1.00 0.00 O ATOM 786 CB ILE A 49 11.312 -6.257 11.009 1.00 0.00 C ATOM 787 CG1 ILE A 49 11.491 -4.710 11.135 1.00 0.00 C ATOM 788 CG2 ILE A 49 10.789 -6.885 12.333 1.00 0.00 C ATOM 789 CD1 ILE A 49 10.290 -3.944 11.658 1.00 0.00 C ATOM 0 H ILE A 49 13.518 -6.446 12.425 1.00 0.00 H new ATOM 0 HA ILE A 49 12.411 -7.988 10.317 1.00 0.00 H new ATOM 0 HB ILE A 49 10.557 -6.437 10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 49 12.337 -4.514 11.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.752 -4.313 10.154 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.864 -6.391 12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.600 -7.948 12.182 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.536 -6.757 13.116 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.528 -2.881 11.704 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.442 -4.098 10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.036 -4.302 12.656 1.00 0.00 H new ATOM 801 N ALA A 50 14.437 -5.741 9.309 1.00 0.00 N ATOM 802 CA ALA A 50 15.134 -5.123 8.178 1.00 0.00 C ATOM 803 C ALA A 50 15.964 -6.186 7.440 1.00 0.00 C ATOM 804 O ALA A 50 15.933 -6.257 6.218 1.00 0.00 O ATOM 805 CB ALA A 50 16.013 -3.964 8.663 1.00 0.00 C ATOM 0 H ALA A 50 14.987 -5.728 10.168 1.00 0.00 H new ATOM 0 HA ALA A 50 14.403 -4.713 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.525 -3.515 7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.390 -3.214 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.750 -4.339 9.373 1.00 0.00 H new ATOM 811 N ARG A 51 16.752 -6.965 8.207 1.00 0.00 N ATOM 812 CA ARG A 51 17.437 -8.187 7.735 1.00 0.00 C ATOM 813 C ARG A 51 16.427 -9.157 7.089 1.00 0.00 C ATOM 814 O ARG A 51 16.647 -9.687 5.993 1.00 0.00 O ATOM 815 CB ARG A 51 18.153 -8.878 8.934 1.00 0.00 C ATOM 816 CG ARG A 51 19.038 -10.090 8.559 1.00 0.00 C ATOM 817 CD ARG A 51 20.278 -9.683 7.758 1.00 0.00 C ATOM 818 NE ARG A 51 21.107 -10.838 7.368 1.00 0.00 N ATOM 819 CZ ARG A 51 22.107 -10.801 6.473 1.00 0.00 C ATOM 820 NH1 ARG A 51 22.401 -9.681 5.823 1.00 0.00 N ATOM 821 NH2 ARG A 51 22.818 -11.894 6.234 1.00 0.00 N ATOM 0 H ARG A 51 16.934 -6.760 9.189 1.00 0.00 H new ATOM 0 HA ARG A 51 18.176 -7.911 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.772 -8.139 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.398 -9.206 9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.349 -10.604 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.450 -10.799 7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.967 -9.145 6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 51 20.879 -8.993 8.351 1.00 0.00 H new ATOM 0 HE ARG A 51 20.905 -11.734 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 51 21.864 -8.832 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.164 -9.669 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 51 22.605 -12.760 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 51 23.578 -11.869 5.555 1.00 0.00 H new ATOM 835 N LEU A 52 15.316 -9.360 7.800 1.00 0.00 N ATOM 836 CA LEU A 52 14.149 -10.125 7.368 1.00 0.00 C ATOM 837 C LEU A 52 13.576 -9.541 6.074 1.00 0.00 C ATOM 838 O LEU A 52 13.313 -10.290 5.155 1.00 0.00 O ATOM 839 CB LEU A 52 13.063 -10.193 8.500 1.00 0.00 C ATOM 840 CG LEU A 52 13.109 -11.453 9.431 1.00 0.00 C ATOM 841 CD1 LEU A 52 12.707 -12.723 8.659 1.00 0.00 C ATOM 842 CD2 LEU A 52 14.492 -11.625 10.094 1.00 0.00 C ATOM 0 H LEU A 52 15.202 -8.976 8.738 1.00 0.00 H new ATOM 0 HA LEU A 52 14.466 -11.148 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.161 -9.304 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.079 -10.148 8.033 1.00 0.00 H new ATOM 0 HG LEU A 52 12.383 -11.294 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.747 -13.583 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.694 -12.609 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.395 -12.877 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.483 -12.509 10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.253 -11.742 9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.718 -10.746 10.697 1.00 0.00 H new ATOM 854 N ARG A 53 13.323 -8.213 6.028 1.00 0.00 N ATOM 855 CA ARG A 53 12.875 -7.522 4.796 1.00 0.00 C ATOM 856 C ARG A 53 14.005 -7.135 3.826 1.00 0.00 C ATOM 857 O ARG A 53 13.746 -6.374 2.899 1.00 0.00 O ATOM 858 CB ARG A 53 12.011 -6.285 5.157 1.00 0.00 C ATOM 859 CG ARG A 53 10.677 -6.632 5.850 1.00 0.00 C ATOM 860 CD ARG A 53 9.881 -5.386 6.269 1.00 0.00 C ATOM 861 NE ARG A 53 8.720 -5.719 7.107 1.00 0.00 N ATOM 862 CZ ARG A 53 7.594 -6.313 6.685 1.00 0.00 C ATOM 863 NH1 ARG A 53 7.429 -6.653 5.406 1.00 0.00 N ATOM 864 NH2 ARG A 53 6.622 -6.545 7.551 1.00 0.00 N ATOM 0 H ARG A 53 13.422 -7.596 6.834 1.00 0.00 H new ATOM 0 HA ARG A 53 12.274 -8.252 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.588 -5.630 5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.800 -5.724 4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.069 -7.236 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.878 -7.242 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.536 -4.706 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.543 -4.857 5.378 1.00 0.00 H new ATOM 0 HE ARG A 53 8.776 -5.477 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.167 -6.462 4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.565 -7.104 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.733 -6.273 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.761 -6.996 7.242 1.00 0.00 H new ATOM 878 N GLU A 54 15.247 -7.617 4.009 1.00 0.00 N ATOM 879 CA GLU A 54 16.251 -7.586 2.908 1.00 0.00 C ATOM 880 C GLU A 54 16.167 -8.931 2.164 1.00 0.00 C ATOM 881 O GLU A 54 16.272 -8.979 0.937 1.00 0.00 O ATOM 882 CB GLU A 54 17.697 -7.229 3.392 1.00 0.00 C ATOM 883 CG GLU A 54 18.585 -8.394 3.867 1.00 0.00 C ATOM 884 CD GLU A 54 19.952 -7.917 4.396 1.00 0.00 C ATOM 885 OE1 GLU A 54 19.997 -7.328 5.488 1.00 0.00 O ATOM 886 OE2 GLU A 54 20.983 -8.105 3.715 1.00 0.00 O ATOM 0 H GLU A 54 15.583 -8.025 4.882 1.00 0.00 H new ATOM 0 HA GLU A 54 16.013 -6.774 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.212 -6.722 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.613 -6.513 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.067 -8.944 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.741 -9.088 3.041 1.00 0.00 H new ATOM 893 N VAL A 55 15.979 -10.021 2.946 1.00 0.00 N ATOM 894 CA VAL A 55 15.462 -11.308 2.413 1.00 0.00 C ATOM 895 C VAL A 55 14.127 -11.054 1.656 1.00 0.00 C ATOM 896 O VAL A 55 14.014 -11.327 0.468 1.00 0.00 O ATOM 897 CB VAL A 55 15.252 -12.394 3.547 1.00 0.00 C ATOM 898 CG1 VAL A 55 14.838 -13.768 2.964 1.00 0.00 C ATOM 899 CG2 VAL A 55 16.512 -12.533 4.434 1.00 0.00 C ATOM 0 H VAL A 55 16.177 -10.036 3.947 1.00 0.00 H new ATOM 0 HA VAL A 55 16.210 -11.708 1.729 1.00 0.00 H new ATOM 0 HB VAL A 55 14.432 -12.042 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.705 -14.483 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 55 13.902 -13.663 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 55 15.616 -14.126 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.335 -13.286 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.359 -12.835 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.731 -11.576 4.908 1.00 0.00 H new ATOM 909 N HIS A 56 13.137 -10.514 2.381 1.00 0.00 N ATOM 910 CA HIS A 56 11.838 -10.000 1.889 1.00 0.00 C ATOM 911 C HIS A 56 11.938 -8.607 1.204 1.00 0.00 C ATOM 912 O HIS A 56 10.954 -7.870 1.149 1.00 0.00 O ATOM 913 CB HIS A 56 10.779 -9.969 3.035 1.00 0.00 C ATOM 914 CG HIS A 56 10.248 -11.316 3.444 1.00 0.00 C ATOM 915 ND1 HIS A 56 9.180 -11.915 2.813 1.00 0.00 N ATOM 916 CD2 HIS A 56 10.616 -12.160 4.440 1.00 0.00 C ATOM 917 CE1 HIS A 56 8.911 -13.060 3.398 1.00 0.00 C ATOM 918 NE2 HIS A 56 9.768 -13.237 4.387 1.00 0.00 N ATOM 0 H HIS A 56 13.222 -10.415 3.393 1.00 0.00 H new ATOM 0 HA HIS A 56 11.515 -10.700 1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.223 -9.490 3.907 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.942 -9.345 2.720 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.676 -11.529 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.424 -12.012 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.122 -13.742 3.117 1.00 0.00 H new ATOM 927 N SER A 57 13.126 -8.236 0.709 1.00 0.00 N ATOM 928 CA SER A 57 13.269 -7.202 -0.344 1.00 0.00 C ATOM 929 C SER A 57 13.384 -7.945 -1.671 1.00 0.00 C ATOM 930 O SER A 57 12.738 -7.603 -2.666 1.00 0.00 O ATOM 931 CB SER A 57 14.517 -6.318 -0.112 1.00 0.00 C ATOM 932 OG SER A 57 14.635 -5.287 -1.085 1.00 0.00 O ATOM 0 H SER A 57 14.012 -8.635 1.019 1.00 0.00 H new ATOM 0 HA SER A 57 12.410 -6.532 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.465 -5.873 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.411 -6.941 -0.136 1.00 0.00 H new ATOM 0 HG SER A 57 15.435 -4.752 -0.900 1.00 0.00 H new ATOM 938 N GLN A 58 14.200 -9.014 -1.624 1.00 0.00 N ATOM 939 CA GLN A 58 14.349 -9.996 -2.708 1.00 0.00 C ATOM 940 C GLN A 58 13.031 -10.806 -2.856 1.00 0.00 C ATOM 941 O GLN A 58 12.741 -11.365 -3.918 1.00 0.00 O ATOM 942 CB GLN A 58 15.550 -10.933 -2.370 1.00 0.00 C ATOM 943 CG GLN A 58 16.838 -10.181 -1.931 1.00 0.00 C ATOM 944 CD GLN A 58 17.884 -11.059 -1.240 1.00 0.00 C ATOM 945 OE1 GLN A 58 18.032 -12.242 -1.538 1.00 0.00 O ATOM 946 NE2 GLN A 58 18.599 -10.482 -0.282 1.00 0.00 N ATOM 0 H GLN A 58 14.785 -9.221 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 58 14.547 -9.495 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 58 15.252 -11.616 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.778 -11.543 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.292 -9.721 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.558 -9.372 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.452 -9.498 -0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.295 -11.023 0.231 1.00 0.00 H new ATOM 955 N LYS A 59 12.250 -10.841 -1.748 1.00 0.00 N ATOM 956 CA LYS A 59 10.965 -11.561 -1.628 1.00 0.00 C ATOM 957 C LYS A 59 9.902 -10.618 -0.977 1.00 0.00 C ATOM 958 O LYS A 59 9.418 -10.926 0.109 1.00 0.00 O ATOM 959 CB LYS A 59 11.175 -12.876 -0.763 1.00 0.00 C ATOM 960 CG LYS A 59 11.216 -14.213 -1.550 1.00 0.00 C ATOM 961 CD LYS A 59 12.486 -14.395 -2.412 1.00 0.00 C ATOM 962 CE LYS A 59 13.774 -14.445 -1.571 1.00 0.00 C ATOM 963 NZ LYS A 59 14.986 -14.589 -2.413 1.00 0.00 N ATOM 0 H LYS A 59 12.508 -10.354 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 59 10.605 -11.855 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.108 -12.776 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.372 -12.935 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.146 -15.041 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.340 -14.270 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.399 -15.315 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.555 -13.575 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.853 -13.535 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.718 -15.280 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.829 -14.618 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.924 -15.470 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.055 -13.780 -3.063 1.00 0.00 H new ATOM 977 N LEU A 60 9.539 -9.489 -1.661 1.00 0.00 N ATOM 978 CA LEU A 60 8.709 -8.367 -1.073 1.00 0.00 C ATOM 979 C LEU A 60 7.406 -8.880 -0.361 1.00 0.00 C ATOM 980 O LEU A 60 7.451 -9.225 0.828 1.00 0.00 O ATOM 981 CB LEU A 60 8.400 -7.279 -2.176 1.00 0.00 C ATOM 982 CG LEU A 60 8.113 -5.785 -1.713 1.00 0.00 C ATOM 983 CD1 LEU A 60 8.008 -4.828 -2.932 1.00 0.00 C ATOM 984 CD2 LEU A 60 6.843 -5.648 -0.831 1.00 0.00 C ATOM 0 H LEU A 60 9.808 -9.324 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 60 9.301 -7.897 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.245 -7.256 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.535 -7.621 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 60 8.967 -5.500 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.811 -3.814 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.945 -4.845 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.194 -5.153 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.706 -4.604 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.973 -5.991 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.957 -6.253 0.068 1.00 0.00 H new ATOM 996 N SER A 61 6.265 -8.912 -1.086 1.00 0.00 N ATOM 997 CA SER A 61 4.948 -9.326 -0.537 1.00 0.00 C ATOM 998 C SER A 61 3.935 -9.437 -1.695 1.00 0.00 C ATOM 999 O SER A 61 4.095 -8.739 -2.701 1.00 0.00 O ATOM 1000 CB SER A 61 4.432 -8.342 0.550 1.00 0.00 C ATOM 1001 OG SER A 61 3.260 -8.844 1.180 1.00 0.00 O ATOM 0 H SER A 61 6.229 -8.651 -2.071 1.00 0.00 H new ATOM 0 HA SER A 61 5.066 -10.295 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.209 -8.180 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.219 -7.374 0.097 1.00 0.00 H new ATOM 0 HG SER A 61 2.956 -8.208 1.861 1.00 0.00 H new ATOM 1007 N LYS A 62 2.888 -10.276 -1.493 1.00 0.00 N ATOM 1008 CA LYS A 62 2.034 -10.908 -2.550 1.00 0.00 C ATOM 1009 C LYS A 62 2.020 -10.204 -3.938 1.00 0.00 C ATOM 1010 O LYS A 62 2.548 -10.765 -4.859 1.00 0.00 O ATOM 1011 CB LYS A 62 0.587 -11.091 -2.023 1.00 0.00 C ATOM 1012 CG LYS A 62 0.492 -11.980 -0.766 1.00 0.00 C ATOM 1013 CD LYS A 62 -0.952 -12.108 -0.235 1.00 0.00 C ATOM 1014 CE LYS A 62 -1.042 -12.908 1.066 1.00 0.00 C ATOM 1015 NZ LYS A 62 -0.246 -12.288 2.149 1.00 0.00 N ATOM 0 H LYS A 62 2.598 -10.547 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 62 2.508 -11.870 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.166 -10.111 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.025 -11.527 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.879 -12.972 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.127 -11.565 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.363 -11.112 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.571 -12.587 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.084 -12.980 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.690 -13.925 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.373 -12.830 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.760 -12.288 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.565 -11.309 2.298 1.00 0.00 H new ATOM 1029 N GLU A 63 1.329 -9.046 -4.044 1.00 0.00 N ATOM 1030 CA GLU A 63 1.323 -8.198 -5.300 1.00 0.00 C ATOM 1031 C GLU A 63 2.646 -8.210 -6.121 1.00 0.00 C ATOM 1032 O GLU A 63 2.721 -8.802 -7.221 1.00 0.00 O ATOM 1033 CB GLU A 63 0.946 -6.725 -4.941 1.00 0.00 C ATOM 1034 CG GLU A 63 0.360 -5.897 -6.112 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.004 -6.429 -6.585 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -1.964 -6.419 -5.780 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -1.122 -6.892 -7.740 1.00 0.00 O ATOM 0 H GLU A 63 0.764 -8.662 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 63 0.576 -8.656 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.221 -6.739 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.836 -6.219 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.253 -4.858 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.060 -5.909 -6.947 1.00 0.00 H new ATOM 1044 N ALA A 64 3.693 -7.590 -5.564 1.00 0.00 N ATOM 1045 CA ALA A 64 5.010 -7.516 -6.211 1.00 0.00 C ATOM 1046 C ALA A 64 5.653 -8.905 -6.263 1.00 0.00 C ATOM 1047 O ALA A 64 6.261 -9.276 -7.259 1.00 0.00 O ATOM 1048 CB ALA A 64 5.895 -6.533 -5.448 1.00 0.00 C ATOM 0 H ALA A 64 3.653 -7.127 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 64 4.894 -7.162 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.873 -6.477 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.431 -5.547 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.014 -6.873 -4.419 1.00 0.00 H new ATOM 1054 N GLN A 65 5.477 -9.639 -5.148 1.00 0.00 N ATOM 1055 CA GLN A 65 6.022 -11.012 -5.034 1.00 0.00 C ATOM 1056 C GLN A 65 5.387 -11.952 -6.079 1.00 0.00 C ATOM 1057 O GLN A 65 5.980 -12.994 -6.415 1.00 0.00 O ATOM 1058 CB GLN A 65 5.862 -11.604 -3.599 1.00 0.00 C ATOM 1059 CG GLN A 65 7.174 -11.764 -2.814 1.00 0.00 C ATOM 1060 CD GLN A 65 8.154 -12.741 -3.469 1.00 0.00 C ATOM 1061 OE1 GLN A 65 8.130 -13.935 -3.198 1.00 0.00 O ATOM 1062 NE2 GLN A 65 9.042 -12.242 -4.328 1.00 0.00 N ATOM 0 H GLN A 65 4.971 -9.314 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 65 7.091 -10.937 -5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.191 -10.961 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.380 -12.579 -3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.653 -10.790 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.947 -12.109 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.043 -11.244 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.721 -12.858 -4.775 1.00 0.00 H new ATOM 1071 N LYS A 66 4.249 -11.572 -6.695 1.00 0.00 N ATOM 1072 CA LYS A 66 3.537 -12.293 -7.716 1.00 0.00 C ATOM 1073 C LYS A 66 4.144 -11.949 -9.030 1.00 0.00 C ATOM 1074 O LYS A 66 4.362 -12.845 -9.832 1.00 0.00 O ATOM 1075 CB LYS A 66 2.017 -11.937 -7.689 1.00 0.00 C ATOM 1076 CG LYS A 66 1.238 -12.293 -8.972 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.243 -11.882 -8.926 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.951 -12.153 -10.256 1.00 0.00 C ATOM 1079 NZ LYS A 66 -2.387 -11.803 -10.210 1.00 0.00 N ATOM 0 H LYS A 66 3.790 -10.692 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 66 3.616 -13.366 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.554 -12.452 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.913 -10.868 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.715 -11.807 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.303 -13.368 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.747 -12.428 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.318 -10.822 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.465 -11.581 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.844 -13.207 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.823 -12.004 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.858 -12.367 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.491 -10.792 -9.991 1.00 0.00 H new ATOM 1093 N LEU A 67 4.406 -10.642 -9.279 1.00 0.00 N ATOM 1094 CA LEU A 67 5.185 -10.202 -10.444 1.00 0.00 C ATOM 1095 C LEU A 67 6.542 -10.935 -10.532 1.00 0.00 C ATOM 1096 O LEU A 67 6.881 -11.519 -11.569 1.00 0.00 O ATOM 1097 CB LEU A 67 5.327 -8.646 -10.391 1.00 0.00 C ATOM 1098 CG LEU A 67 3.975 -7.841 -10.376 1.00 0.00 C ATOM 1099 CD1 LEU A 67 4.215 -6.316 -10.297 1.00 0.00 C ATOM 1100 CD2 LEU A 67 3.076 -8.196 -11.589 1.00 0.00 C ATOM 0 H LEU A 67 4.085 -9.880 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 67 4.661 -10.466 -11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.897 -8.381 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.912 -8.323 -11.252 1.00 0.00 H new ATOM 0 HG LEU A 67 3.444 -8.141 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.257 -5.797 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.763 -6.081 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.795 -5.994 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.153 -7.618 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.603 -7.960 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.839 -9.260 -11.568 1.00 0.00 H new ATOM 1112 N MET A 68 7.323 -10.848 -9.461 1.00 0.00 N ATOM 1113 CA MET A 68 8.523 -11.676 -9.198 1.00 0.00 C ATOM 1114 C MET A 68 8.347 -13.206 -9.476 1.00 0.00 C ATOM 1115 O MET A 68 9.316 -13.849 -9.905 1.00 0.00 O ATOM 1116 CB MET A 68 9.003 -11.410 -7.741 1.00 0.00 C ATOM 1117 CG MET A 68 9.304 -9.921 -7.480 1.00 0.00 C ATOM 1118 SD MET A 68 9.690 -9.500 -5.758 1.00 0.00 S ATOM 1119 CE MET A 68 9.790 -7.694 -5.848 1.00 0.00 C ATOM 0 H MET A 68 7.141 -10.176 -8.715 1.00 0.00 H new ATOM 0 HA MET A 68 9.283 -11.369 -9.917 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.239 -11.750 -7.042 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.899 -11.998 -7.544 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.144 -9.621 -8.107 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.443 -9.332 -7.797 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.739 -7.361 -5.428 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.722 -7.377 -6.889 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.969 -7.255 -5.281 1.00 0.00 H new ATOM 1129 N LYS A 69 7.150 -13.806 -9.228 1.00 0.00 N ATOM 1130 CA LYS A 69 6.892 -15.244 -9.638 1.00 0.00 C ATOM 1131 C LYS A 69 6.042 -15.400 -10.939 1.00 0.00 C ATOM 1132 O LYS A 69 5.682 -16.537 -11.292 1.00 0.00 O ATOM 1133 CB LYS A 69 6.231 -16.078 -8.498 1.00 0.00 C ATOM 1134 CG LYS A 69 4.774 -15.697 -8.167 1.00 0.00 C ATOM 1135 CD LYS A 69 4.121 -16.647 -7.141 1.00 0.00 C ATOM 1136 CE LYS A 69 2.660 -16.281 -6.833 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.051 -17.234 -5.870 1.00 0.00 N ATOM 0 H LYS A 69 6.365 -13.349 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 69 7.888 -15.635 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.260 -17.131 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.832 -15.970 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.750 -14.679 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.185 -15.702 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.162 -17.668 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.698 -16.627 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.615 -15.271 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.082 -16.277 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.066 -16.958 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.072 -18.193 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.588 -17.219 -4.980 1.00 0.00 H new ATOM 1151 N MET A 70 5.726 -14.286 -11.646 1.00 0.00 N ATOM 1152 CA MET A 70 4.945 -14.325 -12.923 1.00 0.00 C ATOM 1153 C MET A 70 5.674 -15.172 -13.984 1.00 0.00 C ATOM 1154 O MET A 70 6.908 -15.252 -13.957 1.00 0.00 O ATOM 1155 CB MET A 70 4.672 -12.896 -13.489 1.00 0.00 C ATOM 1156 CG MET A 70 3.542 -12.143 -12.785 1.00 0.00 C ATOM 1157 SD MET A 70 1.914 -12.879 -13.011 1.00 0.00 S ATOM 1158 CE MET A 70 1.542 -12.330 -14.667 1.00 0.00 C ATOM 0 H MET A 70 5.997 -13.346 -11.359 1.00 0.00 H new ATOM 0 HA MET A 70 3.984 -14.784 -12.691 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.586 -12.308 -13.413 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.432 -12.978 -14.549 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.762 -12.094 -11.719 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.519 -11.117 -13.153 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.666 -11.681 -14.647 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.393 -11.779 -15.067 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.339 -13.194 -15.300 1.00 0.00 H new ATOM 1168 N PRO A 71 4.926 -15.841 -14.918 1.00 0.00 N ATOM 1169 CA PRO A 71 5.552 -16.651 -15.971 1.00 0.00 C ATOM 1170 C PRO A 71 6.346 -15.787 -16.978 1.00 0.00 C ATOM 1171 O PRO A 71 7.578 -15.823 -16.965 1.00 0.00 O ATOM 1172 CB PRO A 71 4.371 -17.417 -16.620 1.00 0.00 C ATOM 1173 CG PRO A 71 3.162 -16.595 -16.310 1.00 0.00 C ATOM 1174 CD PRO A 71 3.434 -15.896 -14.997 1.00 0.00 C ATOM 0 HA PRO A 71 6.303 -17.337 -15.578 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.512 -17.522 -17.696 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.280 -18.423 -16.211 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.974 -15.870 -17.102 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.275 -17.224 -16.236 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.996 -14.898 -14.978 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.010 -16.446 -14.157 1.00 0.00 H new ATOM 1182 N PHE A 72 5.651 -14.988 -17.828 1.00 0.00 N ATOM 1183 CA PHE A 72 6.303 -14.305 -18.974 1.00 0.00 C ATOM 1184 C PHE A 72 6.373 -12.796 -18.622 1.00 0.00 C ATOM 1185 O PHE A 72 5.382 -12.228 -18.189 1.00 0.00 O ATOM 1186 CB PHE A 72 5.508 -14.515 -20.279 1.00 0.00 C ATOM 1187 CG PHE A 72 5.392 -15.978 -20.704 1.00 0.00 C ATOM 1188 CD1 PHE A 72 4.322 -16.760 -20.265 1.00 0.00 C ATOM 1189 CD2 PHE A 72 6.341 -16.568 -21.536 1.00 0.00 C ATOM 1190 CE1 PHE A 72 4.205 -18.080 -20.640 1.00 0.00 C ATOM 1191 CE2 PHE A 72 6.222 -17.892 -21.912 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.153 -18.646 -21.464 1.00 0.00 C ATOM 0 H PHE A 72 4.652 -14.803 -17.743 1.00 0.00 H new ATOM 0 HA PHE A 72 7.298 -14.717 -19.141 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.507 -14.103 -20.153 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.987 -13.951 -21.079 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.574 -16.323 -19.621 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.178 -15.985 -21.890 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.372 -18.670 -20.289 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.965 -18.339 -22.557 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.061 -19.680 -21.761 1.00 0.00 H new ATOM 1202 N GLN A 73 7.552 -12.167 -18.771 1.00 0.00 N ATOM 1203 CA GLN A 73 7.778 -10.747 -18.367 1.00 0.00 C ATOM 1204 C GLN A 73 8.955 -10.090 -19.119 1.00 0.00 C ATOM 1205 O GLN A 73 9.705 -10.781 -19.820 1.00 0.00 O ATOM 1206 CB GLN A 73 7.995 -10.634 -16.828 1.00 0.00 C ATOM 1207 CG GLN A 73 9.247 -11.340 -16.245 1.00 0.00 C ATOM 1208 CD GLN A 73 9.132 -12.869 -16.189 1.00 0.00 C ATOM 1209 OE1 GLN A 73 9.516 -13.583 -17.117 1.00 0.00 O ATOM 1210 NE2 GLN A 73 8.583 -13.380 -15.098 1.00 0.00 N ATOM 0 H GLN A 73 8.376 -12.615 -19.171 1.00 0.00 H new ATOM 0 HA GLN A 73 6.875 -10.203 -18.644 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.050 -9.577 -16.569 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.114 -11.039 -16.330 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.115 -11.073 -16.847 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.429 -10.962 -15.239 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.274 -12.764 -14.346 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.469 -14.390 -15.010 1.00 0.00 H new ATOM 1219 N ARG A 74 9.103 -8.748 -18.922 1.00 0.00 N ATOM 1220 CA ARG A 74 10.230 -7.932 -19.454 1.00 0.00 C ATOM 1221 C ARG A 74 10.066 -6.447 -19.030 1.00 0.00 C ATOM 1222 O ARG A 74 9.169 -6.109 -18.272 1.00 0.00 O ATOM 1223 CB ARG A 74 10.328 -8.028 -21.017 1.00 0.00 C ATOM 1224 CG ARG A 74 9.187 -7.336 -21.811 1.00 0.00 C ATOM 1225 CD ARG A 74 9.347 -7.491 -23.338 1.00 0.00 C ATOM 1226 NE ARG A 74 8.424 -6.613 -24.092 1.00 0.00 N ATOM 1227 CZ ARG A 74 7.706 -6.961 -25.176 1.00 0.00 C ATOM 1228 NH1 ARG A 74 7.660 -8.210 -25.601 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.013 -6.044 -25.819 1.00 0.00 N ATOM 0 H ARG A 74 8.434 -8.198 -18.383 1.00 0.00 H new ATOM 0 HA ARG A 74 11.152 -8.332 -19.032 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.278 -7.594 -21.330 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.352 -9.081 -21.296 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.229 -7.757 -21.505 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.164 -6.276 -21.558 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.375 -7.260 -23.619 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.166 -8.529 -23.616 1.00 0.00 H new ATOM 0 HE ARG A 74 8.323 -5.654 -23.759 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.176 -8.937 -25.105 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.108 -8.448 -26.425 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.023 -5.077 -25.495 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.467 -6.301 -26.641 1.00 0.00 H new ATOM 1243 N ALA A 75 10.963 -5.588 -19.545 1.00 0.00 N ATOM 1244 CA ALA A 75 10.827 -4.102 -19.520 1.00 0.00 C ATOM 1245 C ALA A 75 10.486 -3.672 -20.949 1.00 0.00 C ATOM 1246 O ALA A 75 10.939 -4.341 -21.892 1.00 0.00 O ATOM 1247 CB ALA A 75 12.111 -3.424 -19.018 1.00 0.00 C ATOM 0 H ALA A 75 11.820 -5.901 -20.000 1.00 0.00 H new ATOM 0 HA ALA A 75 10.043 -3.798 -18.826 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.974 -2.343 -19.014 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.331 -3.766 -18.007 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.940 -3.682 -19.677 1.00 0.00 H new ATOM 1253 N ILE A 76 9.705 -2.587 -21.186 1.00 0.00 N ATOM 1254 CA ILE A 76 9.109 -2.353 -22.521 1.00 0.00 C ATOM 1255 C ILE A 76 9.950 -1.300 -23.284 1.00 0.00 C ATOM 1256 O ILE A 76 10.084 -0.161 -22.832 1.00 0.00 O ATOM 1257 CB ILE A 76 7.613 -1.853 -22.403 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.721 -2.858 -21.589 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.992 -1.566 -23.796 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.594 -4.262 -22.188 1.00 0.00 C ATOM 0 H ILE A 76 9.479 -1.878 -20.488 1.00 0.00 H new ATOM 0 HA ILE A 76 9.109 -3.297 -23.066 1.00 0.00 H new ATOM 0 HB ILE A 76 7.640 -0.914 -21.850 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.130 -2.947 -20.583 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.722 -2.432 -21.490 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.964 -1.225 -23.673 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.573 -0.794 -24.301 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.003 -2.477 -24.394 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.958 -4.874 -21.549 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.152 -4.195 -23.182 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.582 -4.717 -22.260 1.00 0.00 H new ATOM 1272 N THR A 77 10.525 -1.721 -24.421 1.00 0.00 N ATOM 1273 CA THR A 77 11.325 -0.863 -25.331 1.00 0.00 C ATOM 1274 C THR A 77 10.471 0.253 -25.977 1.00 0.00 C ATOM 1275 O THR A 77 9.245 0.203 -25.925 1.00 0.00 O ATOM 1276 CB THR A 77 11.961 -1.743 -26.459 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.918 -2.390 -27.213 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.909 -2.818 -25.897 1.00 0.00 C ATOM 0 H THR A 77 10.450 -2.685 -24.747 1.00 0.00 H new ATOM 0 HA THR A 77 12.103 -0.387 -24.734 1.00 0.00 H new ATOM 0 HB THR A 77 12.545 -1.079 -27.097 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.318 -2.939 -27.920 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.325 -3.402 -26.718 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.718 -2.338 -25.347 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.356 -3.476 -25.227 1.00 0.00 H new ATOM 1286 N LYS A 78 11.123 1.145 -26.762 1.00 0.00 N ATOM 1287 CA LYS A 78 10.500 2.413 -27.234 1.00 0.00 C ATOM 1288 C LYS A 78 9.685 2.184 -28.527 1.00 0.00 C ATOM 1289 O LYS A 78 8.960 3.064 -29.005 1.00 0.00 O ATOM 1290 CB LYS A 78 11.591 3.474 -27.467 1.00 0.00 C ATOM 1291 CG LYS A 78 12.341 3.901 -26.188 1.00 0.00 C ATOM 1292 CD LYS A 78 13.330 5.077 -26.400 1.00 0.00 C ATOM 1293 CE LYS A 78 12.641 6.375 -26.884 1.00 0.00 C ATOM 1294 NZ LYS A 78 12.360 6.387 -28.346 1.00 0.00 N ATOM 0 H LYS A 78 12.082 1.012 -27.084 1.00 0.00 H new ATOM 0 HA LYS A 78 9.813 2.768 -26.466 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.313 3.085 -28.185 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.135 4.355 -27.919 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.612 4.185 -25.429 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.890 3.044 -25.798 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.851 5.278 -25.464 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.085 4.781 -27.128 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.705 6.505 -26.341 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.274 7.227 -26.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.801 7.224 -28.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.750 5.527 -28.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.332 6.418 -28.502 1.00 0.00 H new ATOM 1308 N LYS A 79 9.786 0.948 -28.998 1.00 0.00 N ATOM 1309 CA LYS A 79 9.169 0.469 -30.230 1.00 0.00 C ATOM 1310 C LYS A 79 7.726 0.080 -29.933 1.00 0.00 C ATOM 1311 O LYS A 79 6.802 0.422 -30.683 1.00 0.00 O ATOM 1312 CB LYS A 79 9.977 -0.723 -30.812 1.00 0.00 C ATOM 1313 CG LYS A 79 11.432 -0.368 -31.201 1.00 0.00 C ATOM 1314 CD LYS A 79 11.507 0.733 -32.284 1.00 0.00 C ATOM 1315 CE LYS A 79 12.952 1.100 -32.670 1.00 0.00 C ATOM 1316 NZ LYS A 79 12.997 2.152 -33.720 1.00 0.00 N ATOM 0 H LYS A 79 10.319 0.224 -28.516 1.00 0.00 H new ATOM 0 HA LYS A 79 9.173 1.256 -30.984 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.994 -1.529 -30.079 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.459 -1.104 -31.692 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.971 -0.036 -30.313 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.936 -1.264 -31.564 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.973 0.397 -33.173 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.995 1.625 -31.923 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.487 1.447 -31.786 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.470 0.209 -33.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.987 2.370 -33.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.509 1.812 -34.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.526 3.011 -33.371 1.00 0.00 H new ATOM 1330 N GLU A 80 7.540 -0.615 -28.804 1.00 0.00 N ATOM 1331 CA GLU A 80 6.235 -1.074 -28.328 1.00 0.00 C ATOM 1332 C GLU A 80 5.597 0.057 -27.486 1.00 0.00 C ATOM 1333 O GLU A 80 4.386 0.156 -27.374 1.00 0.00 O ATOM 1334 CB GLU A 80 6.452 -2.348 -27.486 1.00 0.00 C ATOM 1335 CG GLU A 80 7.227 -3.457 -28.220 1.00 0.00 C ATOM 1336 CD GLU A 80 6.544 -3.914 -29.520 1.00 0.00 C ATOM 1337 OE1 GLU A 80 5.565 -4.689 -29.461 1.00 0.00 O ATOM 1338 OE2 GLU A 80 6.981 -3.486 -30.611 1.00 0.00 O ATOM 0 H GLU A 80 8.308 -0.877 -28.186 1.00 0.00 H new ATOM 0 HA GLU A 80 5.564 -1.310 -29.154 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.991 -2.083 -26.576 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.482 -2.739 -27.179 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.230 -3.099 -28.451 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.339 -4.314 -27.556 1.00 0.00 H new ATOM 1345 N GLN A 81 6.496 0.845 -26.853 1.00 0.00 N ATOM 1346 CA GLN A 81 6.092 2.180 -26.345 1.00 0.00 C ATOM 1347 C GLN A 81 5.505 3.098 -27.431 1.00 0.00 C ATOM 1348 O GLN A 81 4.536 3.815 -27.156 1.00 0.00 O ATOM 1349 CB GLN A 81 7.232 2.887 -25.571 1.00 0.00 C ATOM 1350 CG GLN A 81 7.628 2.188 -24.247 1.00 0.00 C ATOM 1351 CD GLN A 81 8.821 2.835 -23.526 1.00 0.00 C ATOM 1352 OE1 GLN A 81 9.670 3.485 -24.139 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.932 2.606 -22.224 1.00 0.00 N ATOM 0 H GLN A 81 7.470 0.595 -26.685 1.00 0.00 H new ATOM 0 HA GLN A 81 5.285 1.982 -25.639 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.110 2.947 -26.214 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.927 3.910 -25.352 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.768 2.190 -23.577 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.866 1.145 -24.457 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.216 2.065 -21.738 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.733 2.971 -21.708 1.00 0.00 H new ATOM 1362 N ALA A 82 6.064 3.090 -28.658 1.00 0.00 N ATOM 1363 CA ALA A 82 5.522 3.944 -29.738 1.00 0.00 C ATOM 1364 C ALA A 82 4.162 3.399 -30.236 1.00 0.00 C ATOM 1365 O ALA A 82 3.283 4.167 -30.649 1.00 0.00 O ATOM 1366 CB ALA A 82 6.511 4.031 -30.902 1.00 0.00 C ATOM 0 H ALA A 82 6.867 2.520 -28.923 1.00 0.00 H new ATOM 0 HA ALA A 82 5.368 4.944 -29.333 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.095 4.663 -31.686 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.450 4.459 -30.551 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.694 3.033 -31.299 1.00 0.00 H new ATOM 1372 N ASP A 83 4.004 2.060 -30.188 1.00 0.00 N ATOM 1373 CA ASP A 83 2.793 1.359 -30.653 1.00 0.00 C ATOM 1374 C ASP A 83 2.256 0.451 -29.539 1.00 0.00 C ATOM 1375 O ASP A 83 2.367 -0.782 -29.607 1.00 0.00 O ATOM 1376 CB ASP A 83 3.101 0.551 -31.946 1.00 0.00 C ATOM 1377 CG ASP A 83 3.513 1.456 -33.113 1.00 0.00 C ATOM 1378 OD1 ASP A 83 2.626 1.938 -33.840 1.00 0.00 O ATOM 1379 OD2 ASP A 83 4.724 1.708 -33.300 1.00 0.00 O ATOM 0 H ASP A 83 4.720 1.432 -29.822 1.00 0.00 H new ATOM 0 HA ASP A 83 2.022 2.091 -30.895 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.899 -0.164 -31.744 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.221 -0.026 -32.230 1.00 0.00 H new ATOM 1384 N MET A 84 1.699 1.094 -28.489 1.00 0.00 N ATOM 1385 CA MET A 84 1.131 0.404 -27.304 1.00 0.00 C ATOM 1386 C MET A 84 -0.109 -0.433 -27.684 1.00 0.00 C ATOM 1387 O MET A 84 -0.352 -1.472 -27.087 1.00 0.00 O ATOM 1388 CB MET A 84 0.771 1.442 -26.185 1.00 0.00 C ATOM 1389 CG MET A 84 1.373 1.130 -24.816 1.00 0.00 C ATOM 1390 SD MET A 84 3.169 1.264 -24.860 1.00 0.00 S ATOM 1391 CE MET A 84 3.626 0.500 -23.318 1.00 0.00 C ATOM 0 H MET A 84 1.629 2.110 -28.437 1.00 0.00 H new ATOM 0 HA MET A 84 1.889 -0.278 -26.918 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.109 2.429 -26.500 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.314 1.492 -26.088 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.971 1.818 -24.072 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.086 0.124 -24.509 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.711 0.513 -23.213 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.175 1.049 -22.492 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.273 -0.531 -23.304 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.861 0.051 -28.681 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.102 -0.616 -29.117 1.00 0.00 C ATOM 1403 C GLY A 85 -1.821 -1.994 -29.704 1.00 0.00 C ATOM 1404 O GLY A 85 -2.381 -2.999 -29.256 1.00 0.00 O ATOM 0 H GLY A 85 -0.636 0.899 -29.201 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.781 -0.712 -28.270 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.606 0.001 -29.861 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.924 -2.007 -30.700 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.389 -3.241 -31.320 1.00 0.00 C ATOM 1410 C LYS A 86 0.339 -4.132 -30.281 1.00 0.00 C ATOM 1411 O LYS A 86 0.205 -5.364 -30.316 1.00 0.00 O ATOM 1412 CB LYS A 86 0.541 -2.827 -32.505 1.00 0.00 C ATOM 1413 CG LYS A 86 1.172 -3.980 -33.344 1.00 0.00 C ATOM 1414 CD LYS A 86 2.522 -4.496 -32.794 1.00 0.00 C ATOM 1415 CE LYS A 86 3.620 -3.422 -32.782 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.923 -3.994 -32.385 1.00 0.00 N ATOM 0 H LYS A 86 -0.541 -1.154 -31.107 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.207 -3.850 -31.704 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.032 -2.191 -33.180 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.351 -2.217 -32.104 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.468 -4.811 -33.387 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.318 -3.633 -34.367 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.376 -4.868 -31.780 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.855 -5.340 -33.398 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.704 -2.973 -33.772 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.345 -2.624 -32.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.419 -3.327 -31.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.769 -4.891 -31.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.499 -4.167 -33.233 1.00 0.00 H new ATOM 1430 N LEU A 87 1.144 -3.469 -29.421 1.00 0.00 N ATOM 1431 CA LEU A 87 1.902 -4.167 -28.349 1.00 0.00 C ATOM 1432 C LEU A 87 0.948 -5.060 -27.512 1.00 0.00 C ATOM 1433 O LEU A 87 1.105 -6.278 -27.470 1.00 0.00 O ATOM 1434 CB LEU A 87 2.634 -3.163 -27.406 1.00 0.00 C ATOM 1435 CG LEU A 87 3.100 -3.731 -26.014 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.103 -4.898 -26.155 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.653 -2.616 -25.109 1.00 0.00 C ATOM 0 H LEU A 87 1.288 -2.459 -29.444 1.00 0.00 H new ATOM 0 HA LEU A 87 2.656 -4.786 -28.836 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.509 -2.777 -27.929 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.971 -2.316 -27.226 1.00 0.00 H new ATOM 0 HG LEU A 87 2.213 -4.142 -25.532 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.391 -5.252 -25.165 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.638 -5.713 -26.710 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.989 -4.554 -26.690 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.966 -3.043 -24.156 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.508 -2.145 -25.594 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.877 -1.870 -24.936 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.015 -4.408 -26.846 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.999 -5.047 -25.959 1.00 0.00 C ATOM 1451 C LYS A 88 -1.892 -6.057 -26.714 1.00 0.00 C ATOM 1452 O LYS A 88 -2.303 -7.078 -26.144 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.829 -3.923 -25.269 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.959 -2.958 -24.417 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.750 -1.883 -23.627 1.00 0.00 C ATOM 1456 CE LYS A 88 -2.246 -2.374 -22.247 1.00 0.00 C ATOM 1457 NZ LYS A 88 -3.237 -3.479 -22.331 1.00 0.00 N ATOM 0 H LYS A 88 -0.135 -3.397 -26.910 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.482 -5.634 -25.200 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.357 -3.350 -26.031 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.586 -4.379 -24.631 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.374 -3.548 -23.711 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.251 -2.455 -25.075 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.117 -1.007 -23.486 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.607 -1.564 -24.220 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.390 -2.708 -21.660 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.692 -1.536 -21.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.772 -3.534 -21.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.892 -3.299 -23.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.741 -4.379 -22.492 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.156 -5.772 -28.015 1.00 0.00 N ATOM 1472 CA LYS A 89 -2.915 -6.671 -28.933 1.00 0.00 C ATOM 1473 C LYS A 89 -2.153 -7.997 -29.241 1.00 0.00 C ATOM 1474 O LYS A 89 -2.723 -8.955 -29.791 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.179 -5.895 -30.251 1.00 0.00 C ATOM 1476 CG LYS A 89 -4.108 -6.594 -31.258 1.00 0.00 C ATOM 1477 CD LYS A 89 -4.264 -5.814 -32.587 1.00 0.00 C ATOM 1478 CE LYS A 89 -4.776 -4.375 -32.399 1.00 0.00 C ATOM 1479 NZ LYS A 89 -4.906 -3.660 -33.695 1.00 0.00 N ATOM 0 H LYS A 89 -1.848 -4.908 -28.462 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.848 -6.956 -28.446 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.608 -4.925 -30.001 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.222 -5.705 -30.738 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.718 -7.589 -31.472 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.090 -6.727 -30.805 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.301 -5.785 -33.097 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.952 -6.354 -33.237 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.744 -4.396 -31.897 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.092 -3.828 -31.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.253 -2.695 -33.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.978 -3.617 -34.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.578 -4.167 -34.306 1.00 0.00 H new ATOM 1493 N SER A 90 -0.891 -8.053 -28.823 1.00 0.00 N ATOM 1494 CA SER A 90 0.002 -9.193 -29.106 1.00 0.00 C ATOM 1495 C SER A 90 0.202 -10.089 -27.875 1.00 0.00 C ATOM 1496 O SER A 90 0.853 -11.123 -27.972 1.00 0.00 O ATOM 1497 CB SER A 90 1.371 -8.670 -29.605 1.00 0.00 C ATOM 1498 OG SER A 90 2.208 -9.727 -30.053 1.00 0.00 O ATOM 0 H SER A 90 -0.450 -7.313 -28.277 1.00 0.00 H new ATOM 0 HA SER A 90 -0.469 -9.800 -29.879 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.215 -7.961 -30.418 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.868 -8.128 -28.800 1.00 0.00 H new ATOM 0 HG SER A 90 1.930 -10.566 -29.630 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.410 -9.737 -26.733 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.064 -10.381 -25.445 1.00 0.00 C ATOM 1506 C VAL A 91 -1.197 -11.287 -24.920 1.00 0.00 C ATOM 1507 O VAL A 91 -1.046 -12.509 -24.930 1.00 0.00 O ATOM 1508 CB VAL A 91 0.321 -9.312 -24.361 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.944 -9.983 -23.125 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.262 -8.222 -24.928 1.00 0.00 C ATOM 0 H VAL A 91 -1.136 -9.023 -26.669 1.00 0.00 H new ATOM 0 HA VAL A 91 0.802 -11.014 -25.638 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.601 -8.817 -24.057 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.202 -9.222 -22.389 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.228 -10.680 -22.690 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.844 -10.523 -23.419 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.502 -7.504 -24.143 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.180 -8.686 -25.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.768 -7.707 -25.752 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.331 -10.663 -24.508 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.451 -11.319 -23.779 1.00 0.00 C ATOM 1522 C ARG A 92 -2.985 -11.716 -22.343 1.00 0.00 C ATOM 1523 O ARG A 92 -3.215 -12.830 -21.868 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.046 -12.515 -24.621 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.571 -12.772 -24.489 1.00 0.00 C ATOM 1526 CD ARG A 92 -5.988 -13.446 -23.168 1.00 0.00 C ATOM 1527 NE ARG A 92 -5.387 -14.789 -23.016 1.00 0.00 N ATOM 1528 CZ ARG A 92 -5.139 -15.403 -21.851 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.374 -14.799 -20.693 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -4.647 -16.628 -21.856 1.00 0.00 N ATOM 0 H ARG A 92 -2.497 -9.671 -24.676 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.277 -10.619 -23.653 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.821 -12.335 -25.672 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.522 -13.427 -24.334 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.097 -11.822 -24.580 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.896 -13.397 -25.321 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.687 -12.817 -22.330 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.074 -13.529 -23.131 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.141 -15.290 -23.870 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.750 -13.851 -20.679 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.179 -15.283 -19.817 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.459 -17.098 -22.741 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.455 -17.104 -20.975 1.00 0.00 H new ATOM 1544 N GLY A 93 -2.293 -10.770 -21.676 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.879 -10.918 -20.261 1.00 0.00 C ATOM 1546 C GLY A 93 -1.080 -9.716 -19.740 1.00 0.00 C ATOM 1547 O GLY A 93 -0.531 -9.748 -18.638 1.00 0.00 O ATOM 0 H GLY A 93 -2.006 -9.887 -22.097 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.765 -11.054 -19.641 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.276 -11.820 -20.157 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.075 -8.641 -20.545 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.159 -7.509 -20.332 1.00 0.00 C ATOM 1553 C LEU A 94 -0.553 -6.611 -19.126 1.00 0.00 C ATOM 1554 O LEU A 94 -1.616 -6.000 -19.083 1.00 0.00 O ATOM 1555 CB LEU A 94 0.121 -6.665 -21.600 1.00 0.00 C ATOM 1556 CG LEU A 94 1.360 -5.699 -21.486 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.606 -6.401 -20.860 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.728 -5.094 -22.853 1.00 0.00 C ATOM 0 H LEU A 94 -1.694 -8.532 -21.348 1.00 0.00 H new ATOM 0 HA LEU A 94 0.786 -7.989 -20.077 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.279 -7.340 -22.441 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.765 -6.073 -21.829 1.00 0.00 H new ATOM 0 HG LEU A 94 1.059 -4.895 -20.815 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.433 -5.693 -20.804 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.360 -6.753 -19.858 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.896 -7.249 -21.481 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.587 -4.432 -22.739 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.977 -5.894 -23.550 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.882 -4.526 -23.239 1.00 0.00 H new ATOM 1570 N VAL A 95 0.380 -6.605 -18.170 1.00 0.00 N ATOM 1571 CA VAL A 95 0.407 -5.755 -16.961 1.00 0.00 C ATOM 1572 C VAL A 95 1.577 -4.786 -17.147 1.00 0.00 C ATOM 1573 O VAL A 95 2.671 -5.262 -17.400 1.00 0.00 O ATOM 1574 CB VAL A 95 0.623 -6.613 -15.650 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.745 -5.726 -14.384 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.498 -7.665 -15.482 1.00 0.00 C ATOM 0 H VAL A 95 1.187 -7.227 -18.215 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.543 -5.234 -16.842 1.00 0.00 H new ATOM 0 HB VAL A 95 1.571 -7.139 -15.766 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.892 -6.359 -13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.595 -5.053 -14.492 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.167 -5.142 -14.260 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.324 -8.240 -14.573 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.462 -7.161 -15.414 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.499 -8.336 -16.341 1.00 0.00 H new ATOM 1586 N VAL A 96 1.385 -3.442 -17.030 1.00 0.00 N ATOM 1587 CA VAL A 96 2.446 -2.452 -17.357 1.00 0.00 C ATOM 1588 C VAL A 96 2.591 -1.488 -16.149 1.00 0.00 C ATOM 1589 O VAL A 96 1.652 -0.760 -15.806 1.00 0.00 O ATOM 1590 CB VAL A 96 2.132 -1.614 -18.663 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.294 -0.657 -19.017 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.810 -2.530 -19.865 1.00 0.00 C ATOM 0 H VAL A 96 0.510 -3.024 -16.714 1.00 0.00 H new ATOM 0 HA VAL A 96 3.369 -2.999 -17.552 1.00 0.00 H new ATOM 0 HB VAL A 96 1.248 -1.014 -18.446 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.043 -0.098 -19.919 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.457 0.038 -18.193 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.202 -1.235 -19.189 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.600 -1.918 -20.742 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.664 -3.176 -20.069 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.939 -3.142 -19.633 1.00 0.00 H new ATOM 1602 N VAL A 97 3.768 -1.519 -15.498 1.00 0.00 N ATOM 1603 CA VAL A 97 4.043 -0.728 -14.274 1.00 0.00 C ATOM 1604 C VAL A 97 4.958 0.467 -14.622 1.00 0.00 C ATOM 1605 O VAL A 97 6.056 0.271 -15.151 1.00 0.00 O ATOM 1606 CB VAL A 97 4.706 -1.609 -13.148 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.689 -0.872 -11.783 1.00 0.00 C ATOM 1608 CG2 VAL A 97 4.031 -3.003 -13.042 1.00 0.00 C ATOM 0 H VAL A 97 4.557 -2.090 -15.801 1.00 0.00 H new ATOM 0 HA VAL A 97 3.092 -0.362 -13.888 1.00 0.00 H new ATOM 0 HB VAL A 97 5.746 -1.773 -13.429 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.152 -1.502 -11.024 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.244 0.063 -11.867 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.659 -0.658 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.514 -3.582 -12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.975 -2.879 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.129 -3.528 -13.992 1.00 0.00 H new ATOM 1618 N HIS A 98 4.501 1.703 -14.325 1.00 0.00 N ATOM 1619 CA HIS A 98 5.172 2.953 -14.740 1.00 0.00 C ATOM 1620 C HIS A 98 6.018 3.493 -13.552 1.00 0.00 C ATOM 1621 O HIS A 98 5.587 3.369 -12.403 1.00 0.00 O ATOM 1622 CB HIS A 98 4.077 3.977 -15.162 1.00 0.00 C ATOM 1623 CG HIS A 98 4.593 5.332 -15.591 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.822 6.341 -14.682 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.905 5.788 -16.831 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.260 7.368 -15.388 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.326 7.077 -16.686 1.00 0.00 N ATOM 0 H HIS A 98 3.649 1.862 -13.786 1.00 0.00 H new ATOM 0 HA HIS A 98 5.840 2.780 -15.583 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.500 3.550 -15.982 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.390 4.115 -14.327 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.833 5.235 -17.756 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.531 8.324 -14.965 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.634 7.701 -17.432 1.00 0.00 H new ATOM 1635 N PRO A 99 7.231 4.091 -13.807 1.00 0.00 N ATOM 1636 CA PRO A 99 8.134 4.608 -12.741 1.00 0.00 C ATOM 1637 C PRO A 99 7.499 5.655 -11.782 1.00 0.00 C ATOM 1638 O PRO A 99 7.546 5.506 -10.551 1.00 0.00 O ATOM 1639 CB PRO A 99 9.302 5.254 -13.549 1.00 0.00 C ATOM 1640 CG PRO A 99 8.794 5.401 -14.949 1.00 0.00 C ATOM 1641 CD PRO A 99 7.854 4.252 -15.149 1.00 0.00 C ATOM 0 HA PRO A 99 8.424 3.801 -12.068 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.580 6.221 -13.130 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.192 4.626 -13.520 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.284 6.355 -15.085 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.611 5.371 -15.670 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.110 4.468 -15.916 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.380 3.350 -15.460 1.00 0.00 H new ATOM 1649 N MET A 100 6.913 6.709 -12.374 1.00 0.00 N ATOM 1650 CA MET A 100 6.566 7.946 -11.634 1.00 0.00 C ATOM 1651 C MET A 100 5.184 7.864 -10.972 1.00 0.00 C ATOM 1652 O MET A 100 4.768 8.806 -10.282 1.00 0.00 O ATOM 1653 CB MET A 100 6.648 9.174 -12.578 1.00 0.00 C ATOM 1654 CG MET A 100 7.958 9.282 -13.378 1.00 0.00 C ATOM 1655 SD MET A 100 8.144 10.869 -14.224 1.00 0.00 S ATOM 1656 CE MET A 100 6.604 10.992 -15.150 1.00 0.00 C ATOM 0 H MET A 100 6.667 6.734 -13.364 1.00 0.00 H new ATOM 0 HA MET A 100 7.294 8.060 -10.831 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.813 9.134 -13.277 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.524 10.080 -11.985 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.802 9.136 -12.704 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.995 8.478 -14.114 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.644 11.860 -15.809 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.465 10.090 -15.746 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.770 11.101 -14.456 1.00 0.00 H new ATOM 1666 N THR A 101 4.488 6.733 -11.174 1.00 0.00 N ATOM 1667 CA THR A 101 3.221 6.439 -10.480 1.00 0.00 C ATOM 1668 C THR A 101 3.483 6.047 -9.017 1.00 0.00 C ATOM 1669 O THR A 101 4.639 6.018 -8.560 1.00 0.00 O ATOM 1670 CB THR A 101 2.430 5.288 -11.186 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.222 4.089 -11.205 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.007 5.678 -12.614 1.00 0.00 C ATOM 0 H THR A 101 4.784 6.000 -11.819 1.00 0.00 H new ATOM 0 HA THR A 101 2.619 7.347 -10.514 1.00 0.00 H new ATOM 0 HB THR A 101 1.519 5.108 -10.615 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.964 4.197 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.461 4.852 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.367 6.560 -12.576 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.893 5.899 -13.209 1.00 0.00 H new ATOM 1680 N ALA A 102 2.387 5.767 -8.291 1.00 0.00 N ATOM 1681 CA ALA A 102 2.440 5.255 -6.930 1.00 0.00 C ATOM 1682 C ALA A 102 3.252 3.953 -6.885 1.00 0.00 C ATOM 1683 O ALA A 102 4.333 3.928 -6.300 1.00 0.00 O ATOM 1684 CB ALA A 102 1.014 5.035 -6.385 1.00 0.00 C ATOM 0 H ALA A 102 1.438 5.894 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 102 2.936 5.989 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.069 4.652 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.473 5.981 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.491 4.316 -7.015 1.00 0.00 H new ATOM 1690 N LEU A 103 2.689 2.888 -7.500 1.00 0.00 N ATOM 1691 CA LEU A 103 3.219 1.510 -7.447 1.00 0.00 C ATOM 1692 C LEU A 103 4.698 1.437 -7.923 1.00 0.00 C ATOM 1693 O LEU A 103 5.476 0.662 -7.366 1.00 0.00 O ATOM 1694 CB LEU A 103 2.360 0.528 -8.296 1.00 0.00 C ATOM 1695 CG LEU A 103 2.714 -0.991 -8.121 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.447 -1.475 -6.674 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.979 -1.877 -9.155 1.00 0.00 C ATOM 0 H LEU A 103 1.838 2.966 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 103 3.171 1.209 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.311 0.672 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.469 0.791 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 103 3.783 -1.092 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.703 -2.531 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.056 -0.897 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.393 -1.337 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.252 -2.921 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.902 -1.761 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.265 -1.574 -10.162 1.00 0.00 H new ATOM 1709 N GLY A 104 5.046 2.151 -9.020 1.00 0.00 N ATOM 1710 CA GLY A 104 6.447 2.270 -9.458 1.00 0.00 C ATOM 1711 C GLY A 104 7.402 2.707 -8.337 1.00 0.00 C ATOM 1712 O GLY A 104 8.200 1.896 -7.865 1.00 0.00 O ATOM 0 H GLY A 104 4.378 2.647 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.779 1.310 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.505 2.989 -10.275 1.00 0.00 H new ATOM 1716 N ARG A 105 7.300 3.995 -7.927 1.00 0.00 N ATOM 1717 CA ARG A 105 8.025 4.569 -6.740 1.00 0.00 C ATOM 1718 C ARG A 105 7.989 3.633 -5.490 1.00 0.00 C ATOM 1719 O ARG A 105 8.941 3.579 -4.700 1.00 0.00 O ATOM 1720 CB ARG A 105 7.383 5.939 -6.365 1.00 0.00 C ATOM 1721 CG ARG A 105 7.508 7.045 -7.444 1.00 0.00 C ATOM 1722 CD ARG A 105 6.718 8.323 -7.096 1.00 0.00 C ATOM 1723 NE ARG A 105 7.004 8.800 -5.725 1.00 0.00 N ATOM 1724 CZ ARG A 105 6.338 9.779 -5.090 1.00 0.00 C ATOM 1725 NH1 ARG A 105 5.423 10.501 -5.715 1.00 0.00 N ATOM 1726 NH2 ARG A 105 6.615 10.043 -3.825 1.00 0.00 N ATOM 0 H ARG A 105 6.712 4.678 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 105 9.070 4.685 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.326 5.780 -6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.844 6.298 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.560 7.300 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.154 6.655 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.966 9.107 -7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.650 8.127 -7.195 1.00 0.00 H new ATOM 0 HE ARG A 105 7.768 8.349 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.212 10.319 -6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.928 11.240 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.331 9.505 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.113 10.785 -3.337 1.00 0.00 H new ATOM 1740 N GLU A 106 6.830 2.966 -5.343 1.00 0.00 N ATOM 1741 CA GLU A 106 6.613 1.937 -4.300 1.00 0.00 C ATOM 1742 C GLU A 106 7.709 0.842 -4.391 1.00 0.00 C ATOM 1743 O GLU A 106 8.560 0.750 -3.504 1.00 0.00 O ATOM 1744 CB GLU A 106 5.203 1.282 -4.354 1.00 0.00 C ATOM 1745 CG GLU A 106 4.783 0.546 -3.058 1.00 0.00 C ATOM 1746 CD GLU A 106 4.510 1.523 -1.896 1.00 0.00 C ATOM 1747 OE1 GLU A 106 3.386 2.055 -1.819 1.00 0.00 O ATOM 1748 OE2 GLU A 106 5.425 1.789 -1.087 1.00 0.00 O ATOM 0 H GLU A 106 6.018 3.122 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 106 6.677 2.455 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.466 2.055 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.177 0.574 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.888 -0.045 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.569 -0.151 -2.767 1.00 0.00 H new ATOM 1755 N MET A 107 7.683 0.017 -5.464 1.00 0.00 N ATOM 1756 CA MET A 107 8.649 -1.084 -5.717 1.00 0.00 C ATOM 1757 C MET A 107 10.042 -0.549 -6.145 1.00 0.00 C ATOM 1758 O MET A 107 10.964 -1.336 -6.347 1.00 0.00 O ATOM 1759 CB MET A 107 8.094 -2.052 -6.808 1.00 0.00 C ATOM 1760 CG MET A 107 6.713 -2.667 -6.504 1.00 0.00 C ATOM 1761 SD MET A 107 5.918 -3.400 -7.966 1.00 0.00 S ATOM 1762 CE MET A 107 7.176 -4.524 -8.591 1.00 0.00 C ATOM 0 H MET A 107 6.976 0.098 -6.195 1.00 0.00 H new ATOM 0 HA MET A 107 8.775 -1.626 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.032 -1.511 -7.752 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.810 -2.861 -6.950 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.825 -3.433 -5.737 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.062 -1.896 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.790 -5.054 -9.462 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.062 -3.957 -8.875 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.439 -5.243 -7.815 1.00 0.00 H new ATOM 1772 N GLY A 108 10.172 0.786 -6.299 1.00 0.00 N ATOM 1773 CA GLY A 108 11.446 1.436 -6.644 1.00 0.00 C ATOM 1774 C GLY A 108 11.829 1.295 -8.122 1.00 0.00 C ATOM 1775 O GLY A 108 13.003 1.090 -8.447 1.00 0.00 O ATOM 0 H GLY A 108 9.396 1.439 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.383 2.495 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.239 1.010 -6.030 1.00 0.00 H new ATOM 1779 N LEU A 109 10.831 1.396 -9.014 1.00 0.00 N ATOM 1780 CA LEU A 109 11.049 1.350 -10.480 1.00 0.00 C ATOM 1781 C LEU A 109 11.268 2.778 -11.016 1.00 0.00 C ATOM 1782 O LEU A 109 10.527 3.695 -10.650 1.00 0.00 O ATOM 1783 CB LEU A 109 9.841 0.701 -11.218 1.00 0.00 C ATOM 1784 CG LEU A 109 9.406 -0.727 -10.747 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.246 -1.266 -11.614 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.578 -1.731 -10.740 1.00 0.00 C ATOM 0 H LEU A 109 9.853 1.511 -8.748 1.00 0.00 H new ATOM 0 HA LEU A 109 11.931 0.738 -10.669 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.984 1.367 -11.117 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.081 0.649 -12.280 1.00 0.00 H new ATOM 0 HG LEU A 109 9.062 -0.622 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.963 -2.259 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.390 -0.596 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.566 -1.324 -12.654 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.221 -2.705 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.986 -1.820 -11.747 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.356 -1.378 -10.063 1.00 0.00 H new ATOM 1798 N GLU A 110 12.287 2.947 -11.881 1.00 0.00 N ATOM 1799 CA GLU A 110 12.557 4.217 -12.610 1.00 0.00 C ATOM 1800 C GLU A 110 12.478 3.988 -14.145 1.00 0.00 C ATOM 1801 O GLU A 110 12.821 4.869 -14.941 1.00 0.00 O ATOM 1802 CB GLU A 110 13.926 4.793 -12.196 1.00 0.00 C ATOM 1803 CG GLU A 110 15.110 3.864 -12.495 1.00 0.00 C ATOM 1804 CD GLU A 110 16.460 4.469 -12.074 1.00 0.00 C ATOM 1805 OE1 GLU A 110 16.689 4.667 -10.858 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.297 4.768 -12.956 1.00 0.00 O ATOM 0 H GLU A 110 12.954 2.207 -12.100 1.00 0.00 H new ATOM 0 HA GLU A 110 11.793 4.947 -12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.081 5.740 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.909 5.011 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.963 2.917 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.133 3.643 -13.562 1.00 0.00 H new ATOM 1813 N GLU A 111 11.985 2.794 -14.509 1.00 0.00 N ATOM 1814 CA GLU A 111 11.722 2.400 -15.923 1.00 0.00 C ATOM 1815 C GLU A 111 10.373 1.663 -16.035 1.00 0.00 C ATOM 1816 O GLU A 111 9.980 0.934 -15.106 1.00 0.00 O ATOM 1817 CB GLU A 111 12.870 1.511 -16.487 1.00 0.00 C ATOM 1818 CG GLU A 111 13.143 0.194 -15.711 1.00 0.00 C ATOM 1819 CD GLU A 111 13.821 0.414 -14.339 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.037 0.691 -14.307 1.00 0.00 O ATOM 1821 OE2 GLU A 111 13.137 0.341 -13.289 1.00 0.00 O ATOM 0 H GLU A 111 11.753 2.064 -13.836 1.00 0.00 H new ATOM 0 HA GLU A 111 11.678 3.311 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.636 1.260 -17.522 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.787 2.100 -16.502 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.200 -0.332 -15.561 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.775 -0.452 -16.320 1.00 0.00 H new ATOM 1828 N MET A 112 9.633 1.917 -17.142 1.00 0.00 N ATOM 1829 CA MET A 112 8.366 1.223 -17.449 1.00 0.00 C ATOM 1830 C MET A 112 8.636 -0.261 -17.761 1.00 0.00 C ATOM 1831 O MET A 112 9.309 -0.605 -18.758 1.00 0.00 O ATOM 1832 CB MET A 112 7.646 1.890 -18.652 1.00 0.00 C ATOM 1833 CG MET A 112 6.482 1.068 -19.239 1.00 0.00 C ATOM 1834 SD MET A 112 5.430 2.010 -20.362 1.00 0.00 S ATOM 1835 CE MET A 112 4.502 2.999 -19.189 1.00 0.00 C ATOM 0 H MET A 112 9.900 2.608 -17.843 1.00 0.00 H new ATOM 0 HA MET A 112 7.719 1.296 -16.575 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.265 2.862 -18.337 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.377 2.074 -19.439 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.887 0.207 -19.770 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.873 0.681 -18.422 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.489 4.038 -19.519 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.480 2.625 -19.126 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.972 2.936 -18.208 1.00 0.00 H new ATOM 1845 N THR A 113 8.101 -1.125 -16.905 1.00 0.00 N ATOM 1846 CA THR A 113 8.340 -2.567 -16.964 1.00 0.00 C ATOM 1847 C THR A 113 6.966 -3.227 -17.289 1.00 0.00 C ATOM 1848 O THR A 113 5.934 -2.554 -17.124 1.00 0.00 O ATOM 1849 CB THR A 113 8.888 -3.010 -15.561 1.00 0.00 C ATOM 1850 OG1 THR A 113 10.043 -2.219 -15.231 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.254 -4.493 -15.485 1.00 0.00 C ATOM 0 H THR A 113 7.484 -0.844 -16.143 1.00 0.00 H new ATOM 0 HA THR A 113 9.067 -2.860 -17.722 1.00 0.00 H new ATOM 0 HB THR A 113 8.081 -2.850 -14.846 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.387 -2.492 -14.355 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.625 -4.726 -14.487 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.371 -5.097 -15.694 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.027 -4.715 -16.220 1.00 0.00 H new ATOM 1859 N GLY A 114 6.904 -4.495 -17.758 1.00 0.00 N ATOM 1860 CA GLY A 114 5.605 -5.182 -17.866 1.00 0.00 C ATOM 1861 C GLY A 114 5.679 -6.715 -17.809 1.00 0.00 C ATOM 1862 O GLY A 114 6.542 -7.334 -18.436 1.00 0.00 O ATOM 0 H GLY A 114 7.710 -5.044 -18.057 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.958 -4.834 -17.061 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.133 -4.890 -18.804 1.00 0.00 H new ATOM 1866 N PHE A 115 4.722 -7.315 -17.067 1.00 0.00 N ATOM 1867 CA PHE A 115 4.626 -8.774 -16.814 1.00 0.00 C ATOM 1868 C PHE A 115 3.409 -9.349 -17.576 1.00 0.00 C ATOM 1869 O PHE A 115 2.595 -8.580 -18.095 1.00 0.00 O ATOM 1870 CB PHE A 115 4.502 -9.023 -15.283 1.00 0.00 C ATOM 1871 CG PHE A 115 5.615 -8.363 -14.449 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.579 -6.994 -14.162 1.00 0.00 C ATOM 1873 CD2 PHE A 115 6.694 -9.101 -13.961 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.580 -6.393 -13.418 1.00 0.00 C ATOM 1875 CE2 PHE A 115 7.694 -8.499 -13.218 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.637 -7.146 -12.948 1.00 0.00 C ATOM 0 H PHE A 115 3.975 -6.787 -16.615 1.00 0.00 H new ATOM 0 HA PHE A 115 5.523 -9.279 -17.173 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.536 -8.650 -14.942 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.512 -10.097 -15.098 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.757 -6.396 -14.527 1.00 0.00 H new ATOM 0 HD2 PHE A 115 6.750 -10.160 -14.167 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.534 -5.335 -13.205 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.520 -9.088 -12.849 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.419 -6.677 -12.369 1.00 0.00 H new ATOM 1886 N SER A 116 3.261 -10.696 -17.617 1.00 0.00 N ATOM 1887 CA SER A 116 2.198 -11.363 -18.400 1.00 0.00 C ATOM 1888 C SER A 116 2.079 -12.861 -18.043 1.00 0.00 C ATOM 1889 O SER A 116 3.041 -13.487 -17.589 1.00 0.00 O ATOM 1890 CB SER A 116 2.427 -11.205 -19.915 1.00 0.00 C ATOM 1891 OG SER A 116 1.370 -11.805 -20.650 1.00 0.00 O ATOM 0 H SER A 116 3.869 -11.342 -17.114 1.00 0.00 H new ATOM 0 HA SER A 116 1.262 -10.870 -18.136 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.497 -10.147 -20.168 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.376 -11.663 -20.194 1.00 0.00 H new ATOM 0 HG SER A 116 1.743 -12.418 -21.317 1.00 0.00 H new ATOM 1897 N LYS A 117 0.858 -13.416 -18.215 1.00 0.00 N ATOM 1898 CA LYS A 117 0.597 -14.865 -18.081 1.00 0.00 C ATOM 1899 C LYS A 117 0.870 -15.596 -19.411 1.00 0.00 C ATOM 1900 O LYS A 117 0.964 -16.824 -19.449 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.861 -15.115 -17.615 1.00 0.00 C ATOM 1902 CG LYS A 117 -1.170 -14.637 -16.175 1.00 0.00 C ATOM 1903 CD LYS A 117 -0.520 -15.508 -15.060 1.00 0.00 C ATOM 1904 CE LYS A 117 -1.281 -16.820 -14.767 1.00 0.00 C ATOM 1905 NZ LYS A 117 -1.222 -17.810 -15.874 1.00 0.00 N ATOM 0 H LYS A 117 0.028 -12.872 -18.450 1.00 0.00 H new ATOM 0 HA LYS A 117 1.275 -15.264 -17.326 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.540 -14.612 -18.304 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.072 -16.182 -17.682 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.826 -13.609 -16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -2.250 -14.629 -16.031 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.502 -15.750 -15.351 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -0.460 -14.922 -14.143 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.870 -17.273 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -2.325 -16.584 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.257 -18.772 -15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.031 -17.667 -16.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.337 -17.685 -16.405 1.00 0.00 H new ATOM 1919 N THR A 118 1.009 -14.813 -20.485 1.00 0.00 N ATOM 1920 CA THR A 118 1.157 -15.301 -21.859 1.00 0.00 C ATOM 1921 C THR A 118 2.419 -14.692 -22.499 1.00 0.00 C ATOM 1922 O THR A 118 2.941 -13.689 -22.013 1.00 0.00 O ATOM 1923 CB THR A 118 -0.099 -14.901 -22.684 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.339 -13.500 -22.512 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.357 -15.680 -22.263 1.00 0.00 C ATOM 0 H THR A 118 1.022 -13.795 -20.421 1.00 0.00 H new ATOM 0 HA THR A 118 1.256 -16.386 -21.850 1.00 0.00 H new ATOM 0 HB THR A 118 0.102 -15.144 -23.728 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.689 -13.123 -23.346 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.203 -15.361 -22.871 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.189 -16.747 -22.407 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.571 -15.485 -21.212 1.00 0.00 H new ATOM 1933 N THR A 119 2.898 -15.307 -23.588 1.00 0.00 N ATOM 1934 CA THR A 119 4.126 -14.869 -24.279 1.00 0.00 C ATOM 1935 C THR A 119 3.918 -13.515 -25.007 1.00 0.00 C ATOM 1936 O THR A 119 2.802 -13.196 -25.442 1.00 0.00 O ATOM 1937 CB THR A 119 4.632 -15.967 -25.284 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.900 -15.582 -25.846 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.625 -16.240 -26.425 1.00 0.00 C ATOM 0 H THR A 119 2.451 -16.118 -24.016 1.00 0.00 H new ATOM 0 HA THR A 119 4.892 -14.723 -23.518 1.00 0.00 H new ATOM 0 HB THR A 119 4.740 -16.889 -24.713 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.206 -16.274 -26.469 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.026 -17.006 -27.089 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.681 -16.584 -26.003 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.457 -15.323 -26.989 1.00 0.00 H new ATOM 1947 N PHE A 120 4.999 -12.724 -25.096 1.00 0.00 N ATOM 1948 CA PHE A 120 5.025 -11.438 -25.819 1.00 0.00 C ATOM 1949 C PHE A 120 6.488 -11.057 -26.122 1.00 0.00 C ATOM 1950 O PHE A 120 7.327 -11.145 -25.205 1.00 0.00 O ATOM 1951 CB PHE A 120 4.281 -10.297 -25.046 1.00 0.00 C ATOM 1952 CG PHE A 120 4.836 -9.902 -23.664 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.036 -10.852 -22.662 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.130 -8.570 -23.361 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.521 -10.488 -21.420 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.609 -8.209 -22.118 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.801 -9.164 -21.148 1.00 0.00 C ATOM 1958 OXT PHE A 120 6.804 -10.676 -27.272 1.00 0.00 O ATOM 0 H PHE A 120 5.892 -12.961 -24.663 1.00 0.00 H new ATOM 0 HA PHE A 120 4.482 -11.562 -26.756 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.280 -9.408 -25.676 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.241 -10.598 -24.919 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.808 -11.889 -22.860 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.980 -7.809 -24.113 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.681 -11.240 -20.662 1.00 0.00 H new ATOM 0 HE2 PHE A 120 5.833 -7.174 -21.907 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.171 -8.879 -20.174 1.00 0.00 H new TER 1968 PHE A 120