USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 25 GLN : amide:sc= -0.171 K(o=-1.8,f=-2.3) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.63 K(o=-1.8,f=-3!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.382 K(o=0.8,f=-0.64) USER MOD Set 2.2: A 17 HIS : no HE2:sc= 0.418 K(o=0.8,f=-3.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.179! (180deg=-0.504!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.987) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.26 (180deg=-0.0149) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.29! C(o=-2.3!,f=-8.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 61:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= -1.63 K(o=-1.6,f=-7.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.71 (180deg=0.166) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -129:sc= -0.121 (180deg=-1.66) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 1.12 (180deg=0.614) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.528 USER MOD Single : A 48 CYS SG : rot 135:sc= -2.56! USER MOD Single : A 51 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 141:sc= -3.1! (180deg=-5.23!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.191 F(o=-5!,f=-0.19) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.1! C(o=-4.6!,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot -32:sc= 0.942 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -160:sc= -2.32 (180deg=-3.78!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.9! C(o=-3.7!,f=-1.9!) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.604 F(o=-1.5!,f=-0.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.485 11.895 14.613 1.00 0.00 N ATOM 2 CA MET A 1 22.129 11.322 14.661 1.00 0.00 C ATOM 3 C MET A 1 21.102 12.365 15.115 1.00 0.00 C ATOM 4 O MET A 1 20.025 12.019 15.602 1.00 0.00 O ATOM 5 CB MET A 1 22.105 10.112 15.604 1.00 0.00 C ATOM 6 CG MET A 1 22.505 10.435 17.037 1.00 0.00 C ATOM 7 SD MET A 1 22.564 8.970 18.085 1.00 0.00 S ATOM 8 CE MET A 1 23.125 9.681 19.629 1.00 0.00 C ATOM 0 H1 MET A 1 24.177 11.136 14.452 1.00 0.00 H new ATOM 0 H2 MET A 1 23.543 12.586 13.838 1.00 0.00 H new ATOM 0 H3 MET A 1 23.694 12.369 15.515 1.00 0.00 H new ATOM 0 HA MET A 1 21.860 11.000 13.655 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.102 9.685 15.605 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.776 9.347 15.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.482 10.918 17.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.796 11.149 17.456 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.211 8.896 20.381 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.098 10.151 19.481 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.408 10.430 19.967 1.00 0.00 H new ATOM 18 N ALA A 2 21.417 13.647 14.937 1.00 0.00 N ATOM 19 CA ALA A 2 20.517 14.707 15.370 1.00 0.00 C ATOM 20 C ALA A 2 20.285 15.752 14.279 1.00 0.00 C ATOM 21 O ALA A 2 19.153 16.046 13.926 1.00 0.00 O ATOM 22 CB ALA A 2 21.044 15.369 16.636 1.00 0.00 C ATOM 0 H ALA A 2 22.280 13.972 14.500 1.00 0.00 H new ATOM 0 HA ALA A 2 19.554 14.244 15.583 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.359 16.159 16.946 1.00 0.00 H new ATOM 0 HB2 ALA A 2 21.123 14.626 17.429 1.00 0.00 H new ATOM 0 HB3 ALA A 2 22.027 15.797 16.440 1.00 0.00 H new ATOM 28 N ASP A 3 21.358 16.314 13.740 1.00 0.00 N ATOM 29 CA ASP A 3 21.235 17.385 12.739 1.00 0.00 C ATOM 30 C ASP A 3 21.721 16.939 11.359 1.00 0.00 C ATOM 31 O ASP A 3 21.488 17.603 10.355 1.00 0.00 O ATOM 32 CB ASP A 3 22.006 18.623 13.212 1.00 0.00 C ATOM 33 CG ASP A 3 21.976 19.770 12.222 1.00 0.00 C ATOM 34 OD1 ASP A 3 20.952 20.483 12.162 1.00 0.00 O ATOM 35 OD2 ASP A 3 22.986 19.974 11.510 1.00 0.00 O ATOM 0 H ASP A 3 22.317 16.055 13.970 1.00 0.00 H new ATOM 0 HA ASP A 3 20.178 17.633 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.588 18.961 14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 3 23.043 18.345 13.402 1.00 0.00 H new ATOM 40 N GLU A 4 22.356 15.799 11.301 1.00 0.00 N ATOM 41 CA GLU A 4 22.873 15.288 10.044 1.00 0.00 C ATOM 42 C GLU A 4 22.062 14.085 9.611 1.00 0.00 C ATOM 43 O GLU A 4 21.816 13.876 8.426 1.00 0.00 O ATOM 44 CB GLU A 4 24.366 14.941 10.146 1.00 0.00 C ATOM 45 CG GLU A 4 24.683 13.807 11.091 1.00 0.00 C ATOM 46 CD GLU A 4 24.398 14.143 12.532 1.00 0.00 C ATOM 47 OE1 GLU A 4 23.253 13.910 12.986 1.00 0.00 O ATOM 48 OE2 GLU A 4 25.298 14.649 13.220 1.00 0.00 O ATOM 0 H GLU A 4 22.532 15.200 12.107 1.00 0.00 H new ATOM 0 HA GLU A 4 22.779 16.069 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 24.735 14.683 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 4 24.911 15.828 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 4 24.101 12.931 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.734 13.538 10.988 1.00 0.00 H new ATOM 55 N LYS A 5 21.608 13.311 10.591 1.00 0.00 N ATOM 56 CA LYS A 5 20.786 12.132 10.353 1.00 0.00 C ATOM 57 C LYS A 5 19.858 11.884 11.540 1.00 0.00 C ATOM 58 O LYS A 5 20.079 10.963 12.326 1.00 0.00 O ATOM 59 CB LYS A 5 21.642 10.878 10.084 1.00 0.00 C ATOM 60 CG LYS A 5 22.288 10.830 8.700 1.00 0.00 C ATOM 61 CD LYS A 5 21.243 10.841 7.580 1.00 0.00 C ATOM 62 CE LYS A 5 20.327 9.623 7.639 1.00 0.00 C ATOM 63 NZ LYS A 5 19.229 9.712 6.643 1.00 0.00 N ATOM 0 H LYS A 5 21.801 13.486 11.577 1.00 0.00 H new ATOM 0 HA LYS A 5 20.190 12.326 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.427 10.822 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.016 9.994 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.956 11.683 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.900 9.932 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.644 11.749 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.747 10.868 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.910 8.720 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.904 9.534 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.627 8.867 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.657 10.560 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.632 9.772 5.686 1.00 0.00 H new ATOM 77 N PRO A 6 18.835 12.737 11.714 1.00 0.00 N ATOM 78 CA PRO A 6 17.860 12.578 12.788 1.00 0.00 C ATOM 79 C PRO A 6 16.876 11.448 12.492 1.00 0.00 C ATOM 80 O PRO A 6 16.623 11.120 11.331 1.00 0.00 O ATOM 81 CB PRO A 6 17.134 13.922 12.826 1.00 0.00 C ATOM 82 CG PRO A 6 17.294 14.500 11.458 1.00 0.00 C ATOM 83 CD PRO A 6 18.563 13.927 10.883 1.00 0.00 C ATOM 0 HA PRO A 6 18.332 12.318 13.735 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.081 13.793 13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.563 14.579 13.582 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.439 14.249 10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.348 15.588 11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.439 13.660 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 6 19.382 14.644 10.935 1.00 0.00 H new ATOM 91 N LYS A 7 16.319 10.852 13.538 1.00 0.00 N ATOM 92 CA LYS A 7 15.386 9.736 13.378 1.00 0.00 C ATOM 93 C LYS A 7 14.057 10.199 12.771 1.00 0.00 C ATOM 94 O LYS A 7 13.253 9.386 12.303 1.00 0.00 O ATOM 95 CB LYS A 7 15.158 9.031 14.714 1.00 0.00 C ATOM 96 CG LYS A 7 14.406 9.854 15.725 1.00 0.00 C ATOM 97 CD LYS A 7 14.313 9.138 17.051 1.00 0.00 C ATOM 98 CE LYS A 7 13.320 9.816 17.965 1.00 0.00 C ATOM 99 NZ LYS A 7 13.638 11.249 18.171 1.00 0.00 N ATOM 0 H LYS A 7 16.494 11.120 14.507 1.00 0.00 H new ATOM 0 HA LYS A 7 15.833 9.024 12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.610 8.106 14.535 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.124 8.753 15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.905 10.813 15.861 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.404 10.066 15.352 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.015 8.102 16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.294 9.116 17.526 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.319 9.724 17.543 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.308 9.306 18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.390 11.523 19.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.655 11.405 18.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.093 11.826 17.499 1.00 0.00 H new ATOM 113 N GLU A 8 13.822 11.507 12.792 1.00 0.00 N ATOM 114 CA GLU A 8 12.627 12.087 12.197 1.00 0.00 C ATOM 115 C GLU A 8 12.727 12.049 10.691 1.00 0.00 C ATOM 116 O GLU A 8 12.047 11.277 10.013 1.00 0.00 O ATOM 117 CB GLU A 8 12.417 13.540 12.671 1.00 0.00 C ATOM 118 CG GLU A 8 11.986 13.691 14.133 1.00 0.00 C ATOM 119 CD GLU A 8 12.989 13.133 15.118 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.189 13.459 15.002 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.581 12.370 16.017 1.00 0.00 O ATOM 0 H GLU A 8 14.450 12.188 13.219 1.00 0.00 H new ATOM 0 HA GLU A 8 11.770 11.496 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.345 14.092 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.664 14.008 12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.825 14.747 14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.030 13.188 14.276 1.00 0.00 H new ATOM 128 N GLY A 9 13.565 12.886 10.177 1.00 0.00 N ATOM 129 CA GLY A 9 13.804 12.949 8.751 1.00 0.00 C ATOM 130 C GLY A 9 12.865 13.904 8.060 1.00 0.00 C ATOM 131 O GLY A 9 13.292 14.828 7.358 1.00 0.00 O ATOM 0 H GLY A 9 14.111 13.552 10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.833 13.259 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.690 11.954 8.321 1.00 0.00 H new ATOM 135 N VAL A 10 11.582 13.697 8.264 1.00 0.00 N ATOM 136 CA VAL A 10 10.565 14.528 7.668 1.00 0.00 C ATOM 137 C VAL A 10 10.401 15.825 8.467 1.00 0.00 C ATOM 138 O VAL A 10 10.695 15.874 9.663 1.00 0.00 O ATOM 139 CB VAL A 10 9.206 13.773 7.582 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.688 13.426 8.970 1.00 0.00 C ATOM 141 CG2 VAL A 10 8.172 14.574 6.797 1.00 0.00 C ATOM 0 H VAL A 10 11.217 12.946 8.849 1.00 0.00 H new ATOM 0 HA VAL A 10 10.882 14.775 6.655 1.00 0.00 H new ATOM 0 HB VAL A 10 9.379 12.842 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.738 12.899 8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.411 12.789 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.544 14.341 9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.235 14.018 6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.004 15.532 7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.537 14.745 5.784 1.00 0.00 H new ATOM 151 N LYS A 11 9.974 16.885 7.791 1.00 0.00 N ATOM 152 CA LYS A 11 9.750 18.173 8.438 1.00 0.00 C ATOM 153 C LYS A 11 8.596 18.088 9.432 1.00 0.00 C ATOM 154 O LYS A 11 7.906 17.068 9.520 1.00 0.00 O ATOM 155 CB LYS A 11 9.466 19.269 7.393 1.00 0.00 C ATOM 156 CG LYS A 11 10.710 19.918 6.757 1.00 0.00 C ATOM 157 CD LYS A 11 11.528 18.948 5.900 1.00 0.00 C ATOM 158 CE LYS A 11 12.529 18.158 6.735 1.00 0.00 C ATOM 159 NZ LYS A 11 13.339 17.231 5.910 1.00 0.00 N ATOM 0 H LYS A 11 9.775 16.878 6.791 1.00 0.00 H new ATOM 0 HA LYS A 11 10.658 18.435 8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.856 18.840 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.871 20.051 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.397 20.761 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.346 20.319 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.856 18.258 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.059 19.505 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.191 18.850 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.996 17.591 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.379 16.300 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.905 17.133 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.303 17.609 5.808 1.00 0.00 H new ATOM 173 N THR A 12 8.380 19.154 10.176 1.00 0.00 N ATOM 174 CA THR A 12 7.321 19.182 11.157 1.00 0.00 C ATOM 175 C THR A 12 5.968 19.254 10.476 1.00 0.00 C ATOM 176 O THR A 12 5.475 20.331 10.117 1.00 0.00 O ATOM 177 CB THR A 12 7.459 20.367 12.105 1.00 0.00 C ATOM 178 OG1 THR A 12 8.810 20.450 12.591 1.00 0.00 O ATOM 179 CG2 THR A 12 6.506 20.224 13.280 1.00 0.00 C ATOM 0 H THR A 12 8.927 20.013 10.118 1.00 0.00 H new ATOM 0 HA THR A 12 7.399 18.261 11.736 1.00 0.00 H new ATOM 0 HB THR A 12 7.211 21.277 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.893 21.215 13.198 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.619 21.079 13.946 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.480 20.182 12.914 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.734 19.308 13.824 1.00 0.00 H new ATOM 187 N GLU A 13 5.393 18.119 10.262 1.00 0.00 N ATOM 188 CA GLU A 13 4.106 18.007 9.635 1.00 0.00 C ATOM 189 C GLU A 13 3.016 17.961 10.677 1.00 0.00 C ATOM 190 O GLU A 13 3.236 17.511 11.804 1.00 0.00 O ATOM 191 CB GLU A 13 4.061 16.729 8.805 1.00 0.00 C ATOM 192 CG GLU A 13 4.951 16.749 7.582 1.00 0.00 C ATOM 193 CD GLU A 13 4.358 17.565 6.465 1.00 0.00 C ATOM 194 OE1 GLU A 13 3.581 16.990 5.667 1.00 0.00 O ATOM 195 OE2 GLU A 13 4.647 18.778 6.389 1.00 0.00 O ATOM 0 H GLU A 13 5.806 17.223 10.520 1.00 0.00 H new ATOM 0 HA GLU A 13 3.948 18.875 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.350 15.889 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.033 16.551 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.926 17.156 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.116 15.728 7.237 1.00 0.00 H new ATOM 202 N ASN A 14 1.842 18.430 10.320 1.00 0.00 N ATOM 203 CA ASN A 14 0.695 18.339 11.195 1.00 0.00 C ATOM 204 C ASN A 14 0.124 16.949 11.030 1.00 0.00 C ATOM 205 O ASN A 14 0.488 16.241 10.090 1.00 0.00 O ATOM 206 CB ASN A 14 -0.361 19.388 10.818 1.00 0.00 C ATOM 207 CG ASN A 14 0.182 20.808 10.823 1.00 0.00 C ATOM 208 OD1 ASN A 14 0.702 21.292 9.817 1.00 0.00 O ATOM 209 ND2 ASN A 14 0.058 21.488 11.945 1.00 0.00 N ATOM 0 H ASN A 14 1.656 18.881 9.424 1.00 0.00 H new ATOM 0 HA ASN A 14 0.988 18.526 12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.755 19.159 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.196 19.322 11.516 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.398 22.448 12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.378 21.054 12.759 1.00 0.00 H new ATOM 216 N ASN A 15 -0.755 16.525 11.905 1.00 0.00 N ATOM 217 CA ASN A 15 -1.295 15.187 11.773 1.00 0.00 C ATOM 218 C ASN A 15 -2.395 15.120 10.722 1.00 0.00 C ATOM 219 O ASN A 15 -3.584 15.090 11.037 1.00 0.00 O ATOM 220 CB ASN A 15 -1.770 14.605 13.113 1.00 0.00 C ATOM 221 CG ASN A 15 -2.277 13.166 12.979 1.00 0.00 C ATOM 222 OD1 ASN A 15 -3.475 12.926 12.839 1.00 0.00 O ATOM 223 ND2 ASN A 15 -1.366 12.209 12.986 1.00 0.00 N ATOM 0 H ASN A 15 -1.106 17.066 12.696 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.471 14.561 11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.949 14.633 13.829 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.566 15.231 13.516 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.648 11.235 12.873 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.380 12.444 13.104 1.00 0.00 H new ATOM 230 N ASP A 16 -1.996 15.180 9.464 1.00 0.00 N ATOM 231 CA ASP A 16 -2.904 14.954 8.362 1.00 0.00 C ATOM 232 C ASP A 16 -2.596 13.604 7.747 1.00 0.00 C ATOM 233 O ASP A 16 -1.725 13.454 6.888 1.00 0.00 O ATOM 234 CB ASP A 16 -2.879 16.095 7.306 1.00 0.00 C ATOM 235 CG ASP A 16 -1.490 16.482 6.825 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.874 17.377 7.442 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.005 15.909 5.826 1.00 0.00 O ATOM 0 H ASP A 16 -1.038 15.386 9.182 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.923 14.955 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.475 15.789 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.361 16.976 7.731 1.00 0.00 H new ATOM 242 N HIS A 17 -3.268 12.606 8.240 1.00 0.00 N ATOM 243 CA HIS A 17 -3.068 11.249 7.800 1.00 0.00 C ATOM 244 C HIS A 17 -4.357 10.714 7.206 1.00 0.00 C ATOM 245 O HIS A 17 -5.446 11.133 7.596 1.00 0.00 O ATOM 246 CB HIS A 17 -2.610 10.362 8.988 1.00 0.00 C ATOM 247 CG HIS A 17 -3.711 9.998 9.961 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.123 10.823 10.986 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.498 8.896 10.036 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.108 10.248 11.643 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.362 9.081 11.090 1.00 0.00 N ATOM 0 H HIS A 17 -3.978 12.708 8.966 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.290 11.229 7.037 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.174 9.445 8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.821 10.882 9.530 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.726 11.737 11.202 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.454 8.033 9.388 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.623 10.665 12.496 1.00 0.00 H new ATOM 260 N ILE A 18 -4.255 9.807 6.267 1.00 0.00 N ATOM 261 CA ILE A 18 -5.431 9.215 5.672 1.00 0.00 C ATOM 262 C ILE A 18 -5.330 7.700 5.679 1.00 0.00 C ATOM 263 O ILE A 18 -4.233 7.132 5.750 1.00 0.00 O ATOM 264 CB ILE A 18 -5.689 9.718 4.227 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.457 9.511 3.347 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.107 11.182 4.236 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.697 9.830 1.885 1.00 0.00 C ATOM 0 H ILE A 18 -3.370 9.461 5.897 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.278 9.528 6.283 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.505 9.131 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.646 10.137 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.127 8.476 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.283 11.516 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.022 11.296 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.316 11.784 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.780 9.661 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.486 9.186 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.997 10.873 1.785 1.00 0.00 H new ATOM 279 N ASN A 19 -6.465 7.045 5.627 1.00 0.00 N ATOM 280 CA ASN A 19 -6.515 5.593 5.657 1.00 0.00 C ATOM 281 C ASN A 19 -6.611 5.052 4.247 1.00 0.00 C ATOM 282 O ASN A 19 -7.593 5.270 3.565 1.00 0.00 O ATOM 283 CB ASN A 19 -7.729 5.105 6.470 1.00 0.00 C ATOM 284 CG ASN A 19 -8.256 6.143 7.451 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.801 6.243 8.580 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.234 6.902 7.024 1.00 0.00 N ATOM 0 H ASN A 19 -7.378 7.495 5.563 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.603 5.230 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.528 4.826 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.451 4.205 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.641 7.605 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.589 6.790 6.074 1.00 0.00 H new ATOM 293 N LEU A 20 -5.593 4.367 3.801 1.00 0.00 N ATOM 294 CA LEU A 20 -5.604 3.779 2.481 1.00 0.00 C ATOM 295 C LEU A 20 -5.704 2.283 2.592 1.00 0.00 C ATOM 296 O LEU A 20 -4.944 1.649 3.318 1.00 0.00 O ATOM 297 CB LEU A 20 -4.354 4.152 1.672 1.00 0.00 C ATOM 298 CG LEU A 20 -4.159 5.634 1.351 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.489 6.324 1.108 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.370 6.329 2.434 1.00 0.00 C ATOM 0 H LEU A 20 -4.739 4.199 4.333 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.471 4.175 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.478 3.805 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.381 3.601 0.732 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.581 5.699 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.317 7.376 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.996 5.851 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.110 6.241 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.248 7.381 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.902 6.246 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.389 5.862 2.526 1.00 0.00 H new ATOM 312 N LYS A 21 -6.636 1.709 1.895 1.00 0.00 N ATOM 313 CA LYS A 21 -6.809 0.290 1.943 1.00 0.00 C ATOM 314 C LYS A 21 -6.327 -0.359 0.675 1.00 0.00 C ATOM 315 O LYS A 21 -6.517 0.162 -0.412 1.00 0.00 O ATOM 316 CB LYS A 21 -8.260 -0.065 2.203 1.00 0.00 C ATOM 317 CG LYS A 21 -8.544 -1.551 2.106 1.00 0.00 C ATOM 318 CD LYS A 21 -9.873 -1.891 2.713 1.00 0.00 C ATOM 319 CE LYS A 21 -11.014 -1.248 1.940 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.336 -1.711 2.415 1.00 0.00 N ATOM 0 H LYS A 21 -7.289 2.202 1.286 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.206 -0.091 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.540 0.287 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.890 0.465 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.529 -1.859 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.756 -2.108 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.003 -2.973 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.898 -1.555 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.953 -0.164 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.909 -1.478 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.085 -1.248 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.405 -2.742 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.448 -1.469 3.420 1.00 0.00 H new ATOM 334 N VAL A 22 -5.717 -1.504 0.810 1.00 0.00 N ATOM 335 CA VAL A 22 -5.204 -2.228 -0.322 1.00 0.00 C ATOM 336 C VAL A 22 -5.999 -3.501 -0.503 1.00 0.00 C ATOM 337 O VAL A 22 -6.103 -4.311 0.413 1.00 0.00 O ATOM 338 CB VAL A 22 -3.708 -2.563 -0.157 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.180 -3.242 -1.401 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.907 -1.307 0.148 1.00 0.00 C ATOM 0 H VAL A 22 -5.561 -1.962 1.708 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.304 -1.595 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.599 -3.248 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.123 -3.472 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.733 -4.165 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.303 -2.579 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.854 -1.565 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.020 -0.596 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.271 -0.858 1.072 1.00 0.00 H new ATOM 350 N ALA A 23 -6.554 -3.677 -1.678 1.00 0.00 N ATOM 351 CA ALA A 23 -7.388 -4.821 -1.968 1.00 0.00 C ATOM 352 C ALA A 23 -6.944 -5.499 -3.239 1.00 0.00 C ATOM 353 O ALA A 23 -7.068 -4.952 -4.340 1.00 0.00 O ATOM 354 CB ALA A 23 -8.847 -4.416 -2.063 1.00 0.00 C ATOM 0 H ALA A 23 -6.441 -3.032 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.283 -5.530 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.455 -5.294 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.166 -3.981 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.970 -3.682 -2.859 1.00 0.00 H new ATOM 360 N GLY A 24 -6.428 -6.683 -3.100 1.00 0.00 N ATOM 361 CA GLY A 24 -5.959 -7.413 -4.246 1.00 0.00 C ATOM 362 C GLY A 24 -6.987 -8.380 -4.761 1.00 0.00 C ATOM 363 O GLY A 24 -7.777 -8.921 -3.989 1.00 0.00 O ATOM 0 H GLY A 24 -6.320 -7.166 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.693 -6.712 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.051 -7.956 -3.983 1.00 0.00 H new ATOM 367 N GLN A 25 -6.981 -8.617 -6.074 1.00 0.00 N ATOM 368 CA GLN A 25 -7.917 -9.565 -6.695 1.00 0.00 C ATOM 369 C GLN A 25 -7.753 -10.995 -6.146 1.00 0.00 C ATOM 370 O GLN A 25 -8.583 -11.869 -6.382 1.00 0.00 O ATOM 371 CB GLN A 25 -7.821 -9.538 -8.239 1.00 0.00 C ATOM 372 CG GLN A 25 -6.414 -9.339 -8.819 1.00 0.00 C ATOM 373 CD GLN A 25 -5.415 -10.392 -8.383 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.296 -11.440 -9.001 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.652 -10.093 -7.346 1.00 0.00 N ATOM 0 H GLN A 25 -6.341 -8.168 -6.729 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.919 -9.234 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.223 -10.475 -8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.462 -8.739 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.477 -9.340 -9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.045 -8.357 -8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.782 -9.208 -6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.933 -10.747 -7.036 1.00 0.00 H new ATOM 384 N ASP A 26 -6.677 -11.213 -5.408 1.00 0.00 N ATOM 385 CA ASP A 26 -6.401 -12.492 -4.756 1.00 0.00 C ATOM 386 C ASP A 26 -7.365 -12.707 -3.591 1.00 0.00 C ATOM 387 O ASP A 26 -7.593 -13.827 -3.143 1.00 0.00 O ATOM 388 CB ASP A 26 -4.954 -12.491 -4.238 1.00 0.00 C ATOM 389 CG ASP A 26 -4.660 -13.622 -3.269 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.867 -13.431 -2.048 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.217 -14.694 -3.713 1.00 0.00 O ATOM 0 H ASP A 26 -5.962 -10.505 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.535 -13.300 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.272 -12.562 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.753 -11.539 -3.746 1.00 0.00 H new ATOM 396 N GLY A 27 -7.972 -11.630 -3.140 1.00 0.00 N ATOM 397 CA GLY A 27 -8.834 -11.695 -1.978 1.00 0.00 C ATOM 398 C GLY A 27 -8.156 -11.117 -0.761 1.00 0.00 C ATOM 399 O GLY A 27 -8.779 -10.909 0.284 1.00 0.00 O ATOM 0 H GLY A 27 -7.886 -10.703 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.757 -11.150 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.111 -12.731 -1.785 1.00 0.00 H new ATOM 403 N SER A 28 -6.869 -10.857 -0.892 1.00 0.00 N ATOM 404 CA SER A 28 -6.091 -10.275 0.173 1.00 0.00 C ATOM 405 C SER A 28 -6.349 -8.779 0.247 1.00 0.00 C ATOM 406 O SER A 28 -6.082 -8.042 -0.703 1.00 0.00 O ATOM 407 CB SER A 28 -4.604 -10.540 -0.056 1.00 0.00 C ATOM 408 OG SER A 28 -4.311 -11.929 -0.002 1.00 0.00 O ATOM 0 H SER A 28 -6.338 -11.045 -1.742 1.00 0.00 H new ATOM 0 HA SER A 28 -6.388 -10.732 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.307 -10.141 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.019 -10.013 0.698 1.00 0.00 H new ATOM 0 HG SER A 28 -4.810 -12.396 -0.704 1.00 0.00 H new ATOM 414 N VAL A 29 -6.900 -8.330 1.352 1.00 0.00 N ATOM 415 CA VAL A 29 -7.182 -6.928 1.529 1.00 0.00 C ATOM 416 C VAL A 29 -6.919 -6.485 2.975 1.00 0.00 C ATOM 417 O VAL A 29 -7.309 -7.157 3.932 1.00 0.00 O ATOM 418 CB VAL A 29 -8.629 -6.580 1.083 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.651 -7.475 1.748 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.945 -5.125 1.337 1.00 0.00 C ATOM 0 H VAL A 29 -7.162 -8.919 2.142 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.500 -6.372 0.886 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.685 -6.757 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.650 -7.200 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.452 -8.514 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.589 -7.357 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.964 -4.912 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.849 -4.912 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.250 -4.499 0.778 1.00 0.00 H new ATOM 430 N VAL A 30 -6.261 -5.335 3.119 1.00 0.00 N ATOM 431 CA VAL A 30 -5.861 -4.796 4.426 1.00 0.00 C ATOM 432 C VAL A 30 -5.950 -3.269 4.392 1.00 0.00 C ATOM 433 O VAL A 30 -5.808 -2.661 3.332 1.00 0.00 O ATOM 434 CB VAL A 30 -4.404 -5.208 4.814 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.075 -4.779 6.241 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.186 -6.703 4.655 1.00 0.00 C ATOM 0 H VAL A 30 -5.988 -4.746 2.332 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.538 -5.210 5.173 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.731 -4.692 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.056 -5.078 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.166 -3.696 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.769 -5.256 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.162 -6.953 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.880 -7.242 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.359 -6.988 3.617 1.00 0.00 H new ATOM 446 N GLN A 31 -6.191 -2.646 5.535 1.00 0.00 N ATOM 447 CA GLN A 31 -6.319 -1.208 5.603 1.00 0.00 C ATOM 448 C GLN A 31 -5.105 -0.613 6.328 1.00 0.00 C ATOM 449 O GLN A 31 -4.662 -1.134 7.357 1.00 0.00 O ATOM 450 CB GLN A 31 -7.627 -0.865 6.306 1.00 0.00 C ATOM 451 CG GLN A 31 -8.096 0.565 6.146 1.00 0.00 C ATOM 452 CD GLN A 31 -7.486 1.496 7.163 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.522 2.186 6.890 1.00 0.00 O ATOM 454 NE2 GLN A 31 -8.015 1.467 8.357 1.00 0.00 N ATOM 0 H GLN A 31 -6.302 -3.122 6.430 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.343 -0.777 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.406 -1.529 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.514 -1.075 7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.847 0.915 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.182 0.599 6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.824 0.874 8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.619 2.038 9.104 1.00 0.00 H new ATOM 463 N PHE A 32 -4.569 0.471 5.787 1.00 0.00 N ATOM 464 CA PHE A 32 -3.344 1.096 6.325 1.00 0.00 C ATOM 465 C PHE A 32 -3.520 2.598 6.483 1.00 0.00 C ATOM 466 O PHE A 32 -3.974 3.277 5.578 1.00 0.00 O ATOM 467 CB PHE A 32 -2.154 0.851 5.387 1.00 0.00 C ATOM 468 CG PHE A 32 -1.996 -0.570 4.943 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.763 -1.066 3.908 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.085 -1.407 5.557 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.630 -2.364 3.493 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.946 -2.712 5.144 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.721 -3.191 4.110 1.00 0.00 C ATOM 0 H PHE A 32 -4.956 0.947 4.972 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.154 0.644 7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.266 1.483 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.240 1.165 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.478 -0.421 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.477 -1.034 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.238 -2.738 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.231 -3.360 5.629 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.614 -4.215 3.784 1.00 0.00 H new ATOM 483 N LYS A 33 -3.134 3.125 7.616 1.00 0.00 N ATOM 484 CA LYS A 33 -3.251 4.548 7.864 1.00 0.00 C ATOM 485 C LYS A 33 -1.893 5.217 7.835 1.00 0.00 C ATOM 486 O LYS A 33 -1.082 5.053 8.749 1.00 0.00 O ATOM 487 CB LYS A 33 -3.948 4.797 9.193 1.00 0.00 C ATOM 488 CG LYS A 33 -5.437 4.528 9.141 1.00 0.00 C ATOM 489 CD LYS A 33 -6.055 4.467 10.522 1.00 0.00 C ATOM 490 CE LYS A 33 -5.930 5.788 11.250 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.627 5.768 12.559 1.00 0.00 N ATOM 0 H LYS A 33 -2.734 2.592 8.388 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.855 4.986 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.497 4.164 9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.782 5.831 9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.926 5.310 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.617 3.586 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.107 4.196 10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.569 3.683 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.876 6.019 11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.344 6.584 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.517 6.691 13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.638 5.573 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.216 5.026 13.160 1.00 0.00 H new ATOM 505 N ILE A 34 -1.637 5.975 6.787 1.00 0.00 N ATOM 506 CA ILE A 34 -0.368 6.664 6.646 1.00 0.00 C ATOM 507 C ILE A 34 -0.587 8.158 6.528 1.00 0.00 C ATOM 508 O ILE A 34 -1.721 8.632 6.429 1.00 0.00 O ATOM 509 CB ILE A 34 0.448 6.168 5.423 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.318 6.409 4.123 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.801 4.690 5.576 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.487 6.112 2.876 1.00 0.00 C ATOM 0 H ILE A 34 -2.291 6.130 6.020 1.00 0.00 H new ATOM 0 HA ILE A 34 0.208 6.440 7.544 1.00 0.00 H new ATOM 0 HB ILE A 34 1.375 6.739 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.215 5.790 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.647 7.448 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.373 4.361 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.397 4.550 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.114 4.103 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.123 6.307 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.371 6.749 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.794 5.066 2.881 1.00 0.00 H new ATOM 524 N LYS A 35 0.487 8.907 6.534 1.00 0.00 N ATOM 525 CA LYS A 35 0.407 10.343 6.464 1.00 0.00 C ATOM 526 C LYS A 35 0.214 10.790 5.011 1.00 0.00 C ATOM 527 O LYS A 35 0.668 10.125 4.086 1.00 0.00 O ATOM 528 CB LYS A 35 1.683 10.946 7.058 1.00 0.00 C ATOM 529 CG LYS A 35 1.478 12.250 7.796 1.00 0.00 C ATOM 530 CD LYS A 35 1.554 13.458 6.878 1.00 0.00 C ATOM 531 CE LYS A 35 1.366 14.734 7.673 1.00 0.00 C ATOM 532 NZ LYS A 35 1.435 15.953 6.827 1.00 0.00 N ATOM 0 H LYS A 35 1.437 8.540 6.587 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.450 10.693 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.127 10.223 7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.401 11.107 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.507 12.235 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.232 12.344 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.518 13.477 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.788 13.386 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.401 14.703 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.131 14.791 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.183 16.786 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.401 16.065 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.769 15.863 6.033 1.00 0.00 H new ATOM 546 N ARG A 36 -0.455 11.926 4.815 1.00 0.00 N ATOM 547 CA ARG A 36 -0.726 12.472 3.478 1.00 0.00 C ATOM 548 C ARG A 36 0.574 12.727 2.685 1.00 0.00 C ATOM 549 O ARG A 36 0.564 12.796 1.459 1.00 0.00 O ATOM 550 CB ARG A 36 -1.538 13.774 3.608 1.00 0.00 C ATOM 551 CG ARG A 36 -1.825 14.487 2.294 1.00 0.00 C ATOM 552 CD ARG A 36 -2.782 13.700 1.415 1.00 0.00 C ATOM 553 NE ARG A 36 -4.143 13.681 1.957 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.251 13.701 1.209 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.162 13.763 -0.115 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.445 13.677 1.793 1.00 0.00 N ATOM 0 H ARG A 36 -0.826 12.496 5.575 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.303 11.733 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.486 13.546 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.999 14.457 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.248 15.470 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.890 14.648 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.797 14.136 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.420 12.677 1.311 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.252 13.651 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.247 13.795 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.009 13.778 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.515 13.643 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.291 13.692 1.224 1.00 0.00 H new ATOM 570 N HIS A 37 1.693 12.849 3.383 1.00 0.00 N ATOM 571 CA HIS A 37 2.977 13.101 2.730 1.00 0.00 C ATOM 572 C HIS A 37 3.873 11.868 2.791 1.00 0.00 C ATOM 573 O HIS A 37 5.019 11.893 2.350 1.00 0.00 O ATOM 574 CB HIS A 37 3.688 14.300 3.365 1.00 0.00 C ATOM 575 CG HIS A 37 3.251 15.630 2.820 1.00 0.00 C ATOM 576 ND1 HIS A 37 4.124 16.531 2.262 1.00 0.00 N ATOM 577 CD2 HIS A 37 2.027 16.208 2.754 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.464 17.604 1.875 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.188 17.435 2.161 1.00 0.00 N ATOM 0 H HIS A 37 1.742 12.778 4.399 1.00 0.00 H new ATOM 0 HA HIS A 37 2.775 13.331 1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.513 14.285 4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.762 14.193 3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.098 15.782 3.103 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.895 18.475 1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.443 18.106 1.972 1.00 0.00 H new ATOM 588 N THR A 38 3.351 10.794 3.350 1.00 0.00 N ATOM 589 CA THR A 38 4.077 9.549 3.459 1.00 0.00 C ATOM 590 C THR A 38 3.917 8.711 2.182 1.00 0.00 C ATOM 591 O THR A 38 2.815 8.559 1.674 1.00 0.00 O ATOM 592 CB THR A 38 3.588 8.752 4.693 1.00 0.00 C ATOM 593 OG1 THR A 38 4.073 9.376 5.891 1.00 0.00 O ATOM 594 CG2 THR A 38 4.048 7.307 4.642 1.00 0.00 C ATOM 0 H THR A 38 2.410 10.762 3.741 1.00 0.00 H new ATOM 0 HA THR A 38 5.135 9.777 3.585 1.00 0.00 H new ATOM 0 HB THR A 38 2.498 8.755 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.762 8.872 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.686 6.779 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.652 6.830 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.137 7.272 4.620 1.00 0.00 H new ATOM 602 N PRO A 39 5.031 8.169 1.647 1.00 0.00 N ATOM 603 CA PRO A 39 5.011 7.362 0.420 1.00 0.00 C ATOM 604 C PRO A 39 4.258 6.045 0.602 1.00 0.00 C ATOM 605 O PRO A 39 4.279 5.438 1.685 1.00 0.00 O ATOM 606 CB PRO A 39 6.496 7.100 0.137 1.00 0.00 C ATOM 607 CG PRO A 39 7.164 7.244 1.460 1.00 0.00 C ATOM 608 CD PRO A 39 6.391 8.296 2.201 1.00 0.00 C ATOM 0 HA PRO A 39 4.495 7.872 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.650 6.104 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.893 7.812 -0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.159 6.300 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.207 7.538 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.405 8.123 3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.803 9.291 2.033 1.00 0.00 H new ATOM 616 N LEU A 40 3.596 5.595 -0.459 1.00 0.00 N ATOM 617 CA LEU A 40 2.808 4.370 -0.425 1.00 0.00 C ATOM 618 C LEU A 40 3.679 3.139 -0.217 1.00 0.00 C ATOM 619 O LEU A 40 3.182 2.074 0.142 1.00 0.00 O ATOM 620 CB LEU A 40 1.978 4.217 -1.698 1.00 0.00 C ATOM 621 CG LEU A 40 0.995 5.354 -2.003 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.067 4.960 -3.130 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.196 5.733 -0.766 1.00 0.00 C ATOM 0 H LEU A 40 3.591 6.068 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 40 2.134 4.451 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.660 4.117 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.415 3.286 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 40 1.572 6.226 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.625 5.777 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.652 4.747 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.496 4.071 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.493 6.541 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.369 4.868 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.876 6.062 0.020 1.00 0.00 H new ATOM 635 N SER A 41 4.982 3.285 -0.445 1.00 0.00 N ATOM 636 CA SER A 41 5.939 2.195 -0.287 1.00 0.00 C ATOM 637 C SER A 41 5.779 1.508 1.061 1.00 0.00 C ATOM 638 O SER A 41 5.904 0.282 1.165 1.00 0.00 O ATOM 639 CB SER A 41 7.359 2.739 -0.422 1.00 0.00 C ATOM 640 OG SER A 41 7.568 3.816 0.478 1.00 0.00 O ATOM 0 H SER A 41 5.404 4.164 -0.745 1.00 0.00 H new ATOM 0 HA SER A 41 5.748 1.458 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.079 1.945 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.530 3.074 -1.445 1.00 0.00 H new ATOM 0 HG SER A 41 8.483 4.152 0.380 1.00 0.00 H new ATOM 646 N LYS A 42 5.492 2.298 2.092 1.00 0.00 N ATOM 647 CA LYS A 42 5.305 1.779 3.435 1.00 0.00 C ATOM 648 C LYS A 42 4.201 0.735 3.470 1.00 0.00 C ATOM 649 O LYS A 42 4.408 -0.380 3.942 1.00 0.00 O ATOM 650 CB LYS A 42 4.982 2.918 4.407 1.00 0.00 C ATOM 651 CG LYS A 42 6.037 4.029 4.477 1.00 0.00 C ATOM 652 CD LYS A 42 7.406 3.507 4.916 1.00 0.00 C ATOM 653 CE LYS A 42 8.262 3.078 3.727 1.00 0.00 C ATOM 654 NZ LYS A 42 9.545 2.473 4.154 1.00 0.00 N ATOM 0 H LYS A 42 5.384 3.309 2.017 1.00 0.00 H new ATOM 0 HA LYS A 42 6.236 1.302 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.028 3.361 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.851 2.498 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.128 4.502 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.704 4.799 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.927 4.283 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.272 2.661 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.707 2.361 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.462 3.943 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.094 2.196 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.087 3.165 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.356 1.633 4.737 1.00 0.00 H new ATOM 668 N LEU A 43 3.031 1.083 2.947 1.00 0.00 N ATOM 669 CA LEU A 43 1.915 0.155 2.943 1.00 0.00 C ATOM 670 C LEU A 43 2.100 -0.925 1.897 1.00 0.00 C ATOM 671 O LEU A 43 1.652 -2.048 2.074 1.00 0.00 O ATOM 672 CB LEU A 43 0.547 0.872 2.796 1.00 0.00 C ATOM 673 CG LEU A 43 0.306 1.748 1.547 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.056 0.905 0.304 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.871 2.664 1.786 1.00 0.00 C ATOM 0 H LEU A 43 2.835 1.991 2.526 1.00 0.00 H new ATOM 0 HA LEU A 43 1.903 -0.330 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.232 0.110 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.406 1.501 3.675 1.00 0.00 H new ATOM 0 HG LEU A 43 1.207 2.337 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.109 1.559 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.922 0.271 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.824 0.281 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.038 3.280 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.761 2.068 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.664 3.306 2.642 1.00 0.00 H new ATOM 687 N MET A 44 2.762 -0.581 0.797 1.00 0.00 N ATOM 688 CA MET A 44 2.997 -1.534 -0.277 1.00 0.00 C ATOM 689 C MET A 44 3.785 -2.740 0.209 1.00 0.00 C ATOM 690 O MET A 44 3.350 -3.882 0.055 1.00 0.00 O ATOM 691 CB MET A 44 3.730 -0.878 -1.435 1.00 0.00 C ATOM 692 CG MET A 44 2.873 0.050 -2.264 1.00 0.00 C ATOM 693 SD MET A 44 3.719 0.607 -3.747 1.00 0.00 S ATOM 694 CE MET A 44 2.489 1.704 -4.438 1.00 0.00 C ATOM 0 H MET A 44 3.144 0.350 0.628 1.00 0.00 H new ATOM 0 HA MET A 44 2.021 -1.875 -0.621 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.578 -0.317 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.134 -1.656 -2.082 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.952 -0.461 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.589 0.914 -1.663 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.318 1.447 -5.483 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.557 1.602 -3.882 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.841 2.733 -4.371 1.00 0.00 H new ATOM 704 N LYS A 45 4.946 -2.495 0.812 1.00 0.00 N ATOM 705 CA LYS A 45 5.756 -3.584 1.329 1.00 0.00 C ATOM 706 C LYS A 45 5.030 -4.269 2.484 1.00 0.00 C ATOM 707 O LYS A 45 5.000 -5.493 2.575 1.00 0.00 O ATOM 708 CB LYS A 45 7.118 -3.085 1.829 1.00 0.00 C ATOM 709 CG LYS A 45 7.904 -2.229 0.851 1.00 0.00 C ATOM 710 CD LYS A 45 8.265 -2.990 -0.408 1.00 0.00 C ATOM 711 CE LYS A 45 9.353 -2.275 -1.196 1.00 0.00 C ATOM 712 NZ LYS A 45 9.065 -0.829 -1.366 1.00 0.00 N ATOM 0 H LYS A 45 5.339 -1.564 0.951 1.00 0.00 H new ATOM 0 HA LYS A 45 5.920 -4.288 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.961 -2.511 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.725 -3.950 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.317 -1.349 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.815 -1.872 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.603 -3.992 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.379 -3.106 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.308 -2.396 -0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.455 -2.741 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.748 -0.415 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.101 -0.708 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.144 -0.349 -0.447 1.00 0.00 H new ATOM 726 N ALA A 46 4.403 -3.459 3.342 1.00 0.00 N ATOM 727 CA ALA A 46 3.711 -3.958 4.533 1.00 0.00 C ATOM 728 C ALA A 46 2.600 -4.926 4.163 1.00 0.00 C ATOM 729 O ALA A 46 2.479 -6.002 4.746 1.00 0.00 O ATOM 730 CB ALA A 46 3.150 -2.802 5.341 1.00 0.00 C ATOM 0 H ALA A 46 4.361 -2.446 3.232 1.00 0.00 H new ATOM 0 HA ALA A 46 4.439 -4.497 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.639 -3.189 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.964 -2.146 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.444 -2.240 4.730 1.00 0.00 H new ATOM 736 N TYR A 47 1.787 -4.538 3.191 1.00 0.00 N ATOM 737 CA TYR A 47 0.698 -5.369 2.699 1.00 0.00 C ATOM 738 C TYR A 47 1.216 -6.734 2.276 1.00 0.00 C ATOM 739 O TYR A 47 0.696 -7.763 2.692 1.00 0.00 O ATOM 740 CB TYR A 47 -0.012 -4.667 1.521 1.00 0.00 C ATOM 741 CG TYR A 47 -0.905 -5.566 0.681 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.389 -6.258 -0.412 1.00 0.00 C ATOM 743 CD2 TYR A 47 -2.258 -5.712 0.970 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.190 -7.067 -1.188 1.00 0.00 C ATOM 745 CE2 TYR A 47 -3.068 -6.519 0.195 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.525 -7.196 -0.887 1.00 0.00 C ATOM 747 OH TYR A 47 -3.320 -8.003 -1.670 1.00 0.00 O ATOM 0 H TYR A 47 1.864 -3.636 2.720 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.022 -5.515 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.614 -3.848 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.744 -4.223 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.658 -6.159 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.681 -5.186 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.770 -7.598 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.117 -6.622 0.430 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.238 -7.990 -1.327 1.00 0.00 H new ATOM 757 N CYS A 48 2.257 -6.743 1.479 1.00 0.00 N ATOM 758 CA CYS A 48 2.822 -7.979 0.982 1.00 0.00 C ATOM 759 C CYS A 48 3.436 -8.813 2.099 1.00 0.00 C ATOM 760 O CYS A 48 3.364 -10.038 2.074 1.00 0.00 O ATOM 761 CB CYS A 48 3.838 -7.681 -0.094 1.00 0.00 C ATOM 762 SG CYS A 48 3.128 -6.840 -1.506 1.00 0.00 S ATOM 0 H CYS A 48 2.735 -5.902 1.157 1.00 0.00 H new ATOM 0 HA CYS A 48 2.015 -8.573 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.635 -7.067 0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.295 -8.614 -0.425 1.00 0.00 H new ATOM 0 HG CYS A 48 3.898 -5.853 -1.855 1.00 0.00 H new ATOM 768 N GLU A 49 4.022 -8.151 3.087 1.00 0.00 N ATOM 769 CA GLU A 49 4.615 -8.837 4.226 1.00 0.00 C ATOM 770 C GLU A 49 3.568 -9.641 4.990 1.00 0.00 C ATOM 771 O GLU A 49 3.791 -10.794 5.353 1.00 0.00 O ATOM 772 CB GLU A 49 5.273 -7.832 5.171 1.00 0.00 C ATOM 773 CG GLU A 49 6.503 -7.160 4.609 1.00 0.00 C ATOM 774 CD GLU A 49 7.194 -6.292 5.631 1.00 0.00 C ATOM 775 OE1 GLU A 49 6.506 -5.747 6.525 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.433 -6.166 5.567 1.00 0.00 O ATOM 0 H GLU A 49 4.099 -7.135 3.122 1.00 0.00 H new ATOM 0 HA GLU A 49 5.371 -9.522 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.543 -7.066 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.543 -8.344 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.198 -7.919 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.222 -6.552 3.749 1.00 0.00 H new ATOM 783 N ARG A 50 2.417 -9.035 5.219 1.00 0.00 N ATOM 784 CA ARG A 50 1.356 -9.678 5.977 1.00 0.00 C ATOM 785 C ARG A 50 0.474 -10.568 5.106 1.00 0.00 C ATOM 786 O ARG A 50 -0.098 -11.536 5.586 1.00 0.00 O ATOM 787 CB ARG A 50 0.504 -8.630 6.710 1.00 0.00 C ATOM 788 CG ARG A 50 0.128 -7.427 5.859 1.00 0.00 C ATOM 789 CD ARG A 50 -0.676 -6.404 6.645 1.00 0.00 C ATOM 790 NE ARG A 50 -0.152 -6.203 8.004 1.00 0.00 N ATOM 791 CZ ARG A 50 0.573 -5.150 8.395 1.00 0.00 C ATOM 792 NH1 ARG A 50 0.952 -4.236 7.517 1.00 0.00 N ATOM 793 NH2 ARG A 50 0.938 -5.030 9.663 1.00 0.00 N ATOM 0 H ARG A 50 2.192 -8.096 4.890 1.00 0.00 H new ATOM 0 HA ARG A 50 1.837 -10.324 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.408 -9.106 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.050 -8.284 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.033 -6.958 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.451 -7.759 4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.669 -5.453 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.715 -6.729 6.704 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.357 -6.920 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.691 -4.332 6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.505 -3.435 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.666 -5.741 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.491 -4.226 9.961 1.00 0.00 H new ATOM 807 N GLN A 51 0.354 -10.250 3.826 1.00 0.00 N ATOM 808 CA GLN A 51 -0.507 -11.034 2.939 1.00 0.00 C ATOM 809 C GLN A 51 0.244 -12.168 2.267 1.00 0.00 C ATOM 810 O GLN A 51 -0.354 -13.125 1.788 1.00 0.00 O ATOM 811 CB GLN A 51 -1.189 -10.142 1.904 1.00 0.00 C ATOM 812 CG GLN A 51 -2.139 -9.138 2.527 1.00 0.00 C ATOM 813 CD GLN A 51 -3.098 -9.790 3.502 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.190 -10.210 3.134 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.682 -9.890 4.749 1.00 0.00 N ATOM 0 H GLN A 51 0.832 -9.468 3.379 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.279 -11.485 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.429 -9.610 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.738 -10.766 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.565 -8.369 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.706 -8.639 1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.766 -9.527 5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.276 -10.331 5.451 1.00 0.00 H new ATOM 824 N GLY A 52 1.549 -12.074 2.248 1.00 0.00 N ATOM 825 CA GLY A 52 2.356 -13.108 1.628 1.00 0.00 C ATOM 826 C GLY A 52 2.442 -12.960 0.119 1.00 0.00 C ATOM 827 O GLY A 52 2.376 -13.943 -0.617 1.00 0.00 O ATOM 0 H GLY A 52 2.078 -11.300 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.361 -13.080 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.936 -14.084 1.870 1.00 0.00 H new ATOM 831 N LEU A 53 2.601 -11.736 -0.351 1.00 0.00 N ATOM 832 CA LEU A 53 2.708 -11.470 -1.784 1.00 0.00 C ATOM 833 C LEU A 53 4.091 -10.946 -2.134 1.00 0.00 C ATOM 834 O LEU A 53 4.769 -10.353 -1.303 1.00 0.00 O ATOM 835 CB LEU A 53 1.641 -10.462 -2.258 1.00 0.00 C ATOM 836 CG LEU A 53 0.251 -11.024 -2.619 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.361 -12.194 -3.584 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.526 -11.417 -1.379 1.00 0.00 C ATOM 0 H LEU A 53 2.660 -10.904 0.237 1.00 0.00 H new ATOM 0 HA LEU A 53 2.540 -12.417 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.510 -9.715 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.032 -9.942 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.301 -10.228 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.636 -12.567 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.850 -11.865 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.948 -12.990 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.501 -11.809 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.025 -12.182 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.662 -10.543 -0.742 1.00 0.00 H new ATOM 850 N SER A 54 4.512 -11.170 -3.362 1.00 0.00 N ATOM 851 CA SER A 54 5.790 -10.694 -3.835 1.00 0.00 C ATOM 852 C SER A 54 5.626 -9.363 -4.568 1.00 0.00 C ATOM 853 O SER A 54 4.869 -9.266 -5.539 1.00 0.00 O ATOM 854 CB SER A 54 6.416 -11.739 -4.753 1.00 0.00 C ATOM 855 OG SER A 54 6.733 -12.920 -4.037 1.00 0.00 O ATOM 0 H SER A 54 3.976 -11.688 -4.058 1.00 0.00 H new ATOM 0 HA SER A 54 6.449 -10.531 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.727 -11.975 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.319 -11.333 -5.210 1.00 0.00 H new ATOM 0 HG SER A 54 7.131 -13.575 -4.647 1.00 0.00 H new ATOM 861 N MET A 55 6.355 -8.346 -4.116 1.00 0.00 N ATOM 862 CA MET A 55 6.269 -6.989 -4.678 1.00 0.00 C ATOM 863 C MET A 55 6.633 -6.947 -6.167 1.00 0.00 C ATOM 864 O MET A 55 6.199 -6.059 -6.899 1.00 0.00 O ATOM 865 CB MET A 55 7.170 -6.024 -3.880 1.00 0.00 C ATOM 866 CG MET A 55 6.640 -5.681 -2.501 1.00 0.00 C ATOM 867 SD MET A 55 5.108 -4.727 -2.567 1.00 0.00 S ATOM 868 CE MET A 55 5.665 -3.185 -3.277 1.00 0.00 C ATOM 0 H MET A 55 7.023 -8.433 -3.350 1.00 0.00 H new ATOM 0 HA MET A 55 5.230 -6.671 -4.593 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.160 -6.469 -3.777 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.293 -5.103 -4.450 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.468 -6.601 -1.942 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.394 -5.114 -1.956 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.916 -2.815 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.814 -2.452 -2.484 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.606 -3.346 -3.804 1.00 0.00 H new ATOM 878 N ARG A 56 7.435 -7.901 -6.617 1.00 0.00 N ATOM 879 CA ARG A 56 7.847 -7.942 -8.021 1.00 0.00 C ATOM 880 C ARG A 56 6.806 -8.651 -8.880 1.00 0.00 C ATOM 881 O ARG A 56 6.660 -8.371 -10.064 1.00 0.00 O ATOM 882 CB ARG A 56 9.209 -8.623 -8.183 1.00 0.00 C ATOM 883 CG ARG A 56 10.275 -8.089 -7.248 1.00 0.00 C ATOM 884 CD ARG A 56 10.394 -8.954 -6.009 1.00 0.00 C ATOM 885 NE ARG A 56 11.245 -10.120 -6.238 1.00 0.00 N ATOM 886 CZ ARG A 56 11.893 -10.777 -5.270 1.00 0.00 C ATOM 887 NH1 ARG A 56 11.761 -10.397 -4.002 1.00 0.00 N ATOM 888 NH2 ARG A 56 12.661 -11.819 -5.572 1.00 0.00 N ATOM 0 H ARG A 56 7.813 -8.653 -6.040 1.00 0.00 H new ATOM 0 HA ARG A 56 7.935 -6.910 -8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.092 -9.693 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.546 -8.499 -9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.234 -8.055 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.032 -7.066 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.803 -8.361 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.402 -9.284 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 56 11.351 -10.454 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.165 -9.603 -3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.256 -10.899 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.756 -12.118 -6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.155 -12.320 -4.833 1.00 0.00 H new ATOM 902 N GLN A 57 6.077 -9.576 -8.271 1.00 0.00 N ATOM 903 CA GLN A 57 5.066 -10.341 -8.987 1.00 0.00 C ATOM 904 C GLN A 57 3.770 -9.570 -9.070 1.00 0.00 C ATOM 905 O GLN A 57 3.093 -9.568 -10.102 1.00 0.00 O ATOM 906 CB GLN A 57 4.819 -11.697 -8.313 1.00 0.00 C ATOM 907 CG GLN A 57 5.677 -12.846 -8.841 1.00 0.00 C ATOM 908 CD GLN A 57 7.034 -12.976 -8.172 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.653 -11.869 -7.843 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 7.542 -14.079 -8.003 1.00 0.00 N flip ATOM 0 H GLN A 57 6.167 -9.815 -7.283 1.00 0.00 H new ATOM 0 HA GLN A 57 5.440 -10.516 -9.996 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.998 -11.592 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.769 -11.961 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.131 -13.780 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.825 -12.710 -9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.033 -14.921 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.474 -14.154 -7.595 1.00 0.00 H new ATOM 919 N ILE A 58 3.407 -8.915 -7.989 1.00 0.00 N ATOM 920 CA ILE A 58 2.179 -8.159 -7.952 1.00 0.00 C ATOM 921 C ILE A 58 2.414 -6.721 -8.381 1.00 0.00 C ATOM 922 O ILE A 58 3.540 -6.320 -8.670 1.00 0.00 O ATOM 923 CB ILE A 58 1.562 -8.158 -6.535 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.340 -7.218 -5.609 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.566 -9.567 -5.964 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.629 -6.929 -4.316 1.00 0.00 C ATOM 0 H ILE A 58 3.947 -8.892 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 58 1.489 -8.641 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 58 0.534 -7.803 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.312 -7.659 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.526 -6.279 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.129 -9.556 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.981 -10.223 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.591 -9.934 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.236 -6.257 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.668 -6.459 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.466 -7.861 -3.774 1.00 0.00 H new ATOM 938 N ARG A 59 1.349 -5.949 -8.422 1.00 0.00 N ATOM 939 CA ARG A 59 1.442 -4.549 -8.761 1.00 0.00 C ATOM 940 C ARG A 59 0.274 -3.801 -8.173 1.00 0.00 C ATOM 941 O ARG A 59 -0.850 -4.316 -8.112 1.00 0.00 O ATOM 942 CB ARG A 59 1.492 -4.334 -10.276 1.00 0.00 C ATOM 943 CG ARG A 59 1.826 -2.900 -10.681 1.00 0.00 C ATOM 944 CD ARG A 59 3.257 -2.539 -10.305 1.00 0.00 C ATOM 945 NE ARG A 59 3.561 -1.129 -10.572 1.00 0.00 N ATOM 946 CZ ARG A 59 4.791 -0.604 -10.526 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.839 -1.376 -10.244 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.974 0.693 -10.769 1.00 0.00 N ATOM 0 H ARG A 59 0.402 -6.273 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 59 2.372 -4.165 -8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.235 -5.006 -10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.528 -4.608 -10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.689 -2.782 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.135 -2.212 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.417 -2.750 -9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.948 -3.170 -10.864 1.00 0.00 H new ATOM 0 HE ARG A 59 2.786 -0.509 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.705 -2.371 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.775 -0.972 -10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.176 1.288 -10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.912 1.091 -10.733 1.00 0.00 H new ATOM 962 N PHE A 60 0.538 -2.602 -7.722 1.00 0.00 N ATOM 963 CA PHE A 60 -0.473 -1.751 -7.156 1.00 0.00 C ATOM 964 C PHE A 60 -1.067 -0.854 -8.236 1.00 0.00 C ATOM 965 O PHE A 60 -0.346 -0.307 -9.080 1.00 0.00 O ATOM 966 CB PHE A 60 0.129 -0.907 -6.029 1.00 0.00 C ATOM 967 CG PHE A 60 0.243 -1.621 -4.707 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.920 -2.826 -4.598 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.330 -1.079 -3.570 1.00 0.00 C ATOM 970 CE1 PHE A 60 1.014 -3.473 -3.381 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.236 -1.719 -2.358 1.00 0.00 C ATOM 972 CZ PHE A 60 0.433 -2.917 -2.259 1.00 0.00 C ATOM 0 H PHE A 60 1.469 -2.186 -7.738 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.270 -2.369 -6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.120 -0.571 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.482 -0.015 -5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.378 -3.263 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.859 -0.140 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.541 -4.413 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.688 -1.281 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.503 -3.421 -1.306 1.00 0.00 H new ATOM 982 N ARG A 61 -2.370 -0.710 -8.220 1.00 0.00 N ATOM 983 CA ARG A 61 -3.065 0.104 -9.192 1.00 0.00 C ATOM 984 C ARG A 61 -4.190 0.871 -8.519 1.00 0.00 C ATOM 985 O ARG A 61 -4.939 0.323 -7.724 1.00 0.00 O ATOM 986 CB ARG A 61 -3.608 -0.779 -10.323 1.00 0.00 C ATOM 987 CG ARG A 61 -4.417 -0.038 -11.375 1.00 0.00 C ATOM 988 CD ARG A 61 -4.898 -0.981 -12.470 1.00 0.00 C ATOM 989 NE ARG A 61 -3.785 -1.621 -13.187 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.910 -2.720 -13.953 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.103 -3.285 -14.128 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.846 -3.250 -14.538 1.00 0.00 N ATOM 0 H ARG A 61 -2.980 -1.153 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.368 0.823 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.770 -1.276 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.232 -1.560 -9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.274 0.444 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.809 0.752 -11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.533 -1.750 -12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.513 -0.427 -13.179 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.858 -1.205 -13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.927 -2.885 -13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.192 -4.118 -14.710 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.928 -2.825 -14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.945 -4.083 -15.118 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.302 2.135 -8.826 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.316 2.973 -8.228 1.00 0.00 C ATOM 1008 C PHE A 62 -5.825 3.966 -9.242 1.00 0.00 C ATOM 1009 O PHE A 62 -5.042 4.543 -9.990 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.737 3.717 -7.014 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.696 4.677 -6.360 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.559 4.248 -5.373 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.724 6.013 -6.731 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.434 5.126 -4.767 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.598 6.898 -6.131 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.453 6.454 -5.148 1.00 0.00 C ATOM 0 H PHE A 62 -3.698 2.615 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.143 2.345 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.413 2.985 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.849 4.266 -7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.550 3.211 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.053 6.366 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.104 4.775 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.611 7.935 -6.432 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.138 7.143 -4.675 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.146 4.143 -9.304 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.770 5.131 -10.193 1.00 0.00 C ATOM 1028 C ASP A 63 -7.622 4.728 -11.646 1.00 0.00 C ATOM 1029 O ASP A 63 -7.644 5.562 -12.550 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.175 6.517 -9.968 1.00 0.00 C ATOM 1031 CG ASP A 63 -8.230 7.593 -9.951 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.177 7.488 -9.139 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -8.119 8.555 -10.731 1.00 0.00 O ATOM 0 H ASP A 63 -7.812 3.610 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.833 5.166 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.632 6.528 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.452 6.732 -10.754 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.498 3.436 -11.877 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.344 2.936 -13.222 1.00 0.00 C ATOM 1040 C GLY A 64 -5.919 2.999 -13.718 1.00 0.00 C ATOM 1041 O GLY A 64 -5.608 2.483 -14.788 1.00 0.00 O ATOM 0 H GLY A 64 -7.501 2.719 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.691 1.903 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.982 3.512 -13.893 1.00 0.00 H new ATOM 1045 N GLN A 65 -5.038 3.603 -12.945 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.650 3.726 -13.348 1.00 0.00 C ATOM 1047 C GLN A 65 -2.741 3.006 -12.360 1.00 0.00 C ATOM 1048 O GLN A 65 -3.005 2.995 -11.158 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.248 5.198 -13.465 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.524 6.004 -12.215 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.900 7.377 -12.243 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.733 7.983 -13.303 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.543 7.872 -11.081 1.00 0.00 N ATOM 0 H GLN A 65 -5.257 4.015 -12.038 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.538 3.260 -14.327 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.185 5.258 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.784 5.647 -14.302 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.602 6.104 -12.086 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.149 5.459 -11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.700 7.335 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.108 8.793 -11.031 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.680 2.362 -12.852 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.720 1.685 -11.994 1.00 0.00 C ATOM 1064 C PRO A 66 0.096 2.687 -11.186 1.00 0.00 C ATOM 1065 O PRO A 66 0.487 3.745 -11.691 1.00 0.00 O ATOM 1066 CB PRO A 66 0.172 0.920 -12.977 1.00 0.00 C ATOM 1067 CG PRO A 66 0.051 1.668 -14.259 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.336 2.240 -14.283 1.00 0.00 C ATOM 0 HA PRO A 66 -1.198 1.034 -11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.206 0.890 -12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.157 -0.113 -13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.799 2.459 -14.320 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.214 1.008 -15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.364 3.206 -14.787 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.031 1.586 -14.809 1.00 0.00 H new ATOM 1076 N ILE A 67 0.369 2.359 -9.946 1.00 0.00 N ATOM 1077 CA ILE A 67 1.116 3.244 -9.078 1.00 0.00 C ATOM 1078 C ILE A 67 2.435 2.623 -8.681 1.00 0.00 C ATOM 1079 O ILE A 67 2.627 1.407 -8.783 1.00 0.00 O ATOM 1080 CB ILE A 67 0.318 3.644 -7.820 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.241 2.409 -7.112 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.796 4.612 -8.190 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.035 2.723 -5.864 1.00 0.00 C ATOM 0 H ILE A 67 0.084 1.481 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 67 1.307 4.153 -9.648 1.00 0.00 H new ATOM 0 HB ILE A 67 0.993 4.145 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.877 1.861 -7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.585 1.749 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.352 4.887 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.366 5.507 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.469 4.136 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.397 1.796 -5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.398 3.243 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.883 3.357 -6.122 1.00 0.00 H new ATOM 1095 N ASN A 68 3.348 3.452 -8.246 1.00 0.00 N ATOM 1096 CA ASN A 68 4.669 3.019 -7.855 1.00 0.00 C ATOM 1097 C ASN A 68 4.921 3.335 -6.411 1.00 0.00 C ATOM 1098 O ASN A 68 4.382 4.283 -5.879 1.00 0.00 O ATOM 1099 CB ASN A 68 5.752 3.675 -8.725 1.00 0.00 C ATOM 1100 CG ASN A 68 5.480 5.137 -9.088 1.00 0.00 C ATOM 1101 OD1 ASN A 68 4.851 5.880 -8.198 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 5.855 5.592 -10.166 1.00 0.00 N flip ATOM 0 H ASN A 68 3.196 4.456 -8.151 1.00 0.00 H new ATOM 0 HA ASN A 68 4.717 1.940 -8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.706 3.616 -8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.858 3.100 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.339 4.991 -10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.682 6.571 -10.394 1.00 0.00 H new ATOM 1109 N GLU A 69 5.785 2.567 -5.786 1.00 0.00 N ATOM 1110 CA GLU A 69 6.095 2.737 -4.369 1.00 0.00 C ATOM 1111 C GLU A 69 6.676 4.122 -4.070 1.00 0.00 C ATOM 1112 O GLU A 69 6.780 4.529 -2.916 1.00 0.00 O ATOM 1113 CB GLU A 69 7.060 1.650 -3.917 1.00 0.00 C ATOM 1114 CG GLU A 69 8.390 1.674 -4.639 1.00 0.00 C ATOM 1115 CD GLU A 69 9.280 0.536 -4.221 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.039 0.697 -3.253 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.212 -0.533 -4.844 1.00 0.00 O ATOM 0 H GLU A 69 6.295 1.807 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 69 5.162 2.651 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.236 1.756 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.593 0.677 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.219 1.624 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.894 2.620 -4.439 1.00 0.00 H new ATOM 1124 N THR A 70 7.040 4.849 -5.111 1.00 0.00 N ATOM 1125 CA THR A 70 7.614 6.156 -4.941 1.00 0.00 C ATOM 1126 C THR A 70 6.547 7.259 -5.028 1.00 0.00 C ATOM 1127 O THR A 70 6.870 8.448 -4.979 1.00 0.00 O ATOM 1128 CB THR A 70 8.747 6.420 -5.974 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.331 7.709 -5.751 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.223 6.350 -7.399 1.00 0.00 C ATOM 0 H THR A 70 6.945 4.549 -6.081 1.00 0.00 H new ATOM 0 HA THR A 70 8.049 6.182 -3.942 1.00 0.00 H new ATOM 0 HB THR A 70 9.501 5.645 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.648 8.322 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.039 6.539 -8.096 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.808 5.360 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.446 7.101 -7.538 1.00 0.00 H new ATOM 1138 N ASP A 71 5.273 6.884 -5.141 1.00 0.00 N ATOM 1139 CA ASP A 71 4.212 7.889 -5.226 1.00 0.00 C ATOM 1140 C ASP A 71 3.673 8.210 -3.839 1.00 0.00 C ATOM 1141 O ASP A 71 3.818 7.417 -2.891 1.00 0.00 O ATOM 1142 CB ASP A 71 3.068 7.445 -6.178 1.00 0.00 C ATOM 1143 CG ASP A 71 1.951 6.682 -5.505 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.029 7.330 -4.973 1.00 0.00 O ATOM 1145 OD2 ASP A 71 1.978 5.440 -5.547 1.00 0.00 O ATOM 0 H ASP A 71 4.954 5.916 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 71 4.647 8.794 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.649 8.329 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.491 6.824 -6.968 1.00 0.00 H new ATOM 1150 N THR A 72 3.089 9.382 -3.700 1.00 0.00 N ATOM 1151 CA THR A 72 2.529 9.810 -2.445 1.00 0.00 C ATOM 1152 C THR A 72 1.031 10.055 -2.603 1.00 0.00 C ATOM 1153 O THR A 72 0.579 10.474 -3.676 1.00 0.00 O ATOM 1154 CB THR A 72 3.211 11.106 -1.939 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.046 12.157 -2.903 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.697 10.878 -1.696 1.00 0.00 C ATOM 0 H THR A 72 2.992 10.060 -4.455 1.00 0.00 H new ATOM 0 HA THR A 72 2.701 9.021 -1.713 1.00 0.00 H new ATOM 0 HB THR A 72 2.739 11.391 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.478 12.973 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.154 11.802 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.828 10.098 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.175 10.571 -2.626 1.00 0.00 H new ATOM 1164 N PRO A 73 0.238 9.828 -1.535 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.222 9.998 -1.579 1.00 0.00 C ATOM 1166 C PRO A 73 -1.632 11.429 -1.926 1.00 0.00 C ATOM 1167 O PRO A 73 -2.766 11.688 -2.329 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.674 9.646 -0.153 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.449 9.768 0.684 1.00 0.00 C ATOM 1170 CD PRO A 73 0.695 9.392 -0.207 1.00 0.00 C ATOM 0 HA PRO A 73 -1.676 9.374 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.456 10.323 0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.084 8.637 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.333 10.784 1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.501 9.110 1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.617 9.893 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.892 8.320 -0.180 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.705 12.353 -1.783 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.969 13.751 -2.068 1.00 0.00 C ATOM 1180 C ALA A 74 -0.703 14.076 -3.531 1.00 0.00 C ATOM 1181 O ALA A 74 -1.138 15.100 -4.040 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.127 14.640 -1.170 1.00 0.00 C ATOM 0 H ALA A 74 0.246 12.160 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.023 13.941 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.335 15.686 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.370 14.438 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.930 14.435 -1.343 1.00 0.00 H new ATOM 1188 N GLN A 75 0.016 13.204 -4.212 1.00 0.00 N ATOM 1189 CA GLN A 75 0.352 13.426 -5.604 1.00 0.00 C ATOM 1190 C GLN A 75 -0.798 12.998 -6.507 1.00 0.00 C ATOM 1191 O GLN A 75 -1.313 13.782 -7.301 1.00 0.00 O ATOM 1192 CB GLN A 75 1.601 12.631 -5.953 1.00 0.00 C ATOM 1193 CG GLN A 75 2.274 13.060 -7.236 1.00 0.00 C ATOM 1194 CD GLN A 75 3.576 12.326 -7.466 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.614 11.285 -8.117 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.647 12.850 -6.909 1.00 0.00 N ATOM 0 H GLN A 75 0.379 12.334 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 75 0.536 14.489 -5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.315 12.721 -5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.336 11.576 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.603 12.879 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.463 14.133 -7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.573 13.717 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.552 12.390 -7.010 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.211 11.753 -6.364 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.287 11.208 -7.190 1.00 0.00 C ATOM 1207 C LEU A 76 -3.671 11.526 -6.613 1.00 0.00 C ATOM 1208 O LEU A 76 -4.690 11.095 -7.154 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.125 9.690 -7.388 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.598 8.788 -6.239 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.427 7.334 -6.619 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.847 9.089 -4.956 1.00 0.00 C ATOM 0 H LEU A 76 -0.823 11.096 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.213 11.694 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.668 9.405 -8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.071 9.482 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.654 8.990 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.765 6.701 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.017 7.119 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.375 7.133 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.205 8.434 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.781 8.922 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.014 10.128 -4.672 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.702 12.289 -5.517 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.952 12.681 -4.853 1.00 0.00 C ATOM 1226 C GLU A 77 -5.729 11.479 -4.314 1.00 0.00 C ATOM 1227 O GLU A 77 -6.854 11.197 -4.737 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.840 13.530 -5.775 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.359 14.959 -5.945 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.383 15.733 -4.647 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -6.485 16.131 -4.203 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -4.310 15.954 -4.059 1.00 0.00 O ATOM 0 H GLU A 77 -2.864 12.653 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.665 13.292 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.889 13.054 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.854 13.543 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.344 14.953 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.986 15.466 -6.679 1.00 0.00 H new ATOM 1239 N MET A 78 -5.126 10.763 -3.386 1.00 0.00 N ATOM 1240 CA MET A 78 -5.788 9.653 -2.752 1.00 0.00 C ATOM 1241 C MET A 78 -6.508 10.164 -1.526 1.00 0.00 C ATOM 1242 O MET A 78 -5.988 11.012 -0.804 1.00 0.00 O ATOM 1243 CB MET A 78 -4.797 8.562 -2.350 1.00 0.00 C ATOM 1244 CG MET A 78 -5.435 7.192 -2.299 1.00 0.00 C ATOM 1245 SD MET A 78 -4.271 5.860 -1.954 1.00 0.00 S ATOM 1246 CE MET A 78 -3.358 5.786 -3.484 1.00 0.00 C ATOM 0 H MET A 78 -4.176 10.935 -3.057 1.00 0.00 H new ATOM 0 HA MET A 78 -6.492 9.213 -3.458 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.969 8.548 -3.059 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.376 8.800 -1.373 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.211 7.191 -1.534 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.927 6.995 -3.252 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.865 4.817 -3.567 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.042 5.919 -4.322 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.608 6.577 -3.499 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.704 9.682 -1.284 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.453 10.141 -0.143 1.00 0.00 C ATOM 1258 C GLU A 79 -8.556 9.083 0.915 1.00 0.00 C ATOM 1259 O GLU A 79 -8.185 7.929 0.706 1.00 0.00 O ATOM 1260 CB GLU A 79 -9.837 10.615 -0.545 1.00 0.00 C ATOM 1261 CG GLU A 79 -9.814 11.792 -1.481 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.043 12.645 -1.353 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -11.324 13.121 -0.230 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -11.726 12.870 -2.369 1.00 0.00 O ATOM 0 H GLU A 79 -8.174 8.980 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.906 10.986 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.372 9.792 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.396 10.883 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.931 12.398 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.727 11.436 -2.507 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.063 9.475 2.057 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.227 8.582 3.172 1.00 0.00 C ATOM 1273 C ASP A 80 -10.248 7.506 2.863 1.00 0.00 C ATOM 1274 O ASP A 80 -11.257 7.748 2.202 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.652 9.355 4.416 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.928 10.144 4.199 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.869 11.207 3.539 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.989 9.706 4.681 1.00 0.00 O ATOM 0 H ASP A 80 -9.375 10.429 2.238 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.266 8.103 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.795 8.658 5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.852 10.036 4.708 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.951 6.311 3.327 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.815 5.148 3.200 1.00 0.00 C ATOM 1285 C GLU A 81 -11.001 4.707 1.747 1.00 0.00 C ATOM 1286 O GLU A 81 -11.878 3.895 1.441 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.155 5.387 3.899 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.987 5.828 5.347 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.258 5.730 6.150 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.762 4.598 6.334 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.742 6.772 6.629 1.00 0.00 O ATOM 0 H GLU A 81 -9.079 6.112 3.817 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.315 4.320 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.715 6.147 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.746 4.472 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.219 5.216 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.631 6.858 5.367 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.166 5.218 0.844 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.224 4.788 -0.544 1.00 0.00 C ATOM 1300 C ASP A 82 -9.452 3.476 -0.683 1.00 0.00 C ATOM 1301 O ASP A 82 -8.773 3.045 0.260 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.672 5.859 -1.497 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.379 5.837 -2.843 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.310 4.807 -3.549 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -11.026 6.844 -3.191 1.00 0.00 O ATOM 0 H ASP A 82 -9.453 5.919 1.047 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.266 4.633 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.786 6.843 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.604 5.698 -1.645 1.00 0.00 H new ATOM 1310 N THR A 83 -9.541 2.824 -1.821 1.00 0.00 N ATOM 1311 CA THR A 83 -8.925 1.520 -1.959 1.00 0.00 C ATOM 1312 C THR A 83 -8.019 1.403 -3.193 1.00 0.00 C ATOM 1313 O THR A 83 -8.298 1.952 -4.260 1.00 0.00 O ATOM 1314 CB THR A 83 -10.008 0.429 -1.995 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.931 0.650 -0.919 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.398 -0.955 -1.850 1.00 0.00 C ATOM 0 H THR A 83 -10.024 3.166 -2.652 1.00 0.00 H new ATOM 0 HA THR A 83 -8.283 1.384 -1.088 1.00 0.00 H new ATOM 0 HB THR A 83 -10.520 0.481 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.626 -0.041 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.188 -1.706 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.699 -1.132 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.869 -1.022 -0.899 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.936 0.654 -3.023 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.978 0.393 -4.075 1.00 0.00 C ATOM 1326 C ILE A 84 -6.176 -1.024 -4.574 1.00 0.00 C ATOM 1327 O ILE A 84 -6.294 -1.956 -3.781 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.502 0.557 -3.596 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.194 2.009 -3.210 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.533 0.083 -4.665 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.663 2.399 -1.824 1.00 0.00 C ATOM 0 H ILE A 84 -6.701 0.208 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.150 1.122 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.377 -0.062 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.118 2.169 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.660 2.673 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.510 0.207 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.717 -0.969 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.675 0.671 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.405 3.441 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.744 2.274 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.178 1.763 -1.083 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.219 -1.193 -5.868 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.436 -2.500 -6.456 1.00 0.00 C ATOM 1345 C ASP A 85 -5.116 -3.170 -6.786 1.00 0.00 C ATOM 1346 O ASP A 85 -4.269 -2.607 -7.475 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.309 -2.389 -7.709 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.703 -1.898 -7.391 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.543 -2.712 -6.962 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.973 -0.684 -7.567 1.00 0.00 O ATOM 0 H ASP A 85 -6.106 -0.439 -6.545 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.958 -3.118 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.839 -1.708 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.370 -3.363 -8.195 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.926 -4.371 -6.281 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.701 -5.110 -6.523 1.00 0.00 C ATOM 1357 C VAL A 86 -3.944 -6.283 -7.458 1.00 0.00 C ATOM 1358 O VAL A 86 -4.909 -7.040 -7.300 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.065 -5.603 -5.201 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -1.977 -6.632 -5.461 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.499 -4.429 -4.431 1.00 0.00 C ATOM 0 H VAL A 86 -5.606 -4.859 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.001 -4.425 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.844 -6.082 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.550 -6.958 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.404 -7.490 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.195 -6.187 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.053 -4.784 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.737 -3.933 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.298 -3.724 -4.204 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.043 -6.460 -8.408 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.168 -7.508 -9.406 1.00 0.00 C ATOM 1373 C PHE A 87 -1.885 -8.316 -9.475 1.00 0.00 C ATOM 1374 O PHE A 87 -0.804 -7.817 -9.128 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.467 -6.904 -10.786 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.713 -6.066 -10.828 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.676 -4.736 -10.450 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.919 -6.608 -11.240 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.812 -3.962 -10.477 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -7.065 -5.837 -11.272 1.00 0.00 C ATOM 1381 CZ PHE A 87 -7.011 -4.511 -10.891 1.00 0.00 C ATOM 0 H PHE A 87 -2.207 -5.884 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.993 -8.160 -9.118 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.619 -6.292 -11.095 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.559 -7.711 -11.513 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.742 -4.299 -10.129 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.964 -7.645 -11.540 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.768 -2.926 -10.175 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.000 -6.270 -11.594 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.904 -3.904 -10.916 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.988 -9.569 -9.879 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.816 -10.405 -10.051 1.00 0.00 C ATOM 1393 C GLN A 88 -0.477 -10.525 -11.524 1.00 0.00 C ATOM 1394 O GLN A 88 -1.234 -11.106 -12.298 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.039 -11.809 -9.465 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.684 -11.955 -7.992 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.682 -11.300 -7.051 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.653 -11.916 -6.632 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.447 -10.052 -6.707 1.00 0.00 N ATOM 0 H GLN A 88 -2.872 -10.030 -10.094 1.00 0.00 H new ATOM 0 HA GLN A 88 0.010 -9.935 -9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.086 -12.080 -9.600 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.448 -12.524 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.612 -13.015 -7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.301 -11.521 -7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.628 -9.567 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.084 -9.569 -6.073 1.00 0.00 H new ATOM 1408 N GLN A 89 0.636 -9.927 -11.923 1.00 0.00 N ATOM 1409 CA GLN A 89 1.114 -10.042 -13.299 1.00 0.00 C ATOM 1410 C GLN A 89 1.354 -11.477 -13.660 1.00 0.00 C ATOM 1411 O GLN A 89 0.789 -12.004 -14.619 1.00 0.00 O ATOM 1412 CB GLN A 89 2.369 -9.190 -13.535 1.00 0.00 C ATOM 1413 CG GLN A 89 2.071 -7.712 -13.802 1.00 0.00 C ATOM 1414 CD GLN A 89 1.443 -6.997 -12.620 1.00 0.00 C ATOM 1415 OE1 GLN A 89 1.856 -7.351 -11.416 1.00 0.00 O flip ATOM 1416 NE2 GLN A 89 0.612 -6.105 -12.793 1.00 0.00 N flip ATOM 0 H GLN A 89 1.226 -9.357 -11.317 1.00 0.00 H new ATOM 0 HA GLN A 89 0.334 -9.654 -13.955 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.019 -9.268 -12.664 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.920 -9.599 -14.382 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.998 -7.206 -14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.404 -7.634 -14.660 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.317 -5.859 -13.738 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.219 -5.612 -11.991 1.00 0.00 H new ATOM 1425 N GLN A 90 2.188 -12.111 -12.907 1.00 0.00 N ATOM 1426 CA GLN A 90 2.448 -13.527 -13.076 1.00 0.00 C ATOM 1427 C GLN A 90 1.387 -14.346 -12.344 1.00 0.00 C ATOM 1428 O GLN A 90 0.380 -13.808 -11.882 1.00 0.00 O ATOM 1429 CB GLN A 90 3.841 -13.876 -12.545 1.00 0.00 C ATOM 1430 CG GLN A 90 4.974 -13.259 -13.343 1.00 0.00 C ATOM 1431 CD GLN A 90 6.333 -13.623 -12.793 1.00 0.00 C ATOM 1432 OE1 GLN A 90 6.879 -12.764 -11.964 1.00 0.00 O flip ATOM 1433 NE2 GLN A 90 6.899 -14.662 -13.136 1.00 0.00 N flip ATOM 0 H GLN A 90 2.717 -11.674 -12.152 1.00 0.00 H new ATOM 0 HA GLN A 90 2.408 -13.767 -14.139 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.918 -13.546 -11.509 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.958 -14.960 -12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.905 -13.588 -14.380 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.865 -12.174 -13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.440 -15.303 -13.783 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.827 -14.881 -12.773 1.00 0.00 H new ATOM 1442 N THR A 91 1.604 -15.640 -12.242 1.00 0.00 N ATOM 1443 CA THR A 91 0.673 -16.517 -11.566 1.00 0.00 C ATOM 1444 C THR A 91 0.877 -16.486 -10.045 1.00 0.00 C ATOM 1445 O THR A 91 1.667 -15.691 -9.528 1.00 0.00 O ATOM 1446 CB THR A 91 0.813 -17.952 -12.091 1.00 0.00 C ATOM 1447 OG1 THR A 91 2.196 -18.226 -12.386 1.00 0.00 O ATOM 1448 CG2 THR A 91 -0.030 -18.151 -13.340 1.00 0.00 C ATOM 0 H THR A 91 2.425 -16.111 -12.623 1.00 0.00 H new ATOM 0 HA THR A 91 -0.335 -16.158 -11.777 1.00 0.00 H new ATOM 0 HB THR A 91 0.460 -18.641 -11.323 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.284 -19.143 -12.719 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.083 -19.175 -13.696 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.078 -17.962 -13.106 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.299 -17.459 -14.115 1.00 0.00 H new ATOM 1456 N GLY A 92 0.175 -17.355 -9.330 1.00 0.00 N ATOM 1457 CA GLY A 92 0.274 -17.377 -7.884 1.00 0.00 C ATOM 1458 C GLY A 92 -0.850 -18.165 -7.240 1.00 0.00 C ATOM 1459 O GLY A 92 -0.754 -18.569 -6.079 1.00 0.00 O ATOM 0 H GLY A 92 -0.462 -18.046 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.231 -17.811 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.261 -16.355 -7.506 1.00 0.00 H new ATOM 1463 N GLY A 93 -1.916 -18.391 -7.986 1.00 0.00 N ATOM 1464 CA GLY A 93 -3.038 -19.141 -7.471 1.00 0.00 C ATOM 1465 C GLY A 93 -3.706 -19.954 -8.553 1.00 0.00 C ATOM 1466 O GLY A 93 -4.266 -21.021 -8.245 1.00 0.00 O ATOM 1467 OXT GLY A 93 -3.669 -19.526 -9.728 1.00 0.00 O ATOM 0 H GLY A 93 -2.025 -18.066 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.699 -19.803 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.762 -18.456 -7.030 1.00 0.00 H new TER 1471 GLY A 93