USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 621 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 47 TYR OH : rot -148:sc= 2.05 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -167:sc= 0.622 (180deg=-1.25!) USER MOD Set 2.1: A 1 GLY N :NH3+ 171:sc= 1.07 (180deg=1) USER MOD Set 2.2: A 48 GLN : amide:sc= 0.97 K(o=2,f=0.1) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0124 (180deg=-0.219) USER MOD Single : A 7 MET CE :methyl 136:sc= -0.948 (180deg=-3.23!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 175:sc= -0.17 (180deg=-0.243) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0622 X(o=-0.062,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -167:sc= 1.11 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0293) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 1.23 K(o=1.2,f=-1.5!) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.021) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 152:sc= -0.667 (180deg=-3.41!) USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= 1.06 (180deg=0.0906) USER MOD Single : A 60 GLN : amide:sc= 0.891 K(o=0.89,f=-2.1!) USER MOD Single : A 64 MET CE :methyl 173:sc= 0 (180deg=-0.0409) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 138:sc= 1.21 (180deg=0.834) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.693 8.770 13.277 1.00 0.00 N ATOM 2 CA GLY A 1 -8.399 8.475 12.017 1.00 0.00 C ATOM 3 C GLY A 1 -7.412 8.058 10.928 1.00 0.00 C ATOM 4 O GLY A 1 -6.226 7.912 11.222 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.357 9.195 13.955 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.309 7.889 13.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.915 9.434 13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.126 7.679 12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.956 9.354 11.692 1.00 0.00 H new ATOM 10 N GLU A 2 -7.906 7.846 9.703 1.00 0.00 N ATOM 11 CA GLU A 2 -7.124 7.397 8.555 1.00 0.00 C ATOM 12 C GLU A 2 -5.795 8.155 8.447 1.00 0.00 C ATOM 13 O GLU A 2 -5.762 9.374 8.619 1.00 0.00 O ATOM 14 CB GLU A 2 -7.988 7.503 7.290 1.00 0.00 C ATOM 15 CG GLU A 2 -8.358 8.946 6.923 1.00 0.00 C ATOM 16 CD GLU A 2 -9.349 8.963 5.774 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.560 8.855 6.071 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.891 9.020 4.615 1.00 0.00 O ATOM 0 H GLU A 2 -8.891 7.988 9.481 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.846 6.351 8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.454 7.049 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.902 6.927 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.787 9.449 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.460 9.499 6.646 1.00 0.00 H new ATOM 25 N VAL A 3 -4.695 7.431 8.218 1.00 0.00 N ATOM 26 CA VAL A 3 -3.362 8.001 8.174 1.00 0.00 C ATOM 27 C VAL A 3 -2.636 7.533 6.922 1.00 0.00 C ATOM 28 O VAL A 3 -2.848 6.413 6.453 1.00 0.00 O ATOM 29 CB VAL A 3 -2.604 7.720 9.475 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.836 6.414 9.371 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.633 8.872 9.755 1.00 0.00 C ATOM 0 H VAL A 3 -4.714 6.424 8.058 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.427 9.087 8.104 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.320 7.636 10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.303 6.230 10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.532 5.597 9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.121 6.477 8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.092 8.675 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.924 8.959 8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.191 9.803 9.852 1.00 0.00 H new ATOM 41 N VAL A 4 -1.789 8.414 6.389 1.00 0.00 N ATOM 42 CA VAL A 4 -1.004 8.190 5.204 1.00 0.00 C ATOM 43 C VAL A 4 0.203 7.322 5.572 1.00 0.00 C ATOM 44 O VAL A 4 0.810 7.499 6.626 1.00 0.00 O ATOM 45 CB VAL A 4 -0.601 9.561 4.640 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.385 9.395 3.488 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.836 10.317 4.129 1.00 0.00 C ATOM 0 H VAL A 4 -1.635 9.336 6.797 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.562 7.658 4.434 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.132 10.129 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.660 10.376 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.278 8.882 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.078 8.808 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.532 11.286 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.317 9.738 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.538 10.465 4.950 1.00 0.00 H new ATOM 57 N LEU A 5 0.543 6.391 4.684 1.00 0.00 N ATOM 58 CA LEU A 5 1.648 5.455 4.786 1.00 0.00 C ATOM 59 C LEU A 5 2.362 5.483 3.449 1.00 0.00 C ATOM 60 O LEU A 5 1.694 5.547 2.419 1.00 0.00 O ATOM 61 CB LEU A 5 1.054 4.069 5.048 1.00 0.00 C ATOM 62 CG LEU A 5 1.946 2.824 4.848 1.00 0.00 C ATOM 63 CD1 LEU A 5 2.020 2.396 3.378 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.352 2.880 5.462 1.00 0.00 C ATOM 0 H LEU A 5 0.016 6.266 3.819 1.00 0.00 H new ATOM 0 HA LEU A 5 2.344 5.704 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.694 4.054 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.182 3.957 4.403 1.00 0.00 H new ATOM 0 HG LEU A 5 1.424 2.063 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.658 1.517 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.019 2.157 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.435 3.209 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.878 1.948 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.905 3.714 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.273 3.018 6.540 1.00 0.00 H new ATOM 76 N LYS A 6 3.694 5.397 3.459 1.00 0.00 N ATOM 77 CA LYS A 6 4.512 5.279 2.265 1.00 0.00 C ATOM 78 C LYS A 6 5.128 3.869 2.213 1.00 0.00 C ATOM 79 O LYS A 6 5.758 3.454 3.185 1.00 0.00 O ATOM 80 CB LYS A 6 5.556 6.403 2.293 1.00 0.00 C ATOM 81 CG LYS A 6 6.198 6.580 0.913 1.00 0.00 C ATOM 82 CD LYS A 6 6.084 8.003 0.347 1.00 0.00 C ATOM 83 CE LYS A 6 7.164 8.954 0.880 1.00 0.00 C ATOM 84 NZ LYS A 6 6.969 9.294 2.301 1.00 0.00 N ATOM 0 H LYS A 6 4.240 5.408 4.321 1.00 0.00 H new ATOM 0 HA LYS A 6 3.927 5.394 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.085 7.336 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.325 6.174 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.252 6.309 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.732 5.884 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.150 7.961 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.101 8.406 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.144 8.494 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.162 9.869 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.605 10.075 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.983 9.585 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.182 8.463 2.889 1.00 0.00 H new ATOM 98 N MET A 7 4.913 3.118 1.123 1.00 0.00 N ATOM 99 CA MET A 7 5.445 1.773 0.914 1.00 0.00 C ATOM 100 C MET A 7 6.366 1.751 -0.300 1.00 0.00 C ATOM 101 O MET A 7 6.185 2.548 -1.217 1.00 0.00 O ATOM 102 CB MET A 7 4.309 0.751 0.745 1.00 0.00 C ATOM 103 CG MET A 7 3.535 0.864 -0.577 1.00 0.00 C ATOM 104 SD MET A 7 2.418 -0.503 -1.018 1.00 0.00 S ATOM 105 CE MET A 7 3.542 -1.855 -1.435 1.00 0.00 C ATOM 0 H MET A 7 4.346 3.445 0.341 1.00 0.00 H new ATOM 0 HA MET A 7 6.021 1.494 1.796 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.727 -0.253 0.821 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.608 0.867 1.572 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.947 1.781 -0.545 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.260 0.978 -1.382 1.00 0.00 H new ATOM 0 HE1 MET A 7 3.184 -2.779 -0.981 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.582 -1.974 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.539 -1.628 -1.058 1.00 0.00 H new ATOM 115 N LYS A 8 7.295 0.798 -0.324 1.00 0.00 N ATOM 116 CA LYS A 8 8.152 0.518 -1.464 1.00 0.00 C ATOM 117 C LYS A 8 7.497 -0.596 -2.281 1.00 0.00 C ATOM 118 O LYS A 8 7.049 -1.588 -1.701 1.00 0.00 O ATOM 119 CB LYS A 8 9.547 0.103 -0.967 1.00 0.00 C ATOM 120 CG LYS A 8 10.650 1.068 -1.420 1.00 0.00 C ATOM 121 CD LYS A 8 10.717 1.168 -2.953 1.00 0.00 C ATOM 122 CE LYS A 8 12.139 1.339 -3.501 1.00 0.00 C ATOM 123 NZ LYS A 8 12.755 2.621 -3.124 1.00 0.00 N ATOM 0 H LYS A 8 7.474 0.186 0.472 1.00 0.00 H new ATOM 0 HA LYS A 8 8.274 1.401 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.540 0.052 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.775 -0.899 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.466 2.056 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.612 0.730 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.277 0.270 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.108 2.011 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.763 0.523 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.114 1.261 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.713 2.676 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.180 3.405 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.808 2.689 -2.088 1.00 0.00 H new ATOM 137 N VAL A 9 7.430 -0.423 -3.606 1.00 0.00 N ATOM 138 CA VAL A 9 6.775 -1.348 -4.521 1.00 0.00 C ATOM 139 C VAL A 9 7.816 -1.911 -5.490 1.00 0.00 C ATOM 140 O VAL A 9 7.757 -1.665 -6.694 1.00 0.00 O ATOM 141 CB VAL A 9 5.616 -0.642 -5.253 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.650 -1.699 -5.797 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.856 0.325 -4.343 1.00 0.00 C ATOM 0 H VAL A 9 7.841 0.384 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 9 6.340 -2.181 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 9 6.044 -0.055 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.827 -1.207 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.179 -2.352 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.256 -2.291 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.050 0.797 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.437 -0.223 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.539 1.091 -3.975 1.00 0.00 H new ATOM 153 N GLU A 10 8.784 -2.659 -4.961 1.00 0.00 N ATOM 154 CA GLU A 10 9.857 -3.191 -5.786 1.00 0.00 C ATOM 155 C GLU A 10 9.335 -4.250 -6.763 1.00 0.00 C ATOM 156 O GLU A 10 8.206 -4.736 -6.658 1.00 0.00 O ATOM 157 CB GLU A 10 10.996 -3.722 -4.909 1.00 0.00 C ATOM 158 CG GLU A 10 11.599 -2.637 -4.005 1.00 0.00 C ATOM 159 CD GLU A 10 12.473 -1.624 -4.739 1.00 0.00 C ATOM 160 OE1 GLU A 10 11.924 -0.895 -5.592 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.662 -1.532 -4.377 1.00 0.00 O ATOM 0 H GLU A 10 8.844 -2.906 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 10 10.262 -2.380 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.623 -4.539 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.778 -4.135 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.789 -2.106 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.194 -3.117 -3.228 1.00 0.00 H new ATOM 168 N GLY A 11 10.160 -4.598 -7.753 1.00 0.00 N ATOM 169 CA GLY A 11 9.864 -5.655 -8.708 1.00 0.00 C ATOM 170 C GLY A 11 8.879 -5.221 -9.796 1.00 0.00 C ATOM 171 O GLY A 11 9.103 -5.510 -10.970 1.00 0.00 O ATOM 0 H GLY A 11 11.061 -4.146 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.792 -5.984 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.454 -6.513 -8.176 1.00 0.00 H new ATOM 175 N MET A 12 7.777 -4.559 -9.426 1.00 0.00 N ATOM 176 CA MET A 12 6.799 -4.071 -10.388 1.00 0.00 C ATOM 177 C MET A 12 7.471 -3.104 -11.364 1.00 0.00 C ATOM 178 O MET A 12 7.848 -2.000 -10.981 1.00 0.00 O ATOM 179 CB MET A 12 5.623 -3.390 -9.680 1.00 0.00 C ATOM 180 CG MET A 12 4.833 -4.373 -8.816 1.00 0.00 C ATOM 181 SD MET A 12 3.294 -3.697 -8.157 1.00 0.00 S ATOM 182 CE MET A 12 2.823 -5.059 -7.078 1.00 0.00 C ATOM 0 H MET A 12 7.544 -4.350 -8.455 1.00 0.00 H new ATOM 0 HA MET A 12 6.405 -4.922 -10.944 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.996 -2.577 -9.057 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.960 -2.945 -10.422 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.605 -5.259 -9.408 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.461 -4.697 -7.986 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.933 -4.784 -6.513 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.612 -5.943 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.639 -5.275 -6.388 1.00 0.00 H new ATOM 192 N THR A 13 7.612 -3.524 -12.622 1.00 0.00 N ATOM 193 CA THR A 13 8.168 -2.721 -13.698 1.00 0.00 C ATOM 194 C THR A 13 7.078 -2.465 -14.739 1.00 0.00 C ATOM 195 O THR A 13 6.210 -3.312 -14.948 1.00 0.00 O ATOM 196 CB THR A 13 9.432 -3.385 -14.263 1.00 0.00 C ATOM 197 OG1 THR A 13 10.019 -2.576 -15.262 1.00 0.00 O ATOM 198 CG2 THR A 13 9.155 -4.776 -14.825 1.00 0.00 C ATOM 0 H THR A 13 7.333 -4.458 -12.923 1.00 0.00 H new ATOM 0 HA THR A 13 8.492 -1.747 -13.331 1.00 0.00 H new ATOM 0 HB THR A 13 10.126 -3.495 -13.430 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.824 -3.016 -15.608 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.080 -5.203 -15.212 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.763 -5.416 -14.035 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.424 -4.704 -15.630 1.00 0.00 H new ATOM 206 N CYS A 14 7.148 -1.295 -15.384 1.00 0.00 N ATOM 207 CA CYS A 14 6.196 -0.793 -16.373 1.00 0.00 C ATOM 208 C CYS A 14 4.790 -0.585 -15.802 1.00 0.00 C ATOM 209 O CYS A 14 4.429 -1.110 -14.748 1.00 0.00 O ATOM 210 CB CYS A 14 6.179 -1.661 -17.641 1.00 0.00 C ATOM 211 SG CYS A 14 7.542 -1.171 -18.723 1.00 0.00 S ATOM 0 H CYS A 14 7.912 -0.640 -15.219 1.00 0.00 H new ATOM 0 HA CYS A 14 6.552 0.196 -16.660 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.272 -2.714 -17.375 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.228 -1.546 -18.161 1.00 0.00 H new ATOM 0 HG CYS A 14 7.531 -1.906 -19.795 1.00 0.00 H new ATOM 217 N HIS A 15 3.971 0.198 -16.514 1.00 0.00 N ATOM 218 CA HIS A 15 2.561 0.385 -16.189 1.00 0.00 C ATOM 219 C HIS A 15 1.774 -0.864 -16.598 1.00 0.00 C ATOM 220 O HIS A 15 0.976 -0.850 -17.532 1.00 0.00 O ATOM 221 CB HIS A 15 2.030 1.692 -16.803 1.00 0.00 C ATOM 222 CG HIS A 15 2.051 2.832 -15.815 1.00 0.00 C ATOM 223 ND1 HIS A 15 2.905 3.914 -15.808 1.00 0.00 N ATOM 224 CD2 HIS A 15 1.244 2.934 -14.714 1.00 0.00 C ATOM 225 CE1 HIS A 15 2.611 4.649 -14.720 1.00 0.00 C ATOM 226 NE2 HIS A 15 1.610 4.089 -14.020 1.00 0.00 N ATOM 0 H HIS A 15 4.274 0.721 -17.336 1.00 0.00 H new ATOM 0 HA HIS A 15 2.431 0.499 -15.113 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.633 1.955 -17.672 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.011 1.538 -17.157 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.463 2.244 -14.432 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.112 5.566 -14.446 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.199 4.438 -13.154 1.00 0.00 H new ATOM 234 N SER A 16 2.031 -1.942 -15.862 1.00 0.00 N ATOM 235 CA SER A 16 1.425 -3.252 -16.013 1.00 0.00 C ATOM 236 C SER A 16 0.654 -3.596 -14.739 1.00 0.00 C ATOM 237 O SER A 16 -0.523 -3.949 -14.779 1.00 0.00 O ATOM 238 CB SER A 16 2.547 -4.269 -16.246 1.00 0.00 C ATOM 239 OG SER A 16 3.096 -4.086 -17.536 1.00 0.00 O ATOM 0 H SER A 16 2.709 -1.918 -15.100 1.00 0.00 H new ATOM 0 HA SER A 16 0.733 -3.267 -16.855 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.323 -4.149 -15.490 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.159 -5.283 -16.146 1.00 0.00 H new ATOM 0 HG SER A 16 3.814 -4.737 -17.681 1.00 0.00 H new ATOM 245 N CYS A 17 1.355 -3.525 -13.605 1.00 0.00 N ATOM 246 CA CYS A 17 0.816 -3.889 -12.306 1.00 0.00 C ATOM 247 C CYS A 17 0.150 -2.660 -11.692 1.00 0.00 C ATOM 248 O CYS A 17 -0.958 -2.326 -12.105 1.00 0.00 O ATOM 249 CB CYS A 17 1.933 -4.496 -11.447 1.00 0.00 C ATOM 250 SG CYS A 17 2.170 -6.226 -11.913 1.00 0.00 S ATOM 0 H CYS A 17 2.324 -3.208 -13.570 1.00 0.00 H new ATOM 0 HA CYS A 17 0.046 -4.656 -12.385 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.859 -3.939 -11.588 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.675 -4.424 -10.390 1.00 0.00 H new ATOM 0 HG CYS A 17 2.914 -6.817 -11.025 1.00 0.00 H new ATOM 256 N THR A 18 0.813 -2.018 -10.720 1.00 0.00 N ATOM 257 CA THR A 18 0.401 -0.819 -9.994 1.00 0.00 C ATOM 258 C THR A 18 -1.104 -0.584 -9.998 1.00 0.00 C ATOM 259 O THR A 18 -1.769 -1.078 -9.102 1.00 0.00 O ATOM 260 CB THR A 18 1.188 0.409 -10.467 1.00 0.00 C ATOM 261 OG1 THR A 18 0.959 0.662 -11.842 1.00 0.00 O ATOM 262 CG2 THR A 18 2.684 0.186 -10.234 1.00 0.00 C ATOM 0 H THR A 18 1.721 -2.354 -10.400 1.00 0.00 H new ATOM 0 HA THR A 18 0.651 -0.993 -8.947 1.00 0.00 H new ATOM 0 HB THR A 18 0.848 1.272 -9.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.470 1.451 -12.119 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.239 1.061 -10.572 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.867 0.028 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.013 -0.690 -10.793 1.00 0.00 H new ATOM 270 N SER A 19 -1.646 0.129 -10.984 1.00 0.00 N ATOM 271 CA SER A 19 -3.068 0.452 -11.076 1.00 0.00 C ATOM 272 C SER A 19 -3.989 -0.730 -10.785 1.00 0.00 C ATOM 273 O SER A 19 -4.967 -0.599 -10.045 1.00 0.00 O ATOM 274 CB SER A 19 -3.354 1.145 -12.412 1.00 0.00 C ATOM 275 OG SER A 19 -4.710 1.531 -12.513 1.00 0.00 O ATOM 0 H SER A 19 -1.097 0.506 -11.757 1.00 0.00 H new ATOM 0 HA SER A 19 -3.305 1.154 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.716 2.023 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.103 0.473 -13.233 1.00 0.00 H new ATOM 0 HG SER A 19 -4.861 1.972 -13.375 1.00 0.00 H new ATOM 281 N THR A 20 -3.626 -1.904 -11.293 1.00 0.00 N ATOM 282 CA THR A 20 -4.261 -3.148 -10.913 1.00 0.00 C ATOM 283 C THR A 20 -4.334 -3.286 -9.387 1.00 0.00 C ATOM 284 O THR A 20 -5.413 -3.439 -8.809 1.00 0.00 O ATOM 285 CB THR A 20 -3.456 -4.286 -11.548 1.00 0.00 C ATOM 286 OG1 THR A 20 -3.596 -4.242 -12.953 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.947 -5.622 -11.013 1.00 0.00 C ATOM 0 H THR A 20 -2.881 -2.013 -11.981 1.00 0.00 H new ATOM 0 HA THR A 20 -5.291 -3.178 -11.270 1.00 0.00 H new ATOM 0 HB THR A 20 -2.402 -4.170 -11.294 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.079 -4.970 -13.356 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.372 -6.429 -11.467 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.819 -5.650 -9.931 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.002 -5.746 -11.257 1.00 0.00 H new ATOM 295 N ILE A 21 -3.170 -3.258 -8.733 1.00 0.00 N ATOM 296 CA ILE A 21 -3.063 -3.292 -7.293 1.00 0.00 C ATOM 297 C ILE A 21 -3.851 -2.139 -6.682 1.00 0.00 C ATOM 298 O ILE A 21 -4.592 -2.390 -5.746 1.00 0.00 O ATOM 299 CB ILE A 21 -1.579 -3.330 -6.884 1.00 0.00 C ATOM 300 CG1 ILE A 21 -1.027 -4.751 -7.073 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.319 -2.884 -5.446 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.429 -4.951 -8.463 1.00 0.00 C ATOM 0 H ILE A 21 -2.268 -3.210 -9.207 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.512 -4.202 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.070 -2.617 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.265 -4.947 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.826 -5.475 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.251 -2.939 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.662 -1.858 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.858 -3.537 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.051 -5.969 -8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.197 -4.781 -9.217 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.388 -4.246 -8.612 1.00 0.00 H new ATOM 314 N GLU A 22 -3.736 -0.906 -7.176 1.00 0.00 N ATOM 315 CA GLU A 22 -4.440 0.235 -6.604 1.00 0.00 C ATOM 316 C GLU A 22 -5.940 -0.066 -6.502 1.00 0.00 C ATOM 317 O GLU A 22 -6.513 -0.191 -5.420 1.00 0.00 O ATOM 318 CB GLU A 22 -4.170 1.501 -7.432 1.00 0.00 C ATOM 319 CG GLU A 22 -2.676 1.817 -7.532 1.00 0.00 C ATOM 320 CD GLU A 22 -2.440 3.165 -8.187 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.445 4.158 -7.429 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.235 3.175 -9.417 1.00 0.00 O ATOM 0 H GLU A 22 -3.154 -0.674 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.067 0.416 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.581 1.373 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.689 2.346 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.234 1.812 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.175 1.038 -8.107 1.00 0.00 H new ATOM 329 N GLY A 23 -6.554 -0.222 -7.668 1.00 0.00 N ATOM 330 CA GLY A 23 -7.946 -0.601 -7.844 1.00 0.00 C ATOM 331 C GLY A 23 -8.344 -1.764 -6.932 1.00 0.00 C ATOM 332 O GLY A 23 -9.299 -1.644 -6.167 1.00 0.00 O ATOM 0 H GLY A 23 -6.071 -0.081 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.584 0.258 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.117 -0.881 -8.884 1.00 0.00 H new ATOM 336 N LYS A 24 -7.618 -2.888 -7.000 1.00 0.00 N ATOM 337 CA LYS A 24 -7.909 -4.046 -6.161 1.00 0.00 C ATOM 338 C LYS A 24 -7.881 -3.657 -4.680 1.00 0.00 C ATOM 339 O LYS A 24 -8.811 -3.949 -3.933 1.00 0.00 O ATOM 340 CB LYS A 24 -6.901 -5.169 -6.453 1.00 0.00 C ATOM 341 CG LYS A 24 -7.162 -6.427 -5.604 1.00 0.00 C ATOM 342 CD LYS A 24 -6.020 -7.441 -5.770 1.00 0.00 C ATOM 343 CE LYS A 24 -5.690 -8.171 -4.457 1.00 0.00 C ATOM 344 NZ LYS A 24 -6.766 -9.080 -4.009 1.00 0.00 N ATOM 0 H LYS A 24 -6.825 -3.015 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.910 -4.409 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.949 -5.431 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.891 -4.807 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.259 -6.150 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.106 -6.883 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.294 -8.172 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.129 -6.926 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.771 -8.743 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.498 -7.434 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.484 -9.541 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.638 -8.536 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.934 -9.804 -4.736 1.00 0.00 H new ATOM 358 N ILE A 25 -6.791 -3.040 -4.234 1.00 0.00 N ATOM 359 CA ILE A 25 -6.563 -2.676 -2.856 1.00 0.00 C ATOM 360 C ILE A 25 -7.631 -1.694 -2.379 1.00 0.00 C ATOM 361 O ILE A 25 -8.001 -1.719 -1.208 1.00 0.00 O ATOM 362 CB ILE A 25 -5.120 -2.168 -2.709 1.00 0.00 C ATOM 363 CG1 ILE A 25 -4.056 -3.257 -2.901 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.896 -1.363 -1.434 1.00 0.00 C ATOM 365 CD1 ILE A 25 -4.096 -4.319 -1.821 1.00 0.00 C ATOM 0 H ILE A 25 -6.022 -2.775 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.661 -3.541 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.987 -1.476 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.198 -3.729 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.069 -2.795 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.858 -1.033 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.553 -0.494 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.116 -1.986 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.320 -5.061 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.925 -3.856 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.072 -4.805 -1.825 1.00 0.00 H new ATOM 377 N GLY A 26 -8.196 -0.892 -3.282 1.00 0.00 N ATOM 378 CA GLY A 26 -9.370 -0.077 -3.014 1.00 0.00 C ATOM 379 C GLY A 26 -10.555 -0.853 -2.417 1.00 0.00 C ATOM 380 O GLY A 26 -11.429 -0.233 -1.816 1.00 0.00 O ATOM 0 H GLY A 26 -7.842 -0.792 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.093 0.724 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.690 0.395 -3.943 1.00 0.00 H new ATOM 384 N LYS A 27 -10.626 -2.185 -2.567 1.00 0.00 N ATOM 385 CA LYS A 27 -11.678 -2.988 -1.969 1.00 0.00 C ATOM 386 C LYS A 27 -11.303 -3.427 -0.549 1.00 0.00 C ATOM 387 O LYS A 27 -12.164 -3.924 0.173 1.00 0.00 O ATOM 388 CB LYS A 27 -11.962 -4.192 -2.869 1.00 0.00 C ATOM 389 CG LYS A 27 -12.969 -3.843 -3.971 1.00 0.00 C ATOM 390 CD LYS A 27 -14.419 -3.988 -3.473 1.00 0.00 C ATOM 391 CE LYS A 27 -15.459 -3.879 -4.601 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.422 -5.033 -5.527 1.00 0.00 N ATOM 0 H LYS A 27 -9.951 -2.725 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.583 -2.387 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.032 -4.538 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.349 -5.014 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.800 -2.821 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.811 -4.495 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.531 -4.951 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.619 -3.219 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.455 -3.800 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.284 -2.962 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.217 -4.968 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.526 -5.026 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.498 -5.917 -4.984 1.00 0.00 H new ATOM 406 N LEU A 28 -10.031 -3.317 -0.149 1.00 0.00 N ATOM 407 CA LEU A 28 -9.570 -3.886 1.093 1.00 0.00 C ATOM 408 C LEU A 28 -10.164 -3.166 2.296 1.00 0.00 C ATOM 409 O LEU A 28 -10.163 -1.938 2.394 1.00 0.00 O ATOM 410 CB LEU A 28 -8.051 -3.814 1.205 1.00 0.00 C ATOM 411 CG LEU A 28 -7.212 -4.675 0.254 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.474 -5.711 1.083 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.995 -5.436 -0.815 1.00 0.00 C ATOM 0 H LEU A 28 -9.309 -2.833 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.896 -4.926 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.756 -2.775 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.779 -4.084 2.225 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.564 -3.976 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.869 -6.337 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.828 -5.208 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.195 -6.332 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.304 -6.012 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.703 -6.112 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.537 -4.728 -1.442 1.00 0.00 H new ATOM 425 N GLN A 29 -10.589 -3.973 3.260 1.00 0.00 N ATOM 426 CA GLN A 29 -11.075 -3.506 4.541 1.00 0.00 C ATOM 427 C GLN A 29 -10.005 -2.664 5.248 1.00 0.00 C ATOM 428 O GLN A 29 -8.968 -3.183 5.654 1.00 0.00 O ATOM 429 CB GLN A 29 -11.594 -4.693 5.359 1.00 0.00 C ATOM 430 CG GLN A 29 -10.483 -5.680 5.719 1.00 0.00 C ATOM 431 CD GLN A 29 -10.976 -7.122 5.680 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.697 -7.566 6.566 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.616 -7.862 4.634 1.00 0.00 N ATOM 0 H GLN A 29 -10.604 -4.989 3.166 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.924 -2.836 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.060 -4.325 6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.368 -5.211 4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.651 -5.561 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.102 -5.452 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.015 -7.466 3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.941 -8.825 4.555 1.00 0.00 H new ATOM 442 N GLY A 30 -10.250 -1.358 5.375 1.00 0.00 N ATOM 443 CA GLY A 30 -9.396 -0.440 6.114 1.00 0.00 C ATOM 444 C GLY A 30 -8.747 0.605 5.223 1.00 0.00 C ATOM 445 O GLY A 30 -8.341 1.652 5.723 1.00 0.00 O ATOM 0 H GLY A 30 -11.063 -0.906 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.986 0.060 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.619 -1.007 6.627 1.00 0.00 H new ATOM 449 N VAL A 31 -8.631 0.337 3.921 1.00 0.00 N ATOM 450 CA VAL A 31 -8.029 1.275 3.001 1.00 0.00 C ATOM 451 C VAL A 31 -9.059 2.342 2.636 1.00 0.00 C ATOM 452 O VAL A 31 -10.196 2.022 2.298 1.00 0.00 O ATOM 453 CB VAL A 31 -7.510 0.485 1.790 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.421 1.338 0.525 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.132 -0.098 2.123 1.00 0.00 C ATOM 0 H VAL A 31 -8.951 -0.529 3.488 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.180 1.799 3.441 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.224 -0.313 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.049 0.729 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.410 1.722 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.741 2.172 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.758 -0.660 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.441 0.712 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.216 -0.761 2.984 1.00 0.00 H new ATOM 465 N GLN A 32 -8.638 3.606 2.697 1.00 0.00 N ATOM 466 CA GLN A 32 -9.400 4.754 2.234 1.00 0.00 C ATOM 467 C GLN A 32 -8.947 5.141 0.826 1.00 0.00 C ATOM 468 O GLN A 32 -9.785 5.355 -0.047 1.00 0.00 O ATOM 469 CB GLN A 32 -9.294 5.901 3.242 1.00 0.00 C ATOM 470 CG GLN A 32 -10.535 5.998 4.141 1.00 0.00 C ATOM 471 CD GLN A 32 -11.667 6.776 3.471 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.225 6.335 2.472 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.027 7.936 4.007 1.00 0.00 N ATOM 0 H GLN A 32 -7.729 3.861 3.083 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.458 4.501 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.409 5.758 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.160 6.841 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.882 4.995 4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.266 6.484 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.549 8.284 4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.782 8.479 3.588 1.00 0.00 H new ATOM 482 N ARG A 33 -7.634 5.239 0.572 1.00 0.00 N ATOM 483 CA ARG A 33 -7.151 5.610 -0.752 1.00 0.00 C ATOM 484 C ARG A 33 -5.750 5.054 -0.988 1.00 0.00 C ATOM 485 O ARG A 33 -5.071 4.657 -0.039 1.00 0.00 O ATOM 486 CB ARG A 33 -7.206 7.143 -0.904 1.00 0.00 C ATOM 487 CG ARG A 33 -7.799 7.579 -2.249 1.00 0.00 C ATOM 488 CD ARG A 33 -8.225 9.050 -2.170 1.00 0.00 C ATOM 489 NE ARG A 33 -8.911 9.474 -3.401 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.723 10.541 -3.500 1.00 0.00 C ATOM 491 NH1 ARG A 33 -9.871 11.368 -2.459 1.00 0.00 N ATOM 492 NH2 ARG A 33 -10.383 10.775 -4.640 1.00 0.00 N ATOM 0 H ARG A 33 -6.901 5.068 1.261 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.794 5.172 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.802 7.564 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.200 7.551 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.064 7.445 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.656 6.954 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.885 9.194 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.348 9.677 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.759 8.917 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.368 11.189 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.487 12.177 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.270 10.144 -5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.999 11.584 -4.716 1.00 0.00 H new ATOM 506 N ILE A 34 -5.333 5.031 -2.257 1.00 0.00 N ATOM 507 CA ILE A 34 -4.061 4.498 -2.713 1.00 0.00 C ATOM 508 C ILE A 34 -3.570 5.324 -3.903 1.00 0.00 C ATOM 509 O ILE A 34 -4.376 5.703 -4.751 1.00 0.00 O ATOM 510 CB ILE A 34 -4.207 2.998 -3.039 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.877 2.433 -3.556 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.332 2.703 -4.052 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.711 0.949 -3.208 1.00 0.00 C ATOM 0 H ILE A 34 -5.901 5.400 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.307 4.574 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.483 2.505 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.825 2.560 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.051 3.001 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.382 1.630 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.285 3.046 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.126 3.224 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.756 0.590 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.736 0.824 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.522 0.377 -3.658 1.00 0.00 H new ATOM 525 N LYS A 35 -2.274 5.652 -3.916 1.00 0.00 N ATOM 526 CA LYS A 35 -1.550 6.225 -5.044 1.00 0.00 C ATOM 527 C LYS A 35 -0.231 5.456 -5.187 1.00 0.00 C ATOM 528 O LYS A 35 0.675 5.677 -4.384 1.00 0.00 O ATOM 529 CB LYS A 35 -1.238 7.712 -4.794 1.00 0.00 C ATOM 530 CG LYS A 35 -2.406 8.687 -4.992 1.00 0.00 C ATOM 531 CD LYS A 35 -3.351 8.775 -3.782 1.00 0.00 C ATOM 532 CE LYS A 35 -4.089 10.122 -3.738 1.00 0.00 C ATOM 533 NZ LYS A 35 -3.218 11.224 -3.277 1.00 0.00 N ATOM 0 H LYS A 35 -1.678 5.517 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.156 6.149 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.870 7.819 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.426 8.009 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.007 9.679 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.979 8.381 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.077 7.963 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.780 8.642 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.473 10.356 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.950 10.041 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.786 12.086 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.778 10.963 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.476 11.400 -3.985 1.00 0.00 H new ATOM 547 N VAL A 36 -0.101 4.566 -6.174 1.00 0.00 N ATOM 548 CA VAL A 36 1.133 3.843 -6.476 1.00 0.00 C ATOM 549 C VAL A 36 1.838 4.488 -7.669 1.00 0.00 C ATOM 550 O VAL A 36 1.240 4.628 -8.732 1.00 0.00 O ATOM 551 CB VAL A 36 0.847 2.353 -6.752 1.00 0.00 C ATOM 552 CG1 VAL A 36 2.127 1.626 -7.183 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.278 1.623 -5.529 1.00 0.00 C ATOM 0 H VAL A 36 -0.870 4.324 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 36 1.789 3.900 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 36 0.103 2.334 -7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.903 0.576 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.517 2.084 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.872 1.701 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.096 0.578 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.992 1.679 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.659 2.092 -5.228 1.00 0.00 H new ATOM 563 N SER A 37 3.122 4.835 -7.520 1.00 0.00 N ATOM 564 CA SER A 37 3.915 5.453 -8.548 1.00 0.00 C ATOM 565 C SER A 37 5.036 4.496 -8.967 1.00 0.00 C ATOM 566 O SER A 37 6.114 4.524 -8.371 1.00 0.00 O ATOM 567 CB SER A 37 4.460 6.738 -7.932 1.00 0.00 C ATOM 568 OG SER A 37 3.536 7.796 -8.088 1.00 0.00 O ATOM 0 H SER A 37 3.636 4.683 -6.652 1.00 0.00 H new ATOM 0 HA SER A 37 3.343 5.679 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.666 6.581 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.406 7.002 -8.405 1.00 0.00 H new ATOM 0 HG SER A 37 3.901 8.611 -7.686 1.00 0.00 H new ATOM 574 N LEU A 38 4.806 3.692 -10.018 1.00 0.00 N ATOM 575 CA LEU A 38 5.825 2.887 -10.679 1.00 0.00 C ATOM 576 C LEU A 38 7.097 3.720 -10.859 1.00 0.00 C ATOM 577 O LEU A 38 8.173 3.294 -10.450 1.00 0.00 O ATOM 578 CB LEU A 38 5.212 2.355 -11.988 1.00 0.00 C ATOM 579 CG LEU A 38 6.125 1.896 -13.123 1.00 0.00 C ATOM 580 CD1 LEU A 38 6.782 3.029 -13.915 1.00 0.00 C ATOM 581 CD2 LEU A 38 7.147 0.841 -12.694 1.00 0.00 C ATOM 0 H LEU A 38 3.881 3.587 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 38 6.131 2.024 -10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.569 1.514 -11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.567 3.138 -12.386 1.00 0.00 H new ATOM 0 HG LEU A 38 5.439 1.413 -13.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.411 2.608 -14.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.010 3.653 -14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.393 3.634 -13.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.762 0.561 -13.549 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.783 1.249 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.625 -0.039 -12.318 1.00 0.00 H new ATOM 593 N ASP A 39 6.957 4.933 -11.401 1.00 0.00 N ATOM 594 CA ASP A 39 8.026 5.900 -11.606 1.00 0.00 C ATOM 595 C ASP A 39 8.918 6.010 -10.380 1.00 0.00 C ATOM 596 O ASP A 39 10.130 5.819 -10.449 1.00 0.00 O ATOM 597 CB ASP A 39 7.416 7.285 -11.863 1.00 0.00 C ATOM 598 CG ASP A 39 6.406 7.274 -13.004 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.420 6.512 -12.863 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.640 8.005 -13.987 1.00 0.00 O ATOM 0 H ASP A 39 6.052 5.278 -11.722 1.00 0.00 H new ATOM 0 HA ASP A 39 8.619 5.562 -12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.929 7.639 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.213 7.992 -12.094 1.00 0.00 H new ATOM 605 N ASN A 40 8.294 6.373 -9.257 1.00 0.00 N ATOM 606 CA ASN A 40 9.018 6.674 -8.038 1.00 0.00 C ATOM 607 C ASN A 40 9.435 5.382 -7.327 1.00 0.00 C ATOM 608 O ASN A 40 10.233 5.414 -6.395 1.00 0.00 O ATOM 609 CB ASN A 40 8.200 7.583 -7.101 1.00 0.00 C ATOM 610 CG ASN A 40 8.995 8.813 -6.666 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.129 8.709 -6.212 1.00 0.00 O ATOM 612 ND2 ASN A 40 8.414 10.003 -6.810 1.00 0.00 N ATOM 0 H ASN A 40 7.281 6.464 -9.175 1.00 0.00 H new ATOM 0 HA ASN A 40 9.920 7.222 -8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.288 7.900 -7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.895 7.017 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.914 10.850 -6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.470 10.067 -7.190 1.00 0.00 H new ATOM 619 N GLN A 41 8.840 4.246 -7.728 1.00 0.00 N ATOM 620 CA GLN A 41 9.016 2.908 -7.157 1.00 0.00 C ATOM 621 C GLN A 41 8.384 2.795 -5.768 1.00 0.00 C ATOM 622 O GLN A 41 8.480 1.766 -5.100 1.00 0.00 O ATOM 623 CB GLN A 41 10.492 2.493 -7.168 1.00 0.00 C ATOM 624 CG GLN A 41 11.135 2.931 -8.480 1.00 0.00 C ATOM 625 CD GLN A 41 12.489 2.273 -8.712 1.00 0.00 C ATOM 626 OE1 GLN A 41 13.443 2.533 -7.984 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.591 1.428 -9.732 1.00 0.00 N ATOM 0 H GLN A 41 8.183 4.242 -8.508 1.00 0.00 H new ATOM 0 HA GLN A 41 8.482 2.201 -7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.014 2.947 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.578 1.413 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.469 2.686 -9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.256 4.014 -8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.778 1.234 -10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.482 0.973 -9.930 1.00 0.00 H new ATOM 636 N GLU A 42 7.731 3.876 -5.347 1.00 0.00 N ATOM 637 CA GLU A 42 7.119 4.063 -4.047 1.00 0.00 C ATOM 638 C GLU A 42 5.616 4.290 -4.241 1.00 0.00 C ATOM 639 O GLU A 42 5.167 4.683 -5.322 1.00 0.00 O ATOM 640 CB GLU A 42 7.823 5.231 -3.325 1.00 0.00 C ATOM 641 CG GLU A 42 8.021 4.924 -1.832 1.00 0.00 C ATOM 642 CD GLU A 42 8.814 5.980 -1.073 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.601 7.176 -1.361 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.555 5.578 -0.146 1.00 0.00 O ATOM 0 H GLU A 42 7.612 4.692 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 42 7.235 3.182 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.790 5.420 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.232 6.140 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.043 4.815 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.530 3.965 -1.735 1.00 0.00 H new ATOM 651 N ALA A 43 4.831 4.032 -3.196 1.00 0.00 N ATOM 652 CA ALA A 43 3.394 4.256 -3.193 1.00 0.00 C ATOM 653 C ALA A 43 2.976 4.860 -1.863 1.00 0.00 C ATOM 654 O ALA A 43 3.650 4.650 -0.857 1.00 0.00 O ATOM 655 CB ALA A 43 2.661 2.944 -3.426 1.00 0.00 C ATOM 0 H ALA A 43 5.185 3.656 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 43 3.136 4.947 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.586 3.122 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.956 2.528 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.915 2.240 -2.634 1.00 0.00 H new ATOM 661 N THR A 44 1.857 5.580 -1.863 1.00 0.00 N ATOM 662 CA THR A 44 1.318 6.319 -0.753 1.00 0.00 C ATOM 663 C THR A 44 -0.108 5.809 -0.570 1.00 0.00 C ATOM 664 O THR A 44 -0.915 5.930 -1.493 1.00 0.00 O ATOM 665 CB THR A 44 1.367 7.802 -1.133 1.00 0.00 C ATOM 666 OG1 THR A 44 2.713 8.199 -1.305 1.00 0.00 O ATOM 667 CG2 THR A 44 0.736 8.659 -0.045 1.00 0.00 C ATOM 0 H THR A 44 1.275 5.660 -2.697 1.00 0.00 H new ATOM 0 HA THR A 44 1.866 6.194 0.181 1.00 0.00 H new ATOM 0 HB THR A 44 0.810 7.939 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.746 9.147 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.782 9.708 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.305 8.365 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.278 8.518 0.890 1.00 0.00 H new ATOM 675 N ILE A 45 -0.407 5.195 0.576 1.00 0.00 N ATOM 676 CA ILE A 45 -1.708 4.598 0.865 1.00 0.00 C ATOM 677 C ILE A 45 -2.271 5.279 2.115 1.00 0.00 C ATOM 678 O ILE A 45 -1.490 5.869 2.859 1.00 0.00 O ATOM 679 CB ILE A 45 -1.583 3.078 1.007 1.00 0.00 C ATOM 680 CG1 ILE A 45 -0.859 2.524 -0.226 1.00 0.00 C ATOM 681 CG2 ILE A 45 -2.983 2.440 1.067 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.310 1.139 0.038 1.00 0.00 C ATOM 0 H ILE A 45 0.261 5.098 1.341 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.406 4.758 0.044 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.032 2.848 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.547 2.490 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.045 3.194 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.886 1.359 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.527 2.837 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.528 2.672 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.198 0.773 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.397 1.180 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.129 0.465 0.292 1.00 0.00 H new ATOM 694 N VAL A 46 -3.587 5.221 2.359 1.00 0.00 N ATOM 695 CA VAL A 46 -4.218 5.866 3.507 1.00 0.00 C ATOM 696 C VAL A 46 -5.180 4.892 4.192 1.00 0.00 C ATOM 697 O VAL A 46 -6.077 4.367 3.533 1.00 0.00 O ATOM 698 CB VAL A 46 -4.772 7.249 3.147 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.899 7.172 2.159 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.242 8.047 4.362 1.00 0.00 C ATOM 0 H VAL A 46 -4.243 4.721 1.759 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.476 6.100 4.270 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.928 7.771 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.257 8.177 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.547 6.701 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.713 6.582 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.622 9.015 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.034 7.499 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.406 8.196 5.045 1.00 0.00 H new ATOM 710 N TYR A 47 -4.917 4.554 5.463 1.00 0.00 N ATOM 711 CA TYR A 47 -5.640 3.522 6.214 1.00 0.00 C ATOM 712 C TYR A 47 -5.438 3.683 7.725 1.00 0.00 C ATOM 713 O TYR A 47 -4.754 4.609 8.156 1.00 0.00 O ATOM 714 CB TYR A 47 -5.219 2.125 5.754 1.00 0.00 C ATOM 715 CG TYR A 47 -3.772 1.806 6.019 1.00 0.00 C ATOM 716 CD1 TYR A 47 -2.807 2.171 5.070 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.381 1.160 7.205 1.00 0.00 C ATOM 718 CE1 TYR A 47 -1.497 1.707 5.206 1.00 0.00 C ATOM 719 CE2 TYR A 47 -2.054 0.736 7.359 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.146 0.907 6.305 1.00 0.00 C ATOM 721 OH TYR A 47 -0.037 0.120 6.196 1.00 0.00 O ATOM 0 H TYR A 47 -4.179 5.001 6.007 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.703 3.646 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.842 1.385 6.256 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.412 2.032 4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.075 2.807 4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.100 0.991 7.993 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.754 1.964 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.733 0.280 8.284 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.160 -0.694 6.728 1.00 0.00 H new ATOM 731 N GLN A 48 -6.032 2.784 8.525 1.00 0.00 N ATOM 732 CA GLN A 48 -5.876 2.725 9.982 1.00 0.00 C ATOM 733 C GLN A 48 -5.540 1.327 10.516 1.00 0.00 C ATOM 734 O GLN A 48 -6.067 0.342 9.998 1.00 0.00 O ATOM 735 CB GLN A 48 -7.207 3.159 10.608 1.00 0.00 C ATOM 736 CG GLN A 48 -7.211 4.641 10.974 1.00 0.00 C ATOM 737 CD GLN A 48 -7.027 4.862 12.472 1.00 0.00 C ATOM 738 OE1 GLN A 48 -7.686 4.232 13.291 1.00 0.00 O ATOM 739 NE2 GLN A 48 -6.149 5.783 12.838 1.00 0.00 N ATOM 0 H GLN A 48 -6.651 2.059 8.163 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.041 3.375 10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.019 2.956 9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.398 2.564 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.414 5.150 10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.151 5.090 10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.616 6.290 12.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.005 5.986 13.827 1.00 0.00 H new ATOM 748 N PRO A 49 -4.746 1.237 11.603 1.00 0.00 N ATOM 749 CA PRO A 49 -4.503 0.002 12.338 1.00 0.00 C ATOM 750 C PRO A 49 -5.764 -0.401 13.113 1.00 0.00 C ATOM 751 O PRO A 49 -5.801 -0.328 14.340 1.00 0.00 O ATOM 752 CB PRO A 49 -3.337 0.317 13.286 1.00 0.00 C ATOM 753 CG PRO A 49 -3.530 1.800 13.590 1.00 0.00 C ATOM 754 CD PRO A 49 -4.067 2.347 12.267 1.00 0.00 C ATOM 0 HA PRO A 49 -4.260 -0.835 11.683 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.378 -0.289 14.191 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.372 0.124 12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.233 1.958 14.408 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.594 2.280 13.877 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.755 3.174 12.440 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.256 2.731 11.648 1.00 0.00 H new ATOM 762 N HIS A 50 -6.807 -0.813 12.393 1.00 0.00 N ATOM 763 CA HIS A 50 -8.044 -1.330 12.967 1.00 0.00 C ATOM 764 C HIS A 50 -8.584 -2.434 12.067 1.00 0.00 C ATOM 765 O HIS A 50 -8.658 -3.588 12.476 1.00 0.00 O ATOM 766 CB HIS A 50 -9.070 -0.199 13.166 1.00 0.00 C ATOM 767 CG HIS A 50 -9.217 0.226 14.606 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.191 0.431 15.499 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.395 0.354 15.296 1.00 0.00 C ATOM 770 CE1 HIS A 50 -8.740 0.685 16.699 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.081 0.649 16.627 1.00 0.00 N ATOM 0 H HIS A 50 -6.813 -0.795 11.373 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.845 -1.750 13.953 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.771 0.662 12.569 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.039 -0.527 12.790 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.194 0.396 15.288 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.388 0.246 14.885 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.179 0.890 17.599 1.00 0.00 H new ATOM 779 N LEU A 51 -8.952 -2.081 10.835 1.00 0.00 N ATOM 780 CA LEU A 51 -9.467 -3.053 9.884 1.00 0.00 C ATOM 781 C LEU A 51 -8.320 -3.837 9.249 1.00 0.00 C ATOM 782 O LEU A 51 -8.555 -4.937 8.757 1.00 0.00 O ATOM 783 CB LEU A 51 -10.324 -2.345 8.828 1.00 0.00 C ATOM 784 CG LEU A 51 -11.720 -1.960 9.346 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.321 -0.853 8.474 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.671 -3.164 9.341 1.00 0.00 C ATOM 0 H LEU A 51 -8.901 -1.127 10.477 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.101 -3.769 10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.807 -1.446 8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.431 -2.995 7.960 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.602 -1.608 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.309 -0.589 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.675 0.025 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.407 -1.206 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.649 -2.857 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.772 -3.543 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.269 -3.948 9.982 1.00 0.00 H new ATOM 798 N ILE A 52 -7.094 -3.296 9.257 1.00 0.00 N ATOM 799 CA ILE A 52 -5.940 -3.961 8.692 1.00 0.00 C ATOM 800 C ILE A 52 -4.839 -4.071 9.739 1.00 0.00 C ATOM 801 O ILE A 52 -4.641 -3.147 10.526 1.00 0.00 O ATOM 802 CB ILE A 52 -5.535 -3.236 7.407 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.639 -4.080 6.502 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.822 -1.930 7.712 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.311 -5.392 6.116 1.00 0.00 C ATOM 0 H ILE A 52 -6.887 -2.382 9.660 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.167 -4.989 8.408 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.468 -3.040 6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.396 -3.516 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.698 -4.288 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.547 -1.439 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.484 -1.279 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.923 -2.134 8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.645 -5.966 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.531 -5.967 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.239 -5.183 5.584 1.00 0.00 H new ATOM 817 N SER A 53 -4.066 -5.163 9.721 1.00 0.00 N ATOM 818 CA SER A 53 -3.042 -5.450 10.721 1.00 0.00 C ATOM 819 C SER A 53 -1.739 -4.697 10.472 1.00 0.00 C ATOM 820 O SER A 53 -0.660 -5.183 10.799 1.00 0.00 O ATOM 821 CB SER A 53 -2.796 -6.943 10.793 1.00 0.00 C ATOM 822 OG SER A 53 -4.027 -7.633 10.828 1.00 0.00 O ATOM 0 H SER A 53 -4.139 -5.880 8.999 1.00 0.00 H new ATOM 0 HA SER A 53 -3.420 -5.096 11.680 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.213 -7.266 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.211 -7.181 11.681 1.00 0.00 H new ATOM 0 HG SER A 53 -3.860 -8.598 10.873 1.00 0.00 H new ATOM 828 N VAL A 54 -1.861 -3.523 9.862 1.00 0.00 N ATOM 829 CA VAL A 54 -0.836 -2.534 9.598 1.00 0.00 C ATOM 830 C VAL A 54 0.074 -2.978 8.461 1.00 0.00 C ATOM 831 O VAL A 54 0.202 -2.285 7.450 1.00 0.00 O ATOM 832 CB VAL A 54 -0.153 -2.088 10.909 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.338 -2.408 10.978 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.314 -0.577 11.024 1.00 0.00 C ATOM 0 H VAL A 54 -2.768 -3.216 9.509 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.282 -1.615 9.217 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.631 -2.637 11.720 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.741 -2.062 11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.483 -3.485 10.892 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.856 -1.906 10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.159 -0.230 11.942 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.158 -0.095 10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.374 -0.325 11.044 1.00 0.00 H new ATOM 844 N GLU A 55 0.665 -4.151 8.637 1.00 0.00 N ATOM 845 CA GLU A 55 1.554 -4.803 7.711 1.00 0.00 C ATOM 846 C GLU A 55 0.738 -5.543 6.659 1.00 0.00 C ATOM 847 O GLU A 55 1.103 -5.519 5.481 1.00 0.00 O ATOM 848 CB GLU A 55 2.439 -5.778 8.491 1.00 0.00 C ATOM 849 CG GLU A 55 3.911 -5.520 8.143 1.00 0.00 C ATOM 850 CD GLU A 55 4.840 -6.639 8.588 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.446 -7.808 8.395 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.956 -6.305 9.032 1.00 0.00 O ATOM 0 H GLU A 55 0.522 -4.699 9.485 1.00 0.00 H new ATOM 0 HA GLU A 55 2.183 -4.070 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.280 -5.654 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.171 -6.806 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.004 -5.387 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.229 -4.587 8.608 1.00 0.00 H new ATOM 859 N GLU A 56 -0.355 -6.194 7.099 1.00 0.00 N ATOM 860 CA GLU A 56 -1.182 -7.057 6.259 1.00 0.00 C ATOM 861 C GLU A 56 -1.381 -6.442 4.882 1.00 0.00 C ATOM 862 O GLU A 56 -1.071 -7.050 3.862 1.00 0.00 O ATOM 863 CB GLU A 56 -2.549 -7.283 6.921 1.00 0.00 C ATOM 864 CG GLU A 56 -2.689 -8.705 7.463 1.00 0.00 C ATOM 865 CD GLU A 56 -2.642 -9.724 6.329 1.00 0.00 C ATOM 866 OE1 GLU A 56 -3.299 -9.449 5.298 1.00 0.00 O ATOM 867 OE2 GLU A 56 -1.928 -10.732 6.497 1.00 0.00 O ATOM 0 H GLU A 56 -0.686 -6.129 8.062 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.669 -8.012 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.681 -6.569 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.340 -7.091 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.888 -8.908 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.629 -8.801 8.006 1.00 0.00 H new ATOM 874 N MET A 57 -1.846 -5.192 4.896 1.00 0.00 N ATOM 875 CA MET A 57 -1.994 -4.326 3.752 1.00 0.00 C ATOM 876 C MET A 57 -0.902 -4.599 2.709 1.00 0.00 C ATOM 877 O MET A 57 -1.204 -4.970 1.580 1.00 0.00 O ATOM 878 CB MET A 57 -1.985 -2.876 4.284 1.00 0.00 C ATOM 879 CG MET A 57 -3.083 -1.984 3.708 1.00 0.00 C ATOM 880 SD MET A 57 -2.632 -0.927 2.321 1.00 0.00 S ATOM 881 CE MET A 57 -2.234 -2.110 1.025 1.00 0.00 C ATOM 0 H MET A 57 -2.143 -4.742 5.762 1.00 0.00 H new ATOM 0 HA MET A 57 -2.932 -4.510 3.228 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.085 -2.900 5.369 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.017 -2.427 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.908 -2.623 3.393 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.459 -1.349 4.510 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.426 -1.661 0.051 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.182 -2.387 1.096 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.852 -3.000 1.143 1.00 0.00 H new ATOM 891 N LYS A 58 0.369 -4.417 3.073 1.00 0.00 N ATOM 892 CA LYS A 58 1.497 -4.607 2.194 1.00 0.00 C ATOM 893 C LYS A 58 1.722 -6.084 1.907 1.00 0.00 C ATOM 894 O LYS A 58 1.983 -6.454 0.767 1.00 0.00 O ATOM 895 CB LYS A 58 2.716 -3.944 2.839 1.00 0.00 C ATOM 896 CG LYS A 58 3.045 -2.620 2.139 1.00 0.00 C ATOM 897 CD LYS A 58 1.870 -1.634 2.169 1.00 0.00 C ATOM 898 CE LYS A 58 1.443 -1.254 3.584 1.00 0.00 C ATOM 899 NZ LYS A 58 0.287 -0.341 3.552 1.00 0.00 N ATOM 0 H LYS A 58 0.636 -4.126 4.013 1.00 0.00 H new ATOM 0 HA LYS A 58 1.310 -4.141 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.522 -3.764 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.574 -4.614 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.911 -2.164 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.322 -2.819 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.147 -0.731 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.021 -2.074 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.188 -2.153 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.274 -0.778 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.149 0.078 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.461 0.415 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.566 -0.870 3.280 1.00 0.00 H new ATOM 913 N LYS A 59 1.608 -6.938 2.921 1.00 0.00 N ATOM 914 CA LYS A 59 1.782 -8.366 2.715 1.00 0.00 C ATOM 915 C LYS A 59 0.831 -8.919 1.646 1.00 0.00 C ATOM 916 O LYS A 59 1.195 -9.851 0.932 1.00 0.00 O ATOM 917 CB LYS A 59 1.723 -9.107 4.054 1.00 0.00 C ATOM 918 CG LYS A 59 2.766 -8.584 5.060 1.00 0.00 C ATOM 919 CD LYS A 59 4.159 -8.401 4.430 1.00 0.00 C ATOM 920 CE LYS A 59 5.239 -8.193 5.495 1.00 0.00 C ATOM 921 NZ LYS A 59 6.589 -8.273 4.908 1.00 0.00 N ATOM 0 H LYS A 59 1.398 -6.667 3.882 1.00 0.00 H new ATOM 0 HA LYS A 59 2.777 -8.543 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.726 -9.002 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.887 -10.171 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.427 -7.631 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.838 -9.279 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.404 -9.277 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.144 -7.545 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.103 -7.221 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.134 -8.947 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.124 -9.035 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.514 -8.472 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.083 -7.368 5.048 1.00 0.00 H new ATOM 935 N GLN A 60 -0.341 -8.306 1.458 1.00 0.00 N ATOM 936 CA GLN A 60 -1.268 -8.690 0.407 1.00 0.00 C ATOM 937 C GLN A 60 -0.639 -8.422 -0.955 1.00 0.00 C ATOM 938 O GLN A 60 -0.751 -9.231 -1.869 1.00 0.00 O ATOM 939 CB GLN A 60 -2.578 -7.917 0.553 1.00 0.00 C ATOM 940 CG GLN A 60 -3.157 -8.038 1.969 1.00 0.00 C ATOM 941 CD GLN A 60 -4.566 -8.627 2.049 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.303 -8.673 1.066 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.970 -9.077 3.230 1.00 0.00 N ATOM 0 H GLN A 60 -0.668 -7.530 2.034 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.486 -9.755 0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.408 -6.866 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.303 -8.291 -0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.487 -8.657 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.168 -7.048 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.345 -9.031 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.906 -9.469 3.333 1.00 0.00 H new ATOM 952 N ILE A 61 0.031 -7.275 -1.075 1.00 0.00 N ATOM 953 CA ILE A 61 0.824 -6.947 -2.256 1.00 0.00 C ATOM 954 C ILE A 61 1.982 -7.932 -2.412 1.00 0.00 C ATOM 955 O ILE A 61 2.164 -8.465 -3.505 1.00 0.00 O ATOM 956 CB ILE A 61 1.294 -5.480 -2.260 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.141 -4.522 -2.593 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.370 -5.251 -3.333 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.522 -3.977 -1.337 1.00 0.00 C ATOM 0 H ILE A 61 0.038 -6.550 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 61 0.180 -7.050 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 61 1.683 -5.284 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.518 -3.694 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.601 -5.043 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.685 -4.208 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.228 -5.893 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.961 -5.490 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.332 -3.304 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.923 -4.803 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.213 -3.433 -0.744 1.00 0.00 H new ATOM 971 N GLU A 62 2.758 -8.188 -1.354 1.00 0.00 N ATOM 972 CA GLU A 62 3.899 -9.097 -1.437 1.00 0.00 C ATOM 973 C GLU A 62 3.421 -10.433 -2.011 1.00 0.00 C ATOM 974 O GLU A 62 3.990 -10.974 -2.959 1.00 0.00 O ATOM 975 CB GLU A 62 4.547 -9.275 -0.062 1.00 0.00 C ATOM 976 CG GLU A 62 5.017 -7.909 0.452 1.00 0.00 C ATOM 977 CD GLU A 62 6.375 -8.001 1.114 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.330 -8.194 0.336 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.427 -7.887 2.361 1.00 0.00 O ATOM 0 H GLU A 62 2.614 -7.777 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 62 4.660 -8.680 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.834 -9.714 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.391 -9.962 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.063 -7.203 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.290 -7.517 1.164 1.00 0.00 H new ATOM 986 N ALA A 63 2.305 -10.910 -1.458 1.00 0.00 N ATOM 987 CA ALA A 63 1.627 -12.133 -1.846 1.00 0.00 C ATOM 988 C ALA A 63 1.183 -12.167 -3.316 1.00 0.00 C ATOM 989 O ALA A 63 0.972 -13.255 -3.846 1.00 0.00 O ATOM 990 CB ALA A 63 0.442 -12.342 -0.905 1.00 0.00 C ATOM 0 H ALA A 63 1.833 -10.427 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 63 2.342 -12.951 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.083 -13.257 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.802 -12.423 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.240 -11.495 -0.985 1.00 0.00 H new ATOM 996 N MET A 64 1.049 -11.020 -3.998 1.00 0.00 N ATOM 997 CA MET A 64 0.801 -11.010 -5.438 1.00 0.00 C ATOM 998 C MET A 64 1.988 -11.638 -6.175 1.00 0.00 C ATOM 999 O MET A 64 1.812 -12.211 -7.247 1.00 0.00 O ATOM 1000 CB MET A 64 0.555 -9.583 -5.958 1.00 0.00 C ATOM 1001 CG MET A 64 -0.624 -8.892 -5.263 1.00 0.00 C ATOM 1002 SD MET A 64 -2.267 -9.571 -5.600 1.00 0.00 S ATOM 1003 CE MET A 64 -2.695 -8.641 -7.085 1.00 0.00 C ATOM 0 H MET A 64 1.109 -10.094 -3.574 1.00 0.00 H new ATOM 0 HA MET A 64 -0.098 -11.595 -5.629 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.456 -8.988 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.367 -9.620 -7.031 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.454 -8.927 -4.187 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.623 -7.841 -5.552 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.627 -9.025 -7.499 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.817 -7.588 -6.832 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.900 -8.747 -7.823 1.00 0.00 H new ATOM 1013 N GLY A 65 3.192 -11.508 -5.607 1.00 0.00 N ATOM 1014 CA GLY A 65 4.412 -12.107 -6.135 1.00 0.00 C ATOM 1015 C GLY A 65 5.573 -11.120 -6.084 1.00 0.00 C ATOM 1016 O GLY A 65 6.726 -11.513 -5.924 1.00 0.00 O ATOM 0 H GLY A 65 3.343 -10.973 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.662 -12.998 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.248 -12.428 -7.164 1.00 0.00 H new ATOM 1020 N PHE A 66 5.272 -9.831 -6.242 1.00 0.00 N ATOM 1021 CA PHE A 66 6.272 -8.778 -6.269 1.00 0.00 C ATOM 1022 C PHE A 66 6.673 -8.455 -4.832 1.00 0.00 C ATOM 1023 O PHE A 66 5.812 -7.997 -4.086 1.00 0.00 O ATOM 1024 CB PHE A 66 5.677 -7.537 -6.935 1.00 0.00 C ATOM 1025 CG PHE A 66 5.387 -7.748 -8.403 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.445 -7.664 -9.323 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.128 -8.212 -8.827 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.236 -7.974 -10.674 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.931 -8.572 -10.171 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.974 -8.421 -11.103 1.00 0.00 C ATOM 0 H PHE A 66 4.317 -9.491 -6.355 1.00 0.00 H new ATOM 0 HA PHE A 66 7.148 -9.099 -6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.756 -7.261 -6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.368 -6.702 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.425 -7.359 -8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.315 -8.291 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.043 -7.870 -11.384 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.977 -8.965 -10.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.806 -8.648 -12.145 1.00 0.00 H new ATOM 1040 N PRO A 67 7.934 -8.668 -4.422 1.00 0.00 N ATOM 1041 CA PRO A 67 8.357 -8.372 -3.064 1.00 0.00 C ATOM 1042 C PRO A 67 8.215 -6.869 -2.831 1.00 0.00 C ATOM 1043 O PRO A 67 8.759 -6.079 -3.601 1.00 0.00 O ATOM 1044 CB PRO A 67 9.811 -8.845 -2.980 1.00 0.00 C ATOM 1045 CG PRO A 67 10.311 -8.727 -4.421 1.00 0.00 C ATOM 1046 CD PRO A 67 9.067 -9.055 -5.249 1.00 0.00 C ATOM 0 HA PRO A 67 7.761 -8.868 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.396 -8.225 -2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.879 -9.870 -2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.686 -7.727 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.125 -9.423 -4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.069 -8.509 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.028 -10.116 -5.495 1.00 0.00 H new ATOM 1054 N ALA A 68 7.459 -6.472 -1.805 1.00 0.00 N ATOM 1055 CA ALA A 68 7.234 -5.064 -1.487 1.00 0.00 C ATOM 1056 C ALA A 68 7.884 -4.713 -0.150 1.00 0.00 C ATOM 1057 O ALA A 68 8.718 -5.460 0.357 1.00 0.00 O ATOM 1058 CB ALA A 68 5.733 -4.771 -1.514 1.00 0.00 C ATOM 0 H ALA A 68 6.987 -7.118 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 68 7.705 -4.428 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.563 -3.721 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.338 -4.988 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.227 -5.396 -0.778 1.00 0.00 H new ATOM 1064 N PHE A 69 7.535 -3.560 0.430 1.00 0.00 N ATOM 1065 CA PHE A 69 8.040 -3.181 1.744 1.00 0.00 C ATOM 1066 C PHE A 69 7.194 -2.078 2.365 1.00 0.00 C ATOM 1067 O PHE A 69 6.825 -1.127 1.681 1.00 0.00 O ATOM 1068 CB PHE A 69 9.514 -2.756 1.658 1.00 0.00 C ATOM 1069 CG PHE A 69 10.369 -3.328 2.767 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.986 -4.581 2.593 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.503 -2.647 3.991 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.767 -5.133 3.623 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.275 -3.205 5.026 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.917 -4.442 4.838 1.00 0.00 C ATOM 0 H PHE A 69 6.906 -2.877 0.007 1.00 0.00 H new ATOM 0 HA PHE A 69 7.972 -4.055 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.920 -3.071 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.573 -1.668 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.859 -5.120 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.013 -1.696 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.252 -6.088 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.375 -2.683 5.966 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.525 -4.861 5.626 1.00 0.00 H new ATOM 1084 N VAL A 70 6.918 -2.190 3.666 1.00 0.00 N ATOM 1085 CA VAL A 70 6.248 -1.168 4.457 1.00 0.00 C ATOM 1086 C VAL A 70 7.307 -0.356 5.207 1.00 0.00 C ATOM 1087 O VAL A 70 8.221 -0.934 5.789 1.00 0.00 O ATOM 1088 CB VAL A 70 5.158 -1.778 5.349 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.751 -2.809 6.283 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.395 -0.724 6.156 1.00 0.00 C ATOM 0 H VAL A 70 7.163 -3.018 4.209 1.00 0.00 H new ATOM 0 HA VAL A 70 5.709 -0.473 3.813 1.00 0.00 H new ATOM 0 HB VAL A 70 4.442 -2.257 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.963 -3.230 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.216 -3.604 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.502 -2.337 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.637 -1.213 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.090 -0.186 6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.914 -0.022 5.475 1.00 0.00 H new ATOM 1100 N LYS A 71 7.221 0.977 5.160 1.00 0.00 N ATOM 1101 CA LYS A 71 8.120 1.831 5.932 1.00 0.00 C ATOM 1102 C LYS A 71 7.629 1.981 7.377 1.00 0.00 C ATOM 1103 O LYS A 71 8.118 1.298 8.272 1.00 0.00 O ATOM 1104 CB LYS A 71 8.328 3.181 5.241 1.00 0.00 C ATOM 1105 CG LYS A 71 8.998 3.007 3.867 1.00 0.00 C ATOM 1106 CD LYS A 71 9.744 4.290 3.485 1.00 0.00 C ATOM 1107 CE LYS A 71 11.096 4.371 4.220 1.00 0.00 C ATOM 1108 NZ LYS A 71 11.464 5.757 4.571 1.00 0.00 N ATOM 0 H LYS A 71 6.539 1.484 4.596 1.00 0.00 H new ATOM 0 HA LYS A 71 9.096 1.349 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.367 3.682 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.944 3.823 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.692 2.167 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.246 2.775 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.908 4.315 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.135 5.159 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.049 3.769 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.875 3.939 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.380 5.759 5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.535 6.327 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.736 6.163 5.193 1.00 0.00 H new ATOM 1122 N LYS A 72 6.691 2.899 7.620 1.00 0.00 N ATOM 1123 CA LYS A 72 6.137 3.177 8.937 1.00 0.00 C ATOM 1124 C LYS A 72 4.752 3.789 8.749 1.00 0.00 C ATOM 1125 O LYS A 72 4.566 4.592 7.837 1.00 0.00 O ATOM 1126 CB LYS A 72 7.033 4.168 9.703 1.00 0.00 C ATOM 1127 CG LYS A 72 8.038 3.485 10.648 1.00 0.00 C ATOM 1128 CD LYS A 72 8.400 4.419 11.817 1.00 0.00 C ATOM 1129 CE LYS A 72 7.262 4.383 12.852 1.00 0.00 C ATOM 1130 NZ LYS A 72 7.229 5.535 13.774 1.00 0.00 N ATOM 0 H LYS A 72 6.289 3.481 6.885 1.00 0.00 H new ATOM 0 HA LYS A 72 6.078 2.253 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.580 4.780 8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.402 4.842 10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.612 2.559 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.939 3.216 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.337 4.104 12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.549 5.436 11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.310 4.331 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.351 3.468 13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.246 5.848 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.627 5.255 14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.791 6.314 13.376 1.00 0.00 H new ATOM 1144 N ILE A 73 3.803 3.421 9.612 1.00 0.00 N ATOM 1145 CA ILE A 73 2.453 3.924 9.645 1.00 0.00 C ATOM 1146 C ILE A 73 1.990 3.906 11.100 1.00 0.00 C ATOM 1147 O ILE A 73 2.000 2.848 11.723 1.00 0.00 O ATOM 1148 CB ILE A 73 1.567 3.089 8.722 1.00 0.00 C ATOM 1149 CG1 ILE A 73 0.108 3.527 8.739 1.00 0.00 C ATOM 1150 CG2 ILE A 73 1.827 1.595 8.853 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -0.759 2.921 9.827 1.00 0.00 C ATOM 0 H ILE A 73 3.978 2.727 10.339 1.00 0.00 H new ATOM 0 HA ILE A 73 2.392 4.948 9.277 1.00 0.00 H new ATOM 0 HB ILE A 73 1.869 3.304 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.077 4.612 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.334 3.284 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.170 1.051 8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.866 1.383 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.631 1.280 9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.775 3.306 9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.772 1.836 9.720 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.354 3.185 10.804 1.00 0.00 H new ATOM 1163 N GLU A 74 1.572 5.058 11.622 1.00 0.00 N ATOM 1164 CA GLU A 74 0.885 5.191 12.896 1.00 0.00 C ATOM 1165 C GLU A 74 -0.058 6.371 12.734 1.00 0.00 C ATOM 1166 O GLU A 74 0.299 7.330 12.054 1.00 0.00 O ATOM 1167 CB GLU A 74 1.882 5.530 14.019 1.00 0.00 C ATOM 1168 CG GLU A 74 2.708 4.346 14.547 1.00 0.00 C ATOM 1169 CD GLU A 74 4.211 4.515 14.369 1.00 0.00 C ATOM 1170 OE1 GLU A 74 4.722 5.650 14.515 1.00 0.00 O ATOM 1171 OE2 GLU A 74 4.885 3.504 14.094 1.00 0.00 O ATOM 0 H GLU A 74 1.709 5.952 11.150 1.00 0.00 H new ATOM 0 HA GLU A 74 0.374 4.264 13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.567 6.295 13.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.331 5.966 14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.491 4.207 15.606 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.391 3.437 14.035 1.00 0.00 H new ATOM 1178 N GLY A 75 -1.243 6.283 13.339 1.00 0.00 N ATOM 1179 CA GLY A 75 -2.254 7.324 13.303 1.00 0.00 C ATOM 1180 C GLY A 75 -2.622 7.742 14.721 1.00 0.00 C ATOM 1181 O GLY A 75 -1.750 7.958 15.560 1.00 0.00 O ATOM 0 H GLY A 75 -1.527 5.465 13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.882 8.184 12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.140 6.964 12.780 1.00 0.00 H new ATOM 1185 N ARG A 76 -3.923 7.849 14.972 1.00 0.00 N ATOM 1186 CA ARG A 76 -4.566 8.163 16.232 1.00 0.00 C ATOM 1187 C ARG A 76 -6.059 7.999 15.937 1.00 0.00 C ATOM 1188 O ARG A 76 -6.892 8.636 16.608 1.00 0.00 O ATOM 1189 CB ARG A 76 -4.205 9.581 16.707 1.00 0.00 C ATOM 1190 CG ARG A 76 -4.627 10.673 15.709 1.00 0.00 C ATOM 1191 CD ARG A 76 -4.492 12.091 16.282 1.00 0.00 C ATOM 1192 NE ARG A 76 -3.180 12.696 16.001 1.00 0.00 N ATOM 1193 CZ ARG A 76 -2.092 12.648 16.787 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -2.093 11.899 17.893 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -1.008 13.361 16.459 1.00 0.00 N ATOM 1196 OXT ARG A 76 -6.343 7.327 14.916 1.00 0.00 O ATOM 0 H ARG A 76 -4.609 7.705 14.231 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.244 7.516 17.048 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.684 9.770 17.668 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.129 9.641 16.870 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.017 10.591 14.809 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.662 10.504 15.410 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.276 12.723 15.864 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.649 12.059 17.360 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.088 13.203 15.121 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.922 11.361 18.144 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.264 11.865 18.487 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.012 13.936 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.178 13.329 17.051 1.00 0.00 H new TER 1210 ARG A 76