USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1024 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 88 THR OG1 : rot 120:sc= -2.34 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.96 X(o=-4.3,f=-4.8) USER MOD Set 2.1: A 47 MET CE :methyl 149:sc= -10.4! (180deg=-5.61!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -21.8! C(o=-32!,f=-44!) USER MOD Set 2.3: A 79 THR OG1 : rot -51:sc= 0.446! USER MOD Set 3.1: A 8 LYS NZ :NH3+ 156:sc= 0.197 (180deg=0) USER MOD Set 3.2: A 33 GLN : amide:sc= 0.189 X(o=0.39,f=-0.036) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.209 (180deg=-1.23) USER MOD Single : A 1 MET N :NH3+ -150:sc=0.000365 (180deg=-0.525) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -175:sc= -0.137 USER MOD Single : A 27 GLN : amide:sc= -0.864 K(o=-0.86,f=-6!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 44 MET CE :methyl -149:sc= -2.06! (180deg=-3.04!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0861 K(o=-0.086,f=-2.1!) USER MOD Single : A 50 ASN : amide:sc= -4.91! C(o=-4.9!,f=-8.7!) USER MOD Single : A 53 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-5.1!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.403 USER MOD Single : A 60 ASN : amide:sc= -1.96! C(o=-2!,f=-2.6!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 173:sc= -0.074 (180deg=-0.0959) USER MOD Single : A 71 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.03) USER MOD Single : A 76 ASN : amide:sc= -2.18! X(o=-2.2!,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= -0.0403 (180deg=-0.305) USER MOD Single : A 105 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4!) USER MOD Single : A 106 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.37) USER MOD Single : A 110 LYS NZ :NH3+ -110:sc= -1.4 (180deg=-4.52!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -117:sc= -2.36 (180deg=-9.49!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.073 16.584 9.636 1.00 0.00 N ATOM 2 CA MET A 1 12.661 16.952 8.360 1.00 0.00 C ATOM 3 C MET A 1 11.595 17.473 7.394 1.00 0.00 C ATOM 4 O MET A 1 10.573 18.009 7.822 1.00 0.00 O ATOM 5 CB MET A 1 13.355 15.734 7.746 1.00 0.00 C ATOM 6 CG MET A 1 14.325 15.096 8.743 1.00 0.00 C ATOM 7 SD MET A 1 15.305 13.848 7.926 1.00 0.00 S ATOM 8 CE MET A 1 16.272 14.878 6.834 1.00 0.00 C ATOM 0 H1 MET A 1 12.771 16.725 10.394 1.00 0.00 H new ATOM 0 H2 MET A 1 11.240 17.179 9.819 1.00 0.00 H new ATOM 0 H3 MET A 1 11.786 15.585 9.611 1.00 0.00 H new ATOM 0 HA MET A 1 13.387 17.746 8.533 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.608 15.001 7.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.895 16.033 6.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.975 15.859 9.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.770 14.652 9.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.227 14.394 6.628 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.731 15.025 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.449 15.844 7.307 1.00 0.00 H new ATOM 18 N SER A 2 11.868 17.296 6.110 1.00 0.00 N ATOM 19 CA SER A 2 10.945 17.742 5.080 1.00 0.00 C ATOM 20 C SER A 2 9.502 17.521 5.540 1.00 0.00 C ATOM 21 O SER A 2 8.622 18.326 5.240 1.00 0.00 O ATOM 22 CB SER A 2 11.198 17.011 3.760 1.00 0.00 C ATOM 23 OG SER A 2 11.174 17.898 2.646 1.00 0.00 O ATOM 0 H SER A 2 12.715 16.850 5.759 1.00 0.00 H new ATOM 0 HA SER A 2 11.108 18.807 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.165 16.509 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.443 16.237 3.624 1.00 0.00 H new ATOM 0 HG SER A 2 11.341 17.394 1.823 1.00 0.00 H new ATOM 29 N LEU A 3 9.305 16.427 6.262 1.00 0.00 N ATOM 30 CA LEU A 3 7.985 16.090 6.766 1.00 0.00 C ATOM 31 C LEU A 3 8.121 15.437 8.142 1.00 0.00 C ATOM 32 O LEU A 3 8.544 14.286 8.247 1.00 0.00 O ATOM 33 CB LEU A 3 7.225 15.235 5.750 1.00 0.00 C ATOM 34 CG LEU A 3 5.846 15.753 5.334 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.119 16.388 6.521 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.956 16.713 4.149 1.00 0.00 C ATOM 0 H LEU A 3 10.038 15.763 6.510 1.00 0.00 H new ATOM 0 HA LEU A 3 7.386 16.991 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.840 15.138 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.105 14.234 6.165 1.00 0.00 H new ATOM 0 HG LEU A 3 5.246 14.904 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.142 16.748 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.991 15.645 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.706 17.224 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.962 17.066 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.579 17.563 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.405 16.195 3.301 1.00 0.00 H new ATOM 48 N ALA A 4 7.753 16.197 9.163 1.00 0.00 N ATOM 49 CA ALA A 4 7.828 15.705 10.528 1.00 0.00 C ATOM 50 C ALA A 4 7.059 14.388 10.634 1.00 0.00 C ATOM 51 O ALA A 4 7.451 13.495 11.383 1.00 0.00 O ATOM 52 CB ALA A 4 7.293 16.772 11.485 1.00 0.00 C ATOM 0 H ALA A 4 7.402 17.150 9.072 1.00 0.00 H new ATOM 0 HA ALA A 4 8.862 15.505 10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.349 16.403 12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.892 17.678 11.392 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.256 16.996 11.237 1.00 0.00 H new ATOM 58 N GLU A 5 5.978 14.308 9.872 1.00 0.00 N ATOM 59 CA GLU A 5 5.151 13.114 9.871 1.00 0.00 C ATOM 60 C GLU A 5 5.610 12.150 8.775 1.00 0.00 C ATOM 61 O GLU A 5 5.712 10.946 9.005 1.00 0.00 O ATOM 62 CB GLU A 5 3.672 13.471 9.702 1.00 0.00 C ATOM 63 CG GLU A 5 2.983 13.609 11.061 1.00 0.00 C ATOM 64 CD GLU A 5 1.580 14.201 10.907 1.00 0.00 C ATOM 65 OE1 GLU A 5 1.502 15.438 10.742 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.619 13.405 10.959 1.00 0.00 O ATOM 0 H GLU A 5 5.656 15.051 9.251 1.00 0.00 H new ATOM 0 HA GLU A 5 5.264 12.618 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.581 14.405 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.173 12.701 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.919 12.633 11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.581 14.246 11.713 1.00 0.00 H new ATOM 73 N LYS A 6 5.875 12.716 7.606 1.00 0.00 N ATOM 74 CA LYS A 6 6.321 11.922 6.474 1.00 0.00 C ATOM 75 C LYS A 6 5.564 10.593 6.460 1.00 0.00 C ATOM 76 O LYS A 6 6.093 9.578 6.006 1.00 0.00 O ATOM 77 CB LYS A 6 7.842 11.764 6.498 1.00 0.00 C ATOM 78 CG LYS A 6 8.277 10.797 7.601 1.00 0.00 C ATOM 79 CD LYS A 6 9.800 10.662 7.645 1.00 0.00 C ATOM 80 CE LYS A 6 10.252 9.344 7.013 1.00 0.00 C ATOM 81 NZ LYS A 6 10.661 8.381 8.059 1.00 0.00 N ATOM 0 H LYS A 6 5.789 13.715 7.419 1.00 0.00 H new ATOM 0 HA LYS A 6 6.091 12.430 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.188 11.398 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.309 12.736 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.912 11.152 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.827 9.819 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.258 11.498 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.143 10.711 8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.441 8.922 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.084 9.526 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.965 7.492 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.449 8.779 8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.857 8.194 8.692 1.00 0.00 H new ATOM 95 N ILE A 7 4.339 10.639 6.963 1.00 0.00 N ATOM 96 CA ILE A 7 3.505 9.451 7.013 1.00 0.00 C ATOM 97 C ILE A 7 2.250 9.677 6.167 1.00 0.00 C ATOM 98 O ILE A 7 1.244 10.181 6.664 1.00 0.00 O ATOM 99 CB ILE A 7 3.207 9.066 8.464 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.360 7.793 8.530 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.555 10.229 9.215 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.245 6.546 8.511 1.00 0.00 C ATOM 0 H ILE A 7 3.904 11.481 7.340 1.00 0.00 H new ATOM 0 HA ILE A 7 4.031 8.599 6.582 1.00 0.00 H new ATOM 0 HB ILE A 7 4.152 8.850 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.755 7.801 9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.670 7.767 7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.353 9.930 10.244 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.227 11.087 9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.619 10.499 8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.619 5.655 8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.830 6.529 7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.917 6.564 9.369 1.00 0.00 H new ATOM 114 N LYS A 8 2.351 9.294 4.902 1.00 0.00 N ATOM 115 CA LYS A 8 1.238 9.449 3.982 1.00 0.00 C ATOM 116 C LYS A 8 0.859 8.081 3.411 1.00 0.00 C ATOM 117 O LYS A 8 1.730 7.257 3.137 1.00 0.00 O ATOM 118 CB LYS A 8 1.567 10.492 2.912 1.00 0.00 C ATOM 119 CG LYS A 8 0.518 11.605 2.890 1.00 0.00 C ATOM 120 CD LYS A 8 1.119 12.915 2.375 1.00 0.00 C ATOM 121 CE LYS A 8 0.369 13.414 1.138 1.00 0.00 C ATOM 122 NZ LYS A 8 0.288 14.891 1.143 1.00 0.00 N ATOM 0 H LYS A 8 3.187 8.877 4.493 1.00 0.00 H new ATOM 0 HA LYS A 8 0.362 9.830 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.551 10.919 3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.614 10.013 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.317 11.310 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.119 11.753 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.078 13.671 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.171 12.766 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.877 13.075 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.634 12.989 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.163 15.235 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.521 15.192 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.165 15.285 1.539 1.00 0.00 H new ATOM 136 N VAL A 9 -0.441 7.882 3.251 1.00 0.00 N ATOM 137 CA VAL A 9 -0.946 6.627 2.718 1.00 0.00 C ATOM 138 C VAL A 9 -1.308 6.814 1.243 1.00 0.00 C ATOM 139 O VAL A 9 -2.076 7.710 0.897 1.00 0.00 O ATOM 140 CB VAL A 9 -2.121 6.135 3.564 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.470 4.683 3.227 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.826 6.295 5.057 1.00 0.00 C ATOM 0 H VAL A 9 -1.160 8.568 3.481 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.180 5.854 2.769 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.987 6.752 3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.309 4.358 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.743 4.609 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.607 4.046 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.677 5.938 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.941 5.715 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.649 7.347 5.282 1.00 0.00 H new ATOM 152 N LEU A 10 -0.738 5.952 0.414 1.00 0.00 N ATOM 153 CA LEU A 10 -0.991 6.010 -1.016 1.00 0.00 C ATOM 154 C LEU A 10 -1.858 4.818 -1.425 1.00 0.00 C ATOM 155 O LEU A 10 -1.438 3.668 -1.300 1.00 0.00 O ATOM 156 CB LEU A 10 0.326 6.108 -1.790 1.00 0.00 C ATOM 157 CG LEU A 10 0.308 5.553 -3.215 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.943 4.161 -3.270 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.111 5.558 -3.789 1.00 0.00 C ATOM 0 H LEU A 10 -0.102 5.210 0.705 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.549 6.912 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.622 7.156 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.096 5.582 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 10 0.912 6.208 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.917 3.790 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.977 4.219 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.387 3.482 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.095 5.158 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.758 4.940 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.492 6.579 -3.807 1.00 0.00 H new ATOM 171 N ILE A 11 -3.051 5.132 -1.906 1.00 0.00 N ATOM 172 CA ILE A 11 -3.982 4.100 -2.334 1.00 0.00 C ATOM 173 C ILE A 11 -4.625 4.518 -3.658 1.00 0.00 C ATOM 174 O ILE A 11 -5.426 5.451 -3.696 1.00 0.00 O ATOM 175 CB ILE A 11 -4.994 3.799 -1.227 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.058 4.894 -1.143 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.290 3.580 0.114 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.078 4.584 -0.046 1.00 0.00 C ATOM 0 H ILE A 11 -3.396 6.086 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.456 3.163 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.507 2.871 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.582 5.854 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.567 4.986 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.032 3.368 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.602 2.738 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.734 4.478 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.823 5.378 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.569 3.636 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.569 4.517 0.916 1.00 0.00 H new ATOM 190 N VAL A 12 -4.251 3.807 -4.711 1.00 0.00 N ATOM 191 CA VAL A 12 -4.781 4.091 -6.034 1.00 0.00 C ATOM 192 C VAL A 12 -5.229 2.784 -6.691 1.00 0.00 C ATOM 193 O VAL A 12 -4.478 1.811 -6.720 1.00 0.00 O ATOM 194 CB VAL A 12 -3.743 4.852 -6.862 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.483 4.009 -7.069 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.331 5.300 -8.201 1.00 0.00 C ATOM 0 H VAL A 12 -3.587 3.034 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.657 4.736 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.460 5.746 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.761 4.573 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.046 3.764 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.743 3.089 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.573 5.838 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.656 4.426 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.184 5.955 -8.023 1.00 0.00 H new ATOM 206 N ASP A 13 -6.451 2.805 -7.202 1.00 0.00 N ATOM 207 CA ASP A 13 -7.008 1.634 -7.856 1.00 0.00 C ATOM 208 C ASP A 13 -7.764 2.068 -9.113 1.00 0.00 C ATOM 209 O ASP A 13 -8.433 3.102 -9.114 1.00 0.00 O ATOM 210 CB ASP A 13 -7.994 0.906 -6.940 1.00 0.00 C ATOM 211 CG ASP A 13 -7.363 0.224 -5.724 1.00 0.00 C ATOM 212 OD1 ASP A 13 -6.647 0.933 -4.983 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.612 -0.990 -5.562 1.00 0.00 O ATOM 0 H ASP A 13 -7.071 3.615 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.185 0.964 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.739 1.621 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.524 0.154 -7.525 1.00 0.00 H new ATOM 218 N ASP A 14 -7.633 1.259 -10.154 1.00 0.00 N ATOM 219 CA ASP A 14 -8.296 1.547 -11.414 1.00 0.00 C ATOM 220 C ASP A 14 -9.778 1.825 -11.154 1.00 0.00 C ATOM 221 O ASP A 14 -10.313 2.835 -11.610 1.00 0.00 O ATOM 222 CB ASP A 14 -8.198 0.358 -12.372 1.00 0.00 C ATOM 223 CG ASP A 14 -8.178 0.725 -13.858 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.614 1.795 -14.170 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.726 -0.074 -14.647 1.00 0.00 O ATOM 0 H ASP A 14 -7.077 0.404 -10.150 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.808 2.412 -11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.293 -0.203 -12.139 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.042 -0.308 -12.189 1.00 0.00 H new ATOM 230 N GLN A 15 -10.400 0.910 -10.424 1.00 0.00 N ATOM 231 CA GLN A 15 -11.810 1.045 -10.099 1.00 0.00 C ATOM 232 C GLN A 15 -11.984 1.883 -8.832 1.00 0.00 C ATOM 233 O GLN A 15 -11.181 1.789 -7.904 1.00 0.00 O ATOM 234 CB GLN A 15 -12.469 -0.327 -9.944 1.00 0.00 C ATOM 235 CG GLN A 15 -13.758 -0.412 -10.762 1.00 0.00 C ATOM 236 CD GLN A 15 -14.202 -1.866 -10.938 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.299 -2.631 -9.993 1.00 0.00 O ATOM 238 NE2 GLN A 15 -14.464 -2.202 -12.198 1.00 0.00 N ATOM 0 H GLN A 15 -9.954 0.073 -10.049 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.306 1.560 -10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.777 -1.105 -10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.689 -0.512 -8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.546 0.155 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.603 0.045 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.362 -1.511 -12.942 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.767 -3.150 -12.421 1.00 0.00 H new ATOM 247 N VAL A 16 -13.039 2.686 -8.832 1.00 0.00 N ATOM 248 CA VAL A 16 -13.329 3.542 -7.695 1.00 0.00 C ATOM 249 C VAL A 16 -13.783 2.679 -6.516 1.00 0.00 C ATOM 250 O VAL A 16 -13.365 2.902 -5.381 1.00 0.00 O ATOM 251 CB VAL A 16 -14.357 4.605 -8.088 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.148 5.080 -6.867 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.684 5.782 -8.798 1.00 0.00 C ATOM 0 H VAL A 16 -13.703 2.761 -9.602 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.433 4.077 -7.381 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.060 4.150 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.872 5.835 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.672 4.234 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.464 5.509 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.437 6.523 -9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.949 6.236 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.187 5.426 -9.700 1.00 0.00 H new ATOM 263 N THR A 17 -14.631 1.709 -6.826 1.00 0.00 N ATOM 264 CA THR A 17 -15.147 0.811 -5.806 1.00 0.00 C ATOM 265 C THR A 17 -13.996 0.110 -5.083 1.00 0.00 C ATOM 266 O THR A 17 -14.077 -0.151 -3.884 1.00 0.00 O ATOM 267 CB THR A 17 -16.123 -0.156 -6.477 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.390 0.190 -5.926 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.907 -1.605 -6.036 1.00 0.00 C ATOM 0 H THR A 17 -14.974 1.525 -7.769 1.00 0.00 H new ATOM 0 HA THR A 17 -15.689 1.358 -5.034 1.00 0.00 H new ATOM 0 HB THR A 17 -16.016 -0.086 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.082 -0.388 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.625 -2.250 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.895 -1.917 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.047 -1.682 -4.958 1.00 0.00 H new ATOM 277 N SER A 18 -12.948 -0.177 -5.843 1.00 0.00 N ATOM 278 CA SER A 18 -11.782 -0.844 -5.290 1.00 0.00 C ATOM 279 C SER A 18 -11.004 0.121 -4.394 1.00 0.00 C ATOM 280 O SER A 18 -10.783 -0.160 -3.216 1.00 0.00 O ATOM 281 CB SER A 18 -10.878 -1.384 -6.400 1.00 0.00 C ATOM 282 OG SER A 18 -11.627 -1.845 -7.522 1.00 0.00 O ATOM 0 H SER A 18 -12.883 0.041 -6.837 1.00 0.00 H new ATOM 0 HA SER A 18 -12.123 -1.690 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.190 -0.601 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.272 -2.201 -6.009 1.00 0.00 H new ATOM 0 HG SER A 18 -11.020 -2.248 -8.177 1.00 0.00 H new ATOM 288 N ARG A 19 -10.607 1.239 -4.985 1.00 0.00 N ATOM 289 CA ARG A 19 -9.857 2.246 -4.256 1.00 0.00 C ATOM 290 C ARG A 19 -10.712 2.830 -3.128 1.00 0.00 C ATOM 291 O ARG A 19 -10.184 3.267 -2.107 1.00 0.00 O ATOM 292 CB ARG A 19 -9.408 3.377 -5.183 1.00 0.00 C ATOM 293 CG ARG A 19 -9.561 4.738 -4.502 1.00 0.00 C ATOM 294 CD ARG A 19 -11.017 5.210 -4.545 1.00 0.00 C ATOM 295 NE ARG A 19 -11.073 6.646 -4.902 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.883 7.645 -4.029 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.624 7.371 -2.744 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.953 8.918 -4.443 1.00 0.00 N ATOM 0 H ARG A 19 -10.791 1.469 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.974 1.763 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.368 3.225 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.998 3.357 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.227 4.671 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.922 5.470 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.577 4.624 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.489 5.049 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.268 6.890 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.571 6.402 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.479 8.131 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.151 9.126 -5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.809 9.679 -3.779 1.00 0.00 H new ATOM 312 N LEU A 20 -12.017 2.819 -3.352 1.00 0.00 N ATOM 313 CA LEU A 20 -12.950 3.342 -2.367 1.00 0.00 C ATOM 314 C LEU A 20 -13.043 2.368 -1.191 1.00 0.00 C ATOM 315 O LEU A 20 -13.040 2.785 -0.034 1.00 0.00 O ATOM 316 CB LEU A 20 -14.299 3.650 -3.018 1.00 0.00 C ATOM 317 CG LEU A 20 -15.452 3.954 -2.060 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.358 5.051 -2.623 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.234 2.683 -1.723 1.00 0.00 C ATOM 0 H LEU A 20 -12.451 2.456 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.591 4.291 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.172 4.503 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.583 2.800 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.031 4.331 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.170 5.248 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.778 5.962 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.773 4.726 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.048 2.927 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.644 2.254 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.568 1.961 -1.250 1.00 0.00 H new ATOM 331 N LEU A 21 -13.122 1.089 -1.529 1.00 0.00 N ATOM 332 CA LEU A 21 -13.216 0.052 -0.515 1.00 0.00 C ATOM 333 C LEU A 21 -11.966 0.092 0.366 1.00 0.00 C ATOM 334 O LEU A 21 -12.065 0.243 1.583 1.00 0.00 O ATOM 335 CB LEU A 21 -13.468 -1.311 -1.163 1.00 0.00 C ATOM 336 CG LEU A 21 -14.895 -1.567 -1.652 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.914 -2.621 -2.761 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.814 -1.942 -0.489 1.00 0.00 C ATOM 0 H LEU A 21 -13.123 0.747 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.072 0.232 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.790 -1.420 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.207 -2.087 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.280 -0.642 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.940 -2.784 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.313 -2.275 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.502 -3.556 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.822 -2.119 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.442 -2.847 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.834 -1.128 0.236 1.00 0.00 H new ATOM 350 N LEU A 22 -10.819 -0.047 -0.283 1.00 0.00 N ATOM 351 CA LEU A 22 -9.551 -0.029 0.427 1.00 0.00 C ATOM 352 C LEU A 22 -9.437 1.271 1.226 1.00 0.00 C ATOM 353 O LEU A 22 -9.123 1.247 2.415 1.00 0.00 O ATOM 354 CB LEU A 22 -8.391 -0.257 -0.545 1.00 0.00 C ATOM 355 CG LEU A 22 -8.467 0.502 -1.871 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.528 1.709 -1.866 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.196 -0.430 -3.052 1.00 0.00 C ATOM 0 H LEU A 22 -10.741 -0.173 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.503 -0.849 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.464 0.020 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.330 -1.323 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.481 0.884 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.601 2.231 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.810 2.386 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.503 1.372 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.256 0.135 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.200 -0.862 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.938 -1.228 -3.063 1.00 0.00 H new ATOM 369 N GLY A 23 -9.700 2.374 0.542 1.00 0.00 N ATOM 370 CA GLY A 23 -9.630 3.681 1.173 1.00 0.00 C ATOM 371 C GLY A 23 -10.671 3.807 2.288 1.00 0.00 C ATOM 372 O GLY A 23 -10.455 4.521 3.266 1.00 0.00 O ATOM 0 H GLY A 23 -9.962 2.390 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.632 3.838 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.795 4.458 0.427 1.00 0.00 H new ATOM 376 N ASP A 24 -11.778 3.102 2.103 1.00 0.00 N ATOM 377 CA ASP A 24 -12.852 3.126 3.081 1.00 0.00 C ATOM 378 C ASP A 24 -12.447 2.292 4.297 1.00 0.00 C ATOM 379 O ASP A 24 -12.585 2.739 5.435 1.00 0.00 O ATOM 380 CB ASP A 24 -14.136 2.527 2.503 1.00 0.00 C ATOM 381 CG ASP A 24 -15.352 2.586 3.430 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.203 3.176 4.524 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.401 2.041 3.026 1.00 0.00 O ATOM 0 H ASP A 24 -11.954 2.511 1.291 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.032 4.164 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.378 3.049 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.948 1.486 2.242 1.00 0.00 H new ATOM 388 N ALA A 25 -11.955 1.094 4.016 1.00 0.00 N ATOM 389 CA ALA A 25 -11.529 0.192 5.074 1.00 0.00 C ATOM 390 C ALA A 25 -10.474 0.889 5.936 1.00 0.00 C ATOM 391 O ALA A 25 -10.539 0.839 7.164 1.00 0.00 O ATOM 392 CB ALA A 25 -11.012 -1.109 4.458 1.00 0.00 C ATOM 0 H ALA A 25 -11.842 0.727 3.071 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.367 -0.065 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.693 -1.785 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.807 -1.579 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.167 -0.892 3.804 1.00 0.00 H new ATOM 398 N LEU A 26 -9.526 1.520 5.261 1.00 0.00 N ATOM 399 CA LEU A 26 -8.458 2.225 5.950 1.00 0.00 C ATOM 400 C LEU A 26 -9.022 3.494 6.592 1.00 0.00 C ATOM 401 O LEU A 26 -8.480 3.987 7.580 1.00 0.00 O ATOM 402 CB LEU A 26 -7.287 2.485 4.999 1.00 0.00 C ATOM 403 CG LEU A 26 -6.121 1.500 5.088 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.614 0.054 4.996 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.059 1.811 4.031 1.00 0.00 C ATOM 0 H LEU A 26 -9.474 1.558 4.243 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.054 1.612 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.666 2.478 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.905 3.488 5.190 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.650 1.617 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.764 -0.625 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.304 -0.148 5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.125 -0.096 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.241 1.096 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.502 1.739 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.677 2.820 4.185 1.00 0.00 H new ATOM 417 N GLN A 27 -10.103 3.985 6.006 1.00 0.00 N ATOM 418 CA GLN A 27 -10.747 5.186 6.509 1.00 0.00 C ATOM 419 C GLN A 27 -11.213 4.975 7.951 1.00 0.00 C ATOM 420 O GLN A 27 -10.925 5.790 8.826 1.00 0.00 O ATOM 421 CB GLN A 27 -11.914 5.601 5.611 1.00 0.00 C ATOM 422 CG GLN A 27 -13.251 5.436 6.337 1.00 0.00 C ATOM 423 CD GLN A 27 -14.404 5.990 5.499 1.00 0.00 C ATOM 424 OE1 GLN A 27 -14.565 5.673 4.331 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.194 6.834 6.156 1.00 0.00 N ATOM 0 H GLN A 27 -10.550 3.573 5.187 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.018 5.996 6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.789 6.639 5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.912 4.997 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.425 4.381 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.214 5.952 7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.003 7.056 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.991 7.259 5.683 1.00 0.00 H new ATOM 434 N GLN A 28 -11.925 3.876 8.154 1.00 0.00 N ATOM 435 CA GLN A 28 -12.433 3.548 9.475 1.00 0.00 C ATOM 436 C GLN A 28 -11.275 3.343 10.454 1.00 0.00 C ATOM 437 O GLN A 28 -11.484 3.288 11.664 1.00 0.00 O ATOM 438 CB GLN A 28 -13.332 2.311 9.424 1.00 0.00 C ATOM 439 CG GLN A 28 -14.787 2.678 9.727 1.00 0.00 C ATOM 440 CD GLN A 28 -15.510 1.524 10.426 1.00 0.00 C ATOM 441 OE1 GLN A 28 -16.252 0.766 9.823 1.00 0.00 O ATOM 442 NE2 GLN A 28 -15.251 1.432 11.728 1.00 0.00 N ATOM 0 H GLN A 28 -12.162 3.202 7.426 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.038 4.383 9.828 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.267 1.850 8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.982 1.572 10.145 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.818 3.566 10.358 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.304 2.927 8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.620 2.100 12.171 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.684 0.694 12.283 1.00 0.00 H new ATOM 451 N LEU A 29 -10.080 3.238 9.892 1.00 0.00 N ATOM 452 CA LEU A 29 -8.889 3.041 10.700 1.00 0.00 C ATOM 453 C LEU A 29 -8.192 4.387 10.911 1.00 0.00 C ATOM 454 O LEU A 29 -7.324 4.513 11.773 1.00 0.00 O ATOM 455 CB LEU A 29 -7.988 1.973 10.076 1.00 0.00 C ATOM 456 CG LEU A 29 -6.494 2.298 10.033 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.862 2.161 11.420 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.776 1.440 8.989 1.00 0.00 C ATOM 0 H LEU A 29 -9.911 3.286 8.887 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.157 2.662 11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.122 1.044 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.329 1.788 9.057 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.380 3.338 9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.800 2.398 11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.349 2.849 12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.987 1.139 11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.715 1.691 8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.897 0.386 9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.203 1.631 8.005 1.00 0.00 H new ATOM 470 N GLY A 30 -8.598 5.359 10.108 1.00 0.00 N ATOM 471 CA GLY A 30 -8.023 6.691 10.194 1.00 0.00 C ATOM 472 C GLY A 30 -6.560 6.686 9.750 1.00 0.00 C ATOM 473 O GLY A 30 -5.742 7.431 10.288 1.00 0.00 O ATOM 0 H GLY A 30 -9.319 5.251 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.594 7.378 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.095 7.056 11.218 1.00 0.00 H new ATOM 477 N PHE A 31 -6.274 5.840 8.772 1.00 0.00 N ATOM 478 CA PHE A 31 -4.923 5.729 8.249 1.00 0.00 C ATOM 479 C PHE A 31 -4.099 6.973 8.589 1.00 0.00 C ATOM 480 O PHE A 31 -3.650 7.133 9.722 1.00 0.00 O ATOM 481 CB PHE A 31 -5.040 5.610 6.729 1.00 0.00 C ATOM 482 CG PHE A 31 -6.050 6.573 6.104 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.335 6.594 6.550 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.664 7.411 5.105 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.273 7.489 5.970 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.602 8.306 4.526 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.887 8.327 4.971 1.00 0.00 C ATOM 0 H PHE A 31 -6.955 5.224 8.328 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.425 4.865 8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.061 5.789 6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.323 4.588 6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.642 5.930 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.643 7.396 4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.294 7.504 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.295 8.970 3.732 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.600 9.009 4.531 1.00 0.00 H new ATOM 497 N LYS A 32 -3.928 7.822 7.587 1.00 0.00 N ATOM 498 CA LYS A 32 -3.166 9.046 7.765 1.00 0.00 C ATOM 499 C LYS A 32 -3.494 10.016 6.628 1.00 0.00 C ATOM 500 O LYS A 32 -3.893 11.153 6.873 1.00 0.00 O ATOM 501 CB LYS A 32 -1.673 8.735 7.896 1.00 0.00 C ATOM 502 CG LYS A 32 -1.037 9.563 9.014 1.00 0.00 C ATOM 503 CD LYS A 32 -1.265 8.911 10.379 1.00 0.00 C ATOM 504 CE LYS A 32 -0.676 9.766 11.501 1.00 0.00 C ATOM 505 NZ LYS A 32 -0.864 9.104 12.811 1.00 0.00 N ATOM 0 H LYS A 32 -4.304 7.686 6.649 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.448 9.537 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.536 7.673 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.170 8.945 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.033 9.667 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.459 10.568 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.333 8.772 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.809 7.921 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.386 9.932 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.155 10.745 11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.458 9.698 13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.880 8.968 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.387 8.180 12.805 1.00 0.00 H new ATOM 519 N GLN A 33 -3.314 9.531 5.408 1.00 0.00 N ATOM 520 CA GLN A 33 -3.586 10.341 4.233 1.00 0.00 C ATOM 521 C GLN A 33 -3.830 9.445 3.016 1.00 0.00 C ATOM 522 O GLN A 33 -3.000 8.599 2.687 1.00 0.00 O ATOM 523 CB GLN A 33 -2.444 11.324 3.968 1.00 0.00 C ATOM 524 CG GLN A 33 -2.856 12.752 4.328 1.00 0.00 C ATOM 525 CD GLN A 33 -2.921 13.636 3.081 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.207 14.616 2.944 1.00 0.00 O ATOM 527 NE2 GLN A 33 -3.814 13.236 2.180 1.00 0.00 N ATOM 0 H GLN A 33 -2.983 8.587 5.208 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.488 10.924 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.569 11.036 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.156 11.278 2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.828 12.740 4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.144 13.171 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.380 12.406 2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.932 13.759 1.312 1.00 0.00 H new ATOM 536 N ILE A 34 -4.974 9.661 2.384 1.00 0.00 N ATOM 537 CA ILE A 34 -5.338 8.885 1.210 1.00 0.00 C ATOM 538 C ILE A 34 -4.924 9.647 -0.049 1.00 0.00 C ATOM 539 O ILE A 34 -5.492 10.692 -0.362 1.00 0.00 O ATOM 540 CB ILE A 34 -6.825 8.521 1.249 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.663 9.697 1.754 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.058 7.254 2.075 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.010 9.760 1.031 1.00 0.00 C ATOM 0 H ILE A 34 -5.661 10.362 2.662 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.801 7.936 1.199 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.151 8.306 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.826 9.598 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.119 10.629 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.122 7.018 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.507 6.424 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.711 7.416 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.586 10.605 1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.843 9.884 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.561 8.837 1.208 1.00 0.00 H new ATOM 555 N THR A 35 -3.938 9.093 -0.740 1.00 0.00 N ATOM 556 CA THR A 35 -3.442 9.708 -1.960 1.00 0.00 C ATOM 557 C THR A 35 -3.547 8.729 -3.131 1.00 0.00 C ATOM 558 O THR A 35 -2.901 7.683 -3.131 1.00 0.00 O ATOM 559 CB THR A 35 -2.013 10.190 -1.698 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.162 11.576 -1.403 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.148 10.168 -2.959 1.00 0.00 C ATOM 0 H THR A 35 -3.470 8.226 -0.478 1.00 0.00 H new ATOM 0 HA THR A 35 -4.046 10.570 -2.243 1.00 0.00 H new ATOM 0 HB THR A 35 -1.554 9.565 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.283 11.968 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.145 10.519 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.093 9.150 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.589 10.819 -3.714 1.00 0.00 H new ATOM 569 N ALA A 36 -4.368 9.105 -4.101 1.00 0.00 N ATOM 570 CA ALA A 36 -4.567 8.275 -5.276 1.00 0.00 C ATOM 571 C ALA A 36 -4.287 9.101 -6.533 1.00 0.00 C ATOM 572 O ALA A 36 -4.645 10.275 -6.601 1.00 0.00 O ATOM 573 CB ALA A 36 -5.984 7.700 -5.261 1.00 0.00 C ATOM 0 H ALA A 36 -4.903 9.974 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.873 7.434 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.133 7.077 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.123 7.097 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.708 8.515 -5.266 1.00 0.00 H new ATOM 579 N ALA A 37 -3.650 8.454 -7.498 1.00 0.00 N ATOM 580 CA ALA A 37 -3.317 9.114 -8.749 1.00 0.00 C ATOM 581 C ALA A 37 -3.308 8.082 -9.879 1.00 0.00 C ATOM 582 O ALA A 37 -2.675 7.034 -9.762 1.00 0.00 O ATOM 583 CB ALA A 37 -1.975 9.834 -8.606 1.00 0.00 C ATOM 0 H ALA A 37 -3.356 7.479 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.065 9.867 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.726 10.329 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.043 10.577 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.198 9.110 -8.360 1.00 0.00 H new ATOM 589 N GLY A 38 -4.020 8.415 -10.946 1.00 0.00 N ATOM 590 CA GLY A 38 -4.101 7.531 -12.096 1.00 0.00 C ATOM 591 C GLY A 38 -4.098 6.064 -11.660 1.00 0.00 C ATOM 592 O GLY A 38 -5.155 5.474 -11.443 1.00 0.00 O ATOM 0 H GLY A 38 -4.546 9.284 -11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.009 7.745 -12.660 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.259 7.718 -12.763 1.00 0.00 H new ATOM 596 N ASP A 39 -2.897 5.516 -11.546 1.00 0.00 N ATOM 597 CA ASP A 39 -2.742 4.130 -11.141 1.00 0.00 C ATOM 598 C ASP A 39 -1.443 3.977 -10.348 1.00 0.00 C ATOM 599 O ASP A 39 -0.795 4.968 -10.013 1.00 0.00 O ATOM 600 CB ASP A 39 -2.664 3.205 -12.357 1.00 0.00 C ATOM 601 CG ASP A 39 -3.795 2.181 -12.465 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.286 1.763 -11.395 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.144 1.840 -13.616 1.00 0.00 O ATOM 0 H ASP A 39 -2.022 6.008 -11.727 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.607 3.858 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.660 3.816 -13.260 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.713 2.672 -12.329 1.00 0.00 H new ATOM 608 N GLY A 40 -1.099 2.727 -10.069 1.00 0.00 N ATOM 609 CA GLY A 40 0.110 2.432 -9.321 1.00 0.00 C ATOM 610 C GLY A 40 1.273 3.308 -9.792 1.00 0.00 C ATOM 611 O GLY A 40 2.071 3.776 -8.981 1.00 0.00 O ATOM 0 H GLY A 40 -1.638 1.907 -10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.066 2.596 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.370 1.380 -9.442 1.00 0.00 H new ATOM 615 N GLU A 41 1.332 3.505 -11.101 1.00 0.00 N ATOM 616 CA GLU A 41 2.384 4.317 -11.690 1.00 0.00 C ATOM 617 C GLU A 41 2.189 5.789 -11.318 1.00 0.00 C ATOM 618 O GLU A 41 3.072 6.406 -10.725 1.00 0.00 O ATOM 619 CB GLU A 41 2.432 4.136 -13.207 1.00 0.00 C ATOM 620 CG GLU A 41 2.906 5.416 -13.898 1.00 0.00 C ATOM 621 CD GLU A 41 3.653 5.096 -15.195 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.054 4.390 -16.034 1.00 0.00 O ATOM 623 OE2 GLU A 41 4.805 5.565 -15.317 1.00 0.00 O ATOM 0 H GLU A 41 0.668 3.116 -11.771 1.00 0.00 H new ATOM 0 HA GLU A 41 3.341 3.985 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.102 3.314 -13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.443 3.864 -13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.050 6.054 -14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.558 5.975 -13.227 1.00 0.00 H new ATOM 630 N GLN A 42 1.025 6.309 -11.684 1.00 0.00 N ATOM 631 CA GLN A 42 0.703 7.696 -11.398 1.00 0.00 C ATOM 632 C GLN A 42 0.741 7.949 -9.889 1.00 0.00 C ATOM 633 O GLN A 42 1.266 8.966 -9.439 1.00 0.00 O ATOM 634 CB GLN A 42 -0.659 8.074 -11.982 1.00 0.00 C ATOM 635 CG GLN A 42 -0.601 9.441 -12.668 1.00 0.00 C ATOM 636 CD GLN A 42 -1.041 9.341 -14.130 1.00 0.00 C ATOM 637 OE1 GLN A 42 -0.270 9.015 -15.017 1.00 0.00 O ATOM 638 NE2 GLN A 42 -2.322 9.639 -14.330 1.00 0.00 N ATOM 0 H GLN A 42 0.295 5.794 -12.176 1.00 0.00 H new ATOM 0 HA GLN A 42 1.453 8.328 -11.872 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.974 7.316 -12.699 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.406 8.093 -11.189 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.243 10.145 -12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.414 9.835 -12.616 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.913 9.905 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.713 9.602 -15.271 1.00 0.00 H new ATOM 647 N GLY A 43 0.176 7.006 -9.148 1.00 0.00 N ATOM 648 CA GLY A 43 0.139 7.114 -7.700 1.00 0.00 C ATOM 649 C GLY A 43 1.529 6.900 -7.098 1.00 0.00 C ATOM 650 O GLY A 43 1.818 7.383 -6.005 1.00 0.00 O ATOM 0 H GLY A 43 -0.260 6.164 -9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.237 8.096 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.554 6.377 -7.294 1.00 0.00 H new ATOM 654 N MET A 44 2.354 6.173 -7.838 1.00 0.00 N ATOM 655 CA MET A 44 3.706 5.888 -7.391 1.00 0.00 C ATOM 656 C MET A 44 4.562 7.156 -7.390 1.00 0.00 C ATOM 657 O MET A 44 5.246 7.448 -6.410 1.00 0.00 O ATOM 658 CB MET A 44 4.340 4.845 -8.314 1.00 0.00 C ATOM 659 CG MET A 44 5.867 4.916 -8.254 1.00 0.00 C ATOM 660 SD MET A 44 6.430 4.591 -6.591 1.00 0.00 S ATOM 661 CE MET A 44 8.137 5.089 -6.738 1.00 0.00 C ATOM 0 H MET A 44 2.111 5.773 -8.744 1.00 0.00 H new ATOM 0 HA MET A 44 3.658 5.504 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.007 3.848 -8.025 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.005 5.009 -9.338 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.300 4.190 -8.942 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.206 5.901 -8.575 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.750 4.491 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.473 4.937 -7.764 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.232 6.143 -6.477 1.00 0.00 H new ATOM 671 N LYS A 45 4.496 7.877 -8.501 1.00 0.00 N ATOM 672 CA LYS A 45 5.256 9.108 -8.641 1.00 0.00 C ATOM 673 C LYS A 45 4.639 10.187 -7.749 1.00 0.00 C ATOM 674 O LYS A 45 5.356 10.971 -7.130 1.00 0.00 O ATOM 675 CB LYS A 45 5.358 9.510 -10.113 1.00 0.00 C ATOM 676 CG LYS A 45 3.970 9.722 -10.721 1.00 0.00 C ATOM 677 CD LYS A 45 3.889 9.118 -12.124 1.00 0.00 C ATOM 678 CE LYS A 45 5.052 9.596 -12.996 1.00 0.00 C ATOM 679 NZ LYS A 45 4.584 10.596 -13.982 1.00 0.00 N ATOM 0 H LYS A 45 3.928 7.632 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 45 6.282 8.963 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.942 10.426 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.888 8.737 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.215 9.266 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.748 10.788 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.904 8.030 -12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.943 9.396 -12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.830 10.032 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.499 8.747 -13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.386 10.910 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.858 10.169 -14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.179 11.413 -13.482 1.00 0.00 H new ATOM 693 N ILE A 46 3.315 10.194 -7.713 1.00 0.00 N ATOM 694 CA ILE A 46 2.592 11.165 -6.908 1.00 0.00 C ATOM 695 C ILE A 46 2.895 10.920 -5.429 1.00 0.00 C ATOM 696 O ILE A 46 2.965 11.862 -4.642 1.00 0.00 O ATOM 697 CB ILE A 46 1.099 11.134 -7.243 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.782 12.061 -8.417 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.254 11.459 -6.010 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.356 11.510 -9.723 1.00 0.00 C ATOM 0 H ILE A 46 2.723 9.543 -8.228 1.00 0.00 H new ATOM 0 HA ILE A 46 2.926 12.176 -7.140 1.00 0.00 H new ATOM 0 HB ILE A 46 0.839 10.122 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.298 12.178 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.194 13.051 -8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.803 11.430 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.452 10.725 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.510 12.454 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.116 12.189 -10.541 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.438 11.417 -9.634 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.924 10.530 -9.926 1.00 0.00 H new ATOM 712 N MET A 47 3.068 9.649 -5.094 1.00 0.00 N ATOM 713 CA MET A 47 3.363 9.269 -3.723 1.00 0.00 C ATOM 714 C MET A 47 4.839 9.502 -3.395 1.00 0.00 C ATOM 715 O MET A 47 5.167 10.039 -2.338 1.00 0.00 O ATOM 716 CB MET A 47 3.020 7.793 -3.518 1.00 0.00 C ATOM 717 CG MET A 47 3.848 7.191 -2.381 1.00 0.00 C ATOM 718 SD MET A 47 4.514 5.612 -2.880 1.00 0.00 S ATOM 719 CE MET A 47 6.057 6.141 -3.603 1.00 0.00 C ATOM 0 H MET A 47 3.009 8.869 -5.749 1.00 0.00 H new ATOM 0 HA MET A 47 2.761 9.887 -3.056 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.958 7.690 -3.293 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.206 7.241 -4.440 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.659 7.868 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.227 7.069 -1.493 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.808 5.363 -3.467 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.915 6.326 -4.668 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.392 7.057 -3.117 1.00 0.00 H new ATOM 729 N ALA A 48 5.691 9.085 -4.321 1.00 0.00 N ATOM 730 CA ALA A 48 7.124 9.242 -4.142 1.00 0.00 C ATOM 731 C ALA A 48 7.471 10.732 -4.115 1.00 0.00 C ATOM 732 O ALA A 48 8.291 11.167 -3.307 1.00 0.00 O ATOM 733 CB ALA A 48 7.861 8.491 -5.254 1.00 0.00 C ATOM 0 H ALA A 48 5.416 8.639 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 48 7.442 8.813 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.937 8.608 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.603 7.433 -5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.569 8.897 -6.223 1.00 0.00 H new ATOM 739 N GLN A 49 6.831 11.473 -5.008 1.00 0.00 N ATOM 740 CA GLN A 49 7.062 12.905 -5.096 1.00 0.00 C ATOM 741 C GLN A 49 6.837 13.563 -3.734 1.00 0.00 C ATOM 742 O GLN A 49 7.310 14.672 -3.491 1.00 0.00 O ATOM 743 CB GLN A 49 6.169 13.538 -6.165 1.00 0.00 C ATOM 744 CG GLN A 49 6.905 13.643 -7.502 1.00 0.00 C ATOM 745 CD GLN A 49 7.724 14.933 -7.578 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.607 15.822 -6.751 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.556 14.985 -8.614 1.00 0.00 N ATOM 0 H GLN A 49 6.153 11.109 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 49 8.099 13.070 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.265 12.941 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.854 14.530 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.563 12.783 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.185 13.616 -8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.604 14.205 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.146 15.805 -8.753 1.00 0.00 H new ATOM 756 N ASN A 50 6.117 12.852 -2.879 1.00 0.00 N ATOM 757 CA ASN A 50 5.824 13.353 -1.547 1.00 0.00 C ATOM 758 C ASN A 50 6.033 12.233 -0.527 1.00 0.00 C ATOM 759 O ASN A 50 6.478 11.142 -0.881 1.00 0.00 O ATOM 760 CB ASN A 50 4.372 13.824 -1.443 1.00 0.00 C ATOM 761 CG ASN A 50 3.747 13.988 -2.829 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.380 14.426 -3.776 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.473 13.612 -2.897 1.00 0.00 N ATOM 0 H ASN A 50 5.727 11.932 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 50 6.490 14.193 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.794 13.105 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.331 14.773 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.967 13.682 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.002 13.254 -2.066 1.00 0.00 H new ATOM 770 N PRO A 51 5.692 12.547 0.751 1.00 0.00 N ATOM 771 CA PRO A 51 5.837 11.579 1.824 1.00 0.00 C ATOM 772 C PRO A 51 4.738 10.517 1.757 1.00 0.00 C ATOM 773 O PRO A 51 3.626 10.795 1.313 1.00 0.00 O ATOM 774 CB PRO A 51 5.792 12.400 3.103 1.00 0.00 C ATOM 775 CG PRO A 51 5.160 13.729 2.723 1.00 0.00 C ATOM 776 CD PRO A 51 5.161 13.829 1.207 1.00 0.00 C ATOM 0 HA PRO A 51 6.768 11.016 1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.207 11.895 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.793 12.545 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.143 13.792 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.719 14.556 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.156 14.001 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.780 14.658 0.865 1.00 0.00 H new ATOM 784 N HIS A 52 5.089 9.320 2.205 1.00 0.00 N ATOM 785 CA HIS A 52 4.147 8.213 2.201 1.00 0.00 C ATOM 786 C HIS A 52 4.673 7.088 3.093 1.00 0.00 C ATOM 787 O HIS A 52 5.872 7.009 3.357 1.00 0.00 O ATOM 788 CB HIS A 52 3.857 7.752 0.771 1.00 0.00 C ATOM 789 CG HIS A 52 5.005 7.019 0.119 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.115 7.667 -0.392 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.201 5.686 -0.100 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.936 6.757 -0.894 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.369 5.530 -0.712 1.00 0.00 N ATOM 0 H HIS A 52 6.013 9.093 2.573 1.00 0.00 H new ATOM 0 HA HIS A 52 3.193 8.540 2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.982 7.102 0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.602 8.621 0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.522 4.893 0.177 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.888 6.952 -1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.775 4.639 -0.999 1.00 0.00 H new ATOM 802 N HIS A 53 3.750 6.244 3.532 1.00 0.00 N ATOM 803 CA HIS A 53 4.107 5.126 4.389 1.00 0.00 C ATOM 804 C HIS A 53 3.197 3.935 4.083 1.00 0.00 C ATOM 805 O HIS A 53 3.141 2.977 4.854 1.00 0.00 O ATOM 806 CB HIS A 53 4.070 5.537 5.862 1.00 0.00 C ATOM 807 CG HIS A 53 4.485 4.442 6.816 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.575 3.610 7.444 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.722 4.052 7.240 1.00 0.00 C ATOM 810 CE1 HIS A 53 4.245 2.761 8.211 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.574 3.037 8.083 1.00 0.00 N ATOM 0 H HIS A 53 2.757 6.312 3.310 1.00 0.00 H new ATOM 0 HA HIS A 53 5.132 4.818 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.724 6.397 6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.060 5.860 6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.661 4.494 6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.814 1.987 8.829 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.331 2.544 8.557 1.00 0.00 H new ATOM 820 N LEU A 54 2.506 4.032 2.956 1.00 0.00 N ATOM 821 CA LEU A 54 1.601 2.976 2.540 1.00 0.00 C ATOM 822 C LEU A 54 1.380 3.066 1.028 1.00 0.00 C ATOM 823 O LEU A 54 1.140 4.149 0.496 1.00 0.00 O ATOM 824 CB LEU A 54 0.307 3.024 3.354 1.00 0.00 C ATOM 825 CG LEU A 54 0.201 2.023 4.507 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.112 2.744 5.853 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.970 1.063 4.292 1.00 0.00 C ATOM 0 H LEU A 54 2.556 4.827 2.319 1.00 0.00 H new ATOM 0 HA LEU A 54 2.040 1.999 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.194 4.029 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.531 2.858 2.677 1.00 0.00 H new ATOM 0 HG LEU A 54 1.111 1.423 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.038 2.010 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.005 3.352 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.770 3.385 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.023 0.362 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.899 1.630 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.823 0.512 3.363 1.00 0.00 H new ATOM 839 N VAL A 55 1.468 1.915 0.379 1.00 0.00 N ATOM 840 CA VAL A 55 1.281 1.851 -1.061 1.00 0.00 C ATOM 841 C VAL A 55 0.349 0.686 -1.398 1.00 0.00 C ATOM 842 O VAL A 55 0.796 -0.453 -1.533 1.00 0.00 O ATOM 843 CB VAL A 55 2.637 1.754 -1.761 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.480 1.866 -3.279 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.605 2.812 -1.230 1.00 0.00 C ATOM 0 H VAL A 55 1.666 1.019 0.823 1.00 0.00 H new ATOM 0 HA VAL A 55 0.807 2.762 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 55 3.059 0.774 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.459 1.794 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.842 1.059 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.026 2.825 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.562 2.721 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.191 3.805 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.753 2.665 -0.160 1.00 0.00 H new ATOM 855 N ILE A 56 -0.929 1.009 -1.525 1.00 0.00 N ATOM 856 CA ILE A 56 -1.929 0.003 -1.843 1.00 0.00 C ATOM 857 C ILE A 56 -2.512 0.291 -3.228 1.00 0.00 C ATOM 858 O ILE A 56 -2.770 1.444 -3.569 1.00 0.00 O ATOM 859 CB ILE A 56 -2.981 -0.076 -0.736 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.270 0.633 -1.154 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.431 0.466 0.584 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.175 -0.302 -1.960 1.00 0.00 C ATOM 0 H ILE A 56 -1.296 1.954 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.474 -0.986 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.228 -1.125 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.800 0.983 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.028 1.513 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.200 0.398 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.563 -0.121 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.138 1.508 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.084 0.228 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.651 -0.631 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.435 -1.169 -1.353 1.00 0.00 H new ATOM 874 N SER A 57 -2.703 -0.777 -3.988 1.00 0.00 N ATOM 875 CA SER A 57 -3.250 -0.654 -5.328 1.00 0.00 C ATOM 876 C SER A 57 -4.149 -1.853 -5.638 1.00 0.00 C ATOM 877 O SER A 57 -4.174 -2.826 -4.886 1.00 0.00 O ATOM 878 CB SER A 57 -2.137 -0.542 -6.371 1.00 0.00 C ATOM 879 OG SER A 57 -2.403 -1.335 -7.524 1.00 0.00 O ATOM 0 H SER A 57 -2.489 -1.732 -3.701 1.00 0.00 H new ATOM 0 HA SER A 57 -3.844 0.259 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.022 0.501 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.192 -0.854 -5.927 1.00 0.00 H new ATOM 0 HG SER A 57 -1.670 -1.235 -8.166 1.00 0.00 H new ATOM 885 N ASP A 58 -4.865 -1.743 -6.748 1.00 0.00 N ATOM 886 CA ASP A 58 -5.763 -2.806 -7.167 1.00 0.00 C ATOM 887 C ASP A 58 -5.057 -3.687 -8.200 1.00 0.00 C ATOM 888 O ASP A 58 -3.863 -3.524 -8.447 1.00 0.00 O ATOM 889 CB ASP A 58 -7.026 -2.237 -7.815 1.00 0.00 C ATOM 890 CG ASP A 58 -8.342 -2.804 -7.278 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.338 -3.229 -6.102 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.321 -2.800 -8.055 1.00 0.00 O ATOM 0 H ASP A 58 -4.841 -0.935 -7.369 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.039 -3.381 -6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.031 -1.156 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.980 -2.421 -8.888 1.00 0.00 H new ATOM 897 N PHE A 59 -5.824 -4.600 -8.776 1.00 0.00 N ATOM 898 CA PHE A 59 -5.288 -5.506 -9.776 1.00 0.00 C ATOM 899 C PHE A 59 -5.982 -5.308 -11.125 1.00 0.00 C ATOM 900 O PHE A 59 -5.902 -6.168 -12.001 1.00 0.00 O ATOM 901 CB PHE A 59 -5.557 -6.929 -9.282 1.00 0.00 C ATOM 902 CG PHE A 59 -6.963 -7.135 -8.715 1.00 0.00 C ATOM 903 CD1 PHE A 59 -7.996 -6.374 -9.166 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.181 -8.080 -7.762 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.301 -6.564 -8.640 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.486 -8.272 -7.236 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.519 -7.509 -7.687 1.00 0.00 C ATOM 0 H PHE A 59 -6.814 -4.732 -8.569 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.223 -5.318 -9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.404 -7.624 -10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.826 -7.180 -8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.824 -5.625 -9.925 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.361 -8.685 -7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.121 -5.958 -8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.659 -9.023 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.512 -7.654 -7.288 1.00 0.00 H new ATOM 917 N ASN A 60 -6.648 -4.170 -11.250 1.00 0.00 N ATOM 918 CA ASN A 60 -7.355 -3.847 -12.477 1.00 0.00 C ATOM 919 C ASN A 60 -6.359 -3.794 -13.637 1.00 0.00 C ATOM 920 O ASN A 60 -6.235 -4.753 -14.397 1.00 0.00 O ATOM 921 CB ASN A 60 -8.037 -2.482 -12.377 1.00 0.00 C ATOM 922 CG ASN A 60 -9.560 -2.625 -12.414 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.240 -2.563 -11.403 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.056 -2.819 -13.633 1.00 0.00 N ATOM 0 H ASN A 60 -6.713 -3.460 -10.521 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.110 -4.616 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.737 -1.989 -11.452 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.708 -1.846 -13.199 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.062 -2.926 -13.763 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.430 -2.861 -14.437 1.00 0.00 H new ATOM 931 N MET A 61 -5.673 -2.665 -13.736 1.00 0.00 N ATOM 932 CA MET A 61 -4.692 -2.474 -14.790 1.00 0.00 C ATOM 933 C MET A 61 -3.658 -1.419 -14.391 1.00 0.00 C ATOM 934 O MET A 61 -3.347 -0.524 -15.174 1.00 0.00 O ATOM 935 CB MET A 61 -5.400 -2.036 -16.073 1.00 0.00 C ATOM 936 CG MET A 61 -6.833 -2.570 -16.119 1.00 0.00 C ATOM 937 SD MET A 61 -7.692 -1.894 -17.529 1.00 0.00 S ATOM 938 CE MET A 61 -7.121 -3.007 -18.803 1.00 0.00 C ATOM 0 H MET A 61 -5.778 -1.872 -13.103 1.00 0.00 H new ATOM 0 HA MET A 61 -4.174 -3.419 -14.955 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.412 -0.948 -16.133 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.846 -2.397 -16.940 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.822 -3.658 -16.177 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.358 -2.305 -15.201 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.565 -2.725 -19.758 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.035 -2.949 -18.877 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.414 -4.027 -18.553 1.00 0.00 H new ATOM 948 N PRO A 62 -3.139 -1.565 -13.143 1.00 0.00 N ATOM 949 CA PRO A 62 -2.147 -0.636 -12.631 1.00 0.00 C ATOM 950 C PRO A 62 -0.779 -0.892 -13.265 1.00 0.00 C ATOM 951 O PRO A 62 -0.362 -2.040 -13.410 1.00 0.00 O ATOM 952 CB PRO A 62 -2.152 -0.845 -11.125 1.00 0.00 C ATOM 953 CG PRO A 62 -2.803 -2.198 -10.895 1.00 0.00 C ATOM 954 CD PRO A 62 -3.484 -2.615 -12.187 1.00 0.00 C ATOM 0 HA PRO A 62 -2.376 0.401 -12.876 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.138 -0.826 -10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.708 -0.053 -10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.056 -2.936 -10.602 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.528 -2.139 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.131 -3.589 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.563 -2.694 -12.058 1.00 0.00 H new ATOM 962 N LYS A 63 -0.117 0.198 -13.627 1.00 0.00 N ATOM 963 CA LYS A 63 1.196 0.106 -14.242 1.00 0.00 C ATOM 964 C LYS A 63 2.240 -0.193 -13.165 1.00 0.00 C ATOM 965 O LYS A 63 3.334 -0.666 -13.470 1.00 0.00 O ATOM 966 CB LYS A 63 1.496 1.367 -15.056 1.00 0.00 C ATOM 967 CG LYS A 63 0.724 1.363 -16.377 1.00 0.00 C ATOM 968 CD LYS A 63 1.110 0.157 -17.235 1.00 0.00 C ATOM 969 CE LYS A 63 1.070 0.508 -18.723 1.00 0.00 C ATOM 970 NZ LYS A 63 2.436 0.518 -19.291 1.00 0.00 N ATOM 0 H LYS A 63 -0.466 1.149 -13.506 1.00 0.00 H new ATOM 0 HA LYS A 63 1.226 -0.720 -14.953 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.228 2.251 -14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.566 1.429 -15.256 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.347 1.343 -16.176 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.928 2.283 -16.924 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.110 -0.181 -16.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.429 -0.670 -17.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.453 -0.215 -19.257 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.606 1.485 -18.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.390 0.758 -20.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.014 1.225 -18.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.866 -0.422 -19.178 1.00 0.00 H new ATOM 984 N MET A 64 1.867 0.096 -11.927 1.00 0.00 N ATOM 985 CA MET A 64 2.757 -0.136 -10.803 1.00 0.00 C ATOM 986 C MET A 64 2.019 -0.818 -9.650 1.00 0.00 C ATOM 987 O MET A 64 1.618 -0.162 -8.690 1.00 0.00 O ATOM 988 CB MET A 64 3.332 1.198 -10.323 1.00 0.00 C ATOM 989 CG MET A 64 4.835 1.084 -10.057 1.00 0.00 C ATOM 990 SD MET A 64 5.751 1.639 -11.484 1.00 0.00 S ATOM 991 CE MET A 64 6.364 0.074 -12.087 1.00 0.00 C ATOM 0 H MET A 64 0.959 0.489 -11.678 1.00 0.00 H new ATOM 0 HA MET A 64 3.563 -0.792 -11.132 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.149 1.968 -11.073 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.821 1.512 -9.413 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.105 1.682 -9.186 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.095 0.051 -9.827 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.856 0.222 -13.048 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.078 -0.337 -11.373 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.532 -0.620 -12.208 1.00 0.00 H new ATOM 1001 N ASP A 65 1.860 -2.127 -9.783 1.00 0.00 N ATOM 1002 CA ASP A 65 1.176 -2.906 -8.764 1.00 0.00 C ATOM 1003 C ASP A 65 2.115 -3.120 -7.575 1.00 0.00 C ATOM 1004 O ASP A 65 3.289 -2.755 -7.634 1.00 0.00 O ATOM 1005 CB ASP A 65 0.771 -4.279 -9.300 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.113 -5.105 -8.362 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -1.039 -4.502 -7.777 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.158 -6.320 -8.250 1.00 0.00 O ATOM 0 H ASP A 65 2.193 -2.668 -10.581 1.00 0.00 H new ATOM 0 HA ASP A 65 0.282 -2.358 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.244 -4.143 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.675 -4.848 -9.518 1.00 0.00 H new ATOM 1013 N GLY A 66 1.565 -3.711 -6.525 1.00 0.00 N ATOM 1014 CA GLY A 66 2.339 -3.978 -5.325 1.00 0.00 C ATOM 1015 C GLY A 66 3.803 -4.264 -5.669 1.00 0.00 C ATOM 1016 O GLY A 66 4.700 -3.552 -5.221 1.00 0.00 O ATOM 0 H GLY A 66 0.592 -4.013 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.280 -3.122 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.913 -4.830 -4.795 1.00 0.00 H new ATOM 1020 N LEU A 67 3.998 -5.307 -6.462 1.00 0.00 N ATOM 1021 CA LEU A 67 5.336 -5.696 -6.872 1.00 0.00 C ATOM 1022 C LEU A 67 6.004 -4.523 -7.593 1.00 0.00 C ATOM 1023 O LEU A 67 7.156 -4.193 -7.315 1.00 0.00 O ATOM 1024 CB LEU A 67 5.291 -6.982 -7.699 1.00 0.00 C ATOM 1025 CG LEU A 67 4.752 -8.221 -6.982 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.530 -9.474 -7.393 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.750 -8.020 -5.466 1.00 0.00 C ATOM 0 H LEU A 67 3.251 -5.895 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 67 5.950 -5.927 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.678 -6.802 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.299 -7.200 -8.051 1.00 0.00 H new ATOM 0 HG LEU A 67 3.716 -8.369 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.127 -10.341 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.436 -9.624 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.582 -9.350 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.362 -8.916 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.767 -7.833 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.119 -7.168 -5.213 1.00 0.00 H new ATOM 1039 N GLY A 68 5.253 -3.927 -8.508 1.00 0.00 N ATOM 1040 CA GLY A 68 5.758 -2.799 -9.272 1.00 0.00 C ATOM 1041 C GLY A 68 6.299 -1.707 -8.345 1.00 0.00 C ATOM 1042 O GLY A 68 7.382 -1.172 -8.576 1.00 0.00 O ATOM 0 H GLY A 68 4.299 -4.204 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.548 -3.135 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.962 -2.391 -9.895 1.00 0.00 H new ATOM 1046 N LEU A 69 5.518 -1.409 -7.317 1.00 0.00 N ATOM 1047 CA LEU A 69 5.904 -0.391 -6.355 1.00 0.00 C ATOM 1048 C LEU A 69 7.183 -0.831 -5.639 1.00 0.00 C ATOM 1049 O LEU A 69 8.062 -0.012 -5.372 1.00 0.00 O ATOM 1050 CB LEU A 69 4.744 -0.083 -5.407 1.00 0.00 C ATOM 1051 CG LEU A 69 3.420 0.305 -6.069 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.251 -0.456 -5.443 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.208 1.819 -6.027 1.00 0.00 C ATOM 0 H LEU A 69 4.620 -1.855 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 69 6.129 0.547 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.571 -0.958 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.048 0.728 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 69 3.466 0.017 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.322 -0.162 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.404 -1.528 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.192 -0.222 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.260 2.067 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.192 2.155 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.021 2.315 -6.557 1.00 0.00 H new ATOM 1065 N LEU A 70 7.247 -2.122 -5.348 1.00 0.00 N ATOM 1066 CA LEU A 70 8.404 -2.679 -4.669 1.00 0.00 C ATOM 1067 C LEU A 70 9.649 -2.468 -5.532 1.00 0.00 C ATOM 1068 O LEU A 70 10.674 -1.997 -5.044 1.00 0.00 O ATOM 1069 CB LEU A 70 8.154 -4.144 -4.299 1.00 0.00 C ATOM 1070 CG LEU A 70 8.979 -5.179 -5.066 1.00 0.00 C ATOM 1071 CD1 LEU A 70 10.475 -4.984 -4.816 1.00 0.00 C ATOM 1072 CD2 LEU A 70 8.522 -6.600 -4.732 1.00 0.00 C ATOM 0 H LEU A 70 6.516 -2.798 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 70 8.578 -2.160 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.351 -4.268 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.098 -4.362 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 70 8.810 -5.028 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.038 -5.733 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.772 -3.988 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.683 -5.092 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.124 -7.317 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.642 -6.779 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.473 -6.718 -5.004 1.00 0.00 H new ATOM 1084 N GLN A 71 9.518 -2.825 -6.802 1.00 0.00 N ATOM 1085 CA GLN A 71 10.619 -2.680 -7.737 1.00 0.00 C ATOM 1086 C GLN A 71 11.097 -1.227 -7.774 1.00 0.00 C ATOM 1087 O GLN A 71 12.288 -0.965 -7.927 1.00 0.00 O ATOM 1088 CB GLN A 71 10.219 -3.161 -9.134 1.00 0.00 C ATOM 1089 CG GLN A 71 10.122 -4.687 -9.181 1.00 0.00 C ATOM 1090 CD GLN A 71 10.410 -5.211 -10.590 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.493 -5.052 -11.130 1.00 0.00 O ATOM 1092 NE2 GLN A 71 9.383 -5.842 -11.152 1.00 0.00 N ATOM 0 H GLN A 71 8.665 -3.214 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 71 11.444 -3.305 -7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.260 -2.723 -9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.951 -2.817 -9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.830 -5.122 -8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.126 -5.002 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.504 -5.940 -10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.474 -6.228 -12.092 1.00 0.00 H new ATOM 1101 N ALA A 72 10.142 -0.320 -7.631 1.00 0.00 N ATOM 1102 CA ALA A 72 10.449 1.100 -7.645 1.00 0.00 C ATOM 1103 C ALA A 72 11.261 1.454 -6.397 1.00 0.00 C ATOM 1104 O ALA A 72 12.262 2.164 -6.484 1.00 0.00 O ATOM 1105 CB ALA A 72 9.151 1.903 -7.743 1.00 0.00 C ATOM 0 H ALA A 72 9.154 -0.541 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 72 11.054 1.353 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.382 2.968 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.627 1.636 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.518 1.677 -6.885 1.00 0.00 H new ATOM 1111 N VAL A 73 10.800 0.944 -5.265 1.00 0.00 N ATOM 1112 CA VAL A 73 11.471 1.197 -4.001 1.00 0.00 C ATOM 1113 C VAL A 73 12.930 0.749 -4.105 1.00 0.00 C ATOM 1114 O VAL A 73 13.820 1.385 -3.542 1.00 0.00 O ATOM 1115 CB VAL A 73 10.714 0.512 -2.861 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.203 0.669 -3.035 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.105 -0.963 -2.752 1.00 0.00 C ATOM 0 H VAL A 73 9.969 0.356 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 73 11.474 2.264 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 73 10.996 1.002 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.689 0.173 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.945 1.728 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.897 0.218 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.553 -1.426 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.866 -1.473 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.175 -1.042 -2.558 1.00 0.00 H new ATOM 1127 N ARG A 74 13.131 -0.342 -4.829 1.00 0.00 N ATOM 1128 CA ARG A 74 14.467 -0.883 -5.013 1.00 0.00 C ATOM 1129 C ARG A 74 15.361 0.141 -5.716 1.00 0.00 C ATOM 1130 O ARG A 74 16.586 0.025 -5.686 1.00 0.00 O ATOM 1131 CB ARG A 74 14.431 -2.170 -5.839 1.00 0.00 C ATOM 1132 CG ARG A 74 14.107 -3.379 -4.958 1.00 0.00 C ATOM 1133 CD ARG A 74 14.805 -4.637 -5.476 1.00 0.00 C ATOM 1134 NE ARG A 74 13.895 -5.388 -6.370 1.00 0.00 N ATOM 1135 CZ ARG A 74 14.308 -6.269 -7.292 1.00 0.00 C ATOM 1136 NH1 ARG A 74 15.616 -6.514 -7.447 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.411 -6.904 -8.061 1.00 0.00 N ATOM 0 H ARG A 74 12.391 -0.866 -5.295 1.00 0.00 H new ATOM 0 HA ARG A 74 14.872 -1.109 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.684 -2.079 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.394 -2.319 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.420 -3.181 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.029 -3.539 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.713 -4.364 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.107 -5.266 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 74 12.892 -5.225 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.298 -6.030 -6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.930 -7.185 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.415 -6.716 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.725 -7.574 -8.763 1.00 0.00 H new ATOM 1151 N ALA A 75 14.715 1.121 -6.330 1.00 0.00 N ATOM 1152 CA ALA A 75 15.436 2.164 -7.039 1.00 0.00 C ATOM 1153 C ALA A 75 15.394 3.455 -6.219 1.00 0.00 C ATOM 1154 O ALA A 75 16.236 4.334 -6.393 1.00 0.00 O ATOM 1155 CB ALA A 75 14.837 2.340 -8.436 1.00 0.00 C ATOM 0 H ALA A 75 13.700 1.215 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 75 16.483 1.888 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.378 3.123 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.919 1.403 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.787 2.620 -8.349 1.00 0.00 H new ATOM 1161 N ASN A 76 14.404 3.529 -5.341 1.00 0.00 N ATOM 1162 CA ASN A 76 14.240 4.697 -4.494 1.00 0.00 C ATOM 1163 C ASN A 76 14.002 4.245 -3.051 1.00 0.00 C ATOM 1164 O ASN A 76 12.975 3.643 -2.747 1.00 0.00 O ATOM 1165 CB ASN A 76 13.035 5.532 -4.933 1.00 0.00 C ATOM 1166 CG ASN A 76 13.325 7.027 -4.796 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.391 7.513 -5.139 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.320 7.729 -4.278 1.00 0.00 N ATOM 0 H ASN A 76 13.707 2.798 -5.198 1.00 0.00 H new ATOM 0 HA ASN A 76 15.144 5.301 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.785 5.300 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.167 5.270 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.416 8.736 -4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.454 7.260 -4.012 1.00 0.00 H new ATOM 1175 N PRO A 77 14.996 4.564 -2.179 1.00 0.00 N ATOM 1176 CA PRO A 77 14.905 4.199 -0.775 1.00 0.00 C ATOM 1177 C PRO A 77 13.918 5.104 -0.036 1.00 0.00 C ATOM 1178 O PRO A 77 13.628 4.882 1.139 1.00 0.00 O ATOM 1179 CB PRO A 77 16.326 4.311 -0.247 1.00 0.00 C ATOM 1180 CG PRO A 77 17.074 5.178 -1.245 1.00 0.00 C ATOM 1181 CD PRO A 77 16.227 5.278 -2.503 1.00 0.00 C ATOM 0 HA PRO A 77 14.518 3.191 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.339 4.759 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.789 3.328 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.257 6.168 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.047 4.744 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.025 6.317 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.733 4.828 -3.357 1.00 0.00 H new ATOM 1189 N ALA A 78 13.430 6.104 -0.754 1.00 0.00 N ATOM 1190 CA ALA A 78 12.482 7.044 -0.180 1.00 0.00 C ATOM 1191 C ALA A 78 11.146 6.335 0.056 1.00 0.00 C ATOM 1192 O ALA A 78 10.378 6.727 0.933 1.00 0.00 O ATOM 1193 CB ALA A 78 12.344 8.257 -1.102 1.00 0.00 C ATOM 0 H ALA A 78 13.673 6.284 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 78 12.837 7.407 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.633 8.962 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.314 8.742 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.987 7.932 -2.079 1.00 0.00 H new ATOM 1199 N THR A 79 10.911 5.305 -0.743 1.00 0.00 N ATOM 1200 CA THR A 79 9.683 4.538 -0.632 1.00 0.00 C ATOM 1201 C THR A 79 9.975 3.135 -0.098 1.00 0.00 C ATOM 1202 O THR A 79 9.083 2.290 -0.037 1.00 0.00 O ATOM 1203 CB THR A 79 9.001 4.536 -2.002 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.769 3.856 -1.777 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.733 3.657 -3.019 1.00 0.00 C ATOM 0 H THR A 79 11.550 4.984 -1.470 1.00 0.00 H new ATOM 0 HA THR A 79 9.000 4.989 0.088 1.00 0.00 H new ATOM 0 HB THR A 79 8.943 5.557 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.943 3.008 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.208 3.691 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.751 4.024 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.762 2.629 -2.657 1.00 0.00 H new ATOM 1213 N LYS A 80 11.229 2.928 0.276 1.00 0.00 N ATOM 1214 CA LYS A 80 11.651 1.642 0.803 1.00 0.00 C ATOM 1215 C LYS A 80 11.093 1.467 2.217 1.00 0.00 C ATOM 1216 O LYS A 80 11.130 0.369 2.771 1.00 0.00 O ATOM 1217 CB LYS A 80 13.173 1.503 0.722 1.00 0.00 C ATOM 1218 CG LYS A 80 13.861 2.379 1.771 1.00 0.00 C ATOM 1219 CD LYS A 80 14.589 1.522 2.808 1.00 0.00 C ATOM 1220 CE LYS A 80 13.598 0.703 3.637 1.00 0.00 C ATOM 1221 NZ LYS A 80 14.249 0.185 4.860 1.00 0.00 N ATOM 0 H LYS A 80 11.967 3.630 0.224 1.00 0.00 H new ATOM 0 HA LYS A 80 11.247 0.831 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.455 0.461 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.515 1.786 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.571 3.047 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.121 3.007 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.288 0.853 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.177 2.162 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.743 1.322 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.216 -0.127 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.562 -0.369 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.051 -0.422 4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.592 0.981 5.434 1.00 0.00 H new ATOM 1235 N LYS A 81 10.589 2.565 2.760 1.00 0.00 N ATOM 1236 CA LYS A 81 10.023 2.547 4.098 1.00 0.00 C ATOM 1237 C LYS A 81 8.497 2.593 4.003 1.00 0.00 C ATOM 1238 O LYS A 81 7.813 2.730 5.015 1.00 0.00 O ATOM 1239 CB LYS A 81 10.621 3.670 4.948 1.00 0.00 C ATOM 1240 CG LYS A 81 10.156 5.041 4.450 1.00 0.00 C ATOM 1241 CD LYS A 81 11.314 5.818 3.821 1.00 0.00 C ATOM 1242 CE LYS A 81 12.408 6.102 4.852 1.00 0.00 C ATOM 1243 NZ LYS A 81 13.272 7.214 4.399 1.00 0.00 N ATOM 0 H LYS A 81 10.561 3.474 2.297 1.00 0.00 H new ATOM 0 HA LYS A 81 10.282 1.620 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.327 3.539 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.709 3.617 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.358 4.915 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.739 5.611 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.731 5.248 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.945 6.757 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.955 6.353 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.010 5.207 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.009 7.393 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.718 6.960 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.697 8.071 4.273 1.00 0.00 H new ATOM 1257 N ALA A 82 8.009 2.476 2.777 1.00 0.00 N ATOM 1258 CA ALA A 82 6.576 2.502 2.537 1.00 0.00 C ATOM 1259 C ALA A 82 6.075 1.076 2.304 1.00 0.00 C ATOM 1260 O ALA A 82 6.615 0.354 1.467 1.00 0.00 O ATOM 1261 CB ALA A 82 6.274 3.427 1.355 1.00 0.00 C ATOM 0 H ALA A 82 8.580 2.363 1.939 1.00 0.00 H new ATOM 0 HA ALA A 82 6.049 2.898 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.199 3.447 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.623 4.434 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.785 3.059 0.465 1.00 0.00 H new ATOM 1267 N ALA A 83 5.051 0.712 3.060 1.00 0.00 N ATOM 1268 CA ALA A 83 4.472 -0.616 2.947 1.00 0.00 C ATOM 1269 C ALA A 83 3.362 -0.596 1.895 1.00 0.00 C ATOM 1270 O ALA A 83 2.401 0.162 2.014 1.00 0.00 O ATOM 1271 CB ALA A 83 3.967 -1.072 4.318 1.00 0.00 C ATOM 0 H ALA A 83 4.607 1.313 3.754 1.00 0.00 H new ATOM 0 HA ALA A 83 5.223 -1.335 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.533 -2.068 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.799 -1.098 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.209 -0.375 4.677 1.00 0.00 H new ATOM 1277 N PHE A 84 3.531 -1.439 0.886 1.00 0.00 N ATOM 1278 CA PHE A 84 2.556 -1.527 -0.187 1.00 0.00 C ATOM 1279 C PHE A 84 1.603 -2.704 0.033 1.00 0.00 C ATOM 1280 O PHE A 84 1.987 -3.718 0.615 1.00 0.00 O ATOM 1281 CB PHE A 84 3.336 -1.754 -1.483 1.00 0.00 C ATOM 1282 CG PHE A 84 4.856 -1.734 -1.306 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.496 -0.562 -1.052 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.567 -2.890 -1.403 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.906 -0.543 -0.887 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.977 -2.872 -1.238 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.616 -1.698 -0.985 1.00 0.00 C ATOM 0 H PHE A 84 4.329 -2.067 0.790 1.00 0.00 H new ATOM 0 HA PHE A 84 1.961 -0.614 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.043 -2.714 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.054 -0.986 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.931 0.356 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.059 -3.821 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.414 0.388 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.542 -3.789 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.689 -1.684 -0.862 1.00 0.00 H new ATOM 1297 N ILE A 85 0.379 -2.530 -0.444 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.631 -3.566 -0.306 1.00 0.00 C ATOM 1299 C ILE A 85 -1.112 -3.990 -1.695 1.00 0.00 C ATOM 1300 O ILE A 85 -1.357 -3.147 -2.557 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.757 -3.096 0.617 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.587 -3.670 2.025 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.128 -3.430 0.024 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.245 -2.566 3.028 1.00 0.00 C ATOM 0 H ILE A 85 0.064 -1.688 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.208 -4.451 0.170 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.698 -2.011 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.505 -4.172 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.798 -4.422 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.911 -3.085 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.238 -2.935 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.214 -4.508 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.129 -3.000 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.314 -2.082 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.048 -1.829 3.045 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.233 -5.299 -1.870 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.680 -5.846 -3.140 1.00 0.00 C ATOM 1318 C ILE A 86 -2.750 -6.910 -2.884 1.00 0.00 C ATOM 1319 O ILE A 86 -2.454 -7.974 -2.343 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.488 -6.356 -3.953 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.750 -6.220 -5.454 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.132 -7.791 -3.562 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -1.712 -7.304 -5.943 1.00 0.00 C ATOM 0 H ILE A 86 -1.029 -5.996 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.142 -5.068 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 86 0.376 -5.734 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.167 -5.236 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.191 -6.291 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.718 -8.129 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.126 -7.826 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.986 -8.442 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.881 -7.184 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.281 -8.287 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.661 -7.215 -5.413 1.00 0.00 H new ATOM 1335 N LEU A 87 -3.971 -6.584 -3.283 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.086 -7.497 -3.104 1.00 0.00 C ATOM 1337 C LEU A 87 -5.287 -8.309 -4.385 1.00 0.00 C ATOM 1338 O LEU A 87 -5.339 -7.746 -5.478 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.335 -6.737 -2.655 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.452 -6.610 -3.693 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -6.964 -5.865 -4.937 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.035 -7.982 -4.040 1.00 0.00 C ATOM 0 H LEU A 87 -4.212 -5.699 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.871 -8.208 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.740 -7.233 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.036 -5.735 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.256 -6.017 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.778 -5.789 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.634 -4.865 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.132 -6.409 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.827 -7.864 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.250 -8.619 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.444 -8.442 -3.140 1.00 0.00 H new ATOM 1354 N THR A 88 -5.393 -9.618 -4.209 1.00 0.00 N ATOM 1355 CA THR A 88 -5.587 -10.511 -5.338 1.00 0.00 C ATOM 1356 C THR A 88 -6.364 -11.757 -4.905 1.00 0.00 C ATOM 1357 O THR A 88 -6.440 -12.063 -3.716 1.00 0.00 O ATOM 1358 CB THR A 88 -4.213 -10.829 -5.932 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.417 -12.040 -6.652 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.185 -11.200 -4.861 1.00 0.00 C ATOM 0 H THR A 88 -5.348 -10.081 -3.301 1.00 0.00 H new ATOM 0 HA THR A 88 -6.192 -10.041 -6.114 1.00 0.00 H new ATOM 0 HB THR A 88 -3.854 -9.969 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.206 -11.897 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.228 -11.416 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.066 -10.368 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.528 -12.080 -4.317 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.921 -12.440 -5.894 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.689 -13.645 -5.631 1.00 0.00 C ATOM 1370 C ALA A 89 -6.732 -14.809 -5.373 1.00 0.00 C ATOM 1371 O ALA A 89 -6.986 -15.935 -5.800 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.634 -13.916 -6.803 1.00 0.00 C ATOM 0 H ALA A 89 -6.856 -12.182 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.304 -13.520 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.210 -14.820 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.314 -13.073 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.053 -14.049 -7.716 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.648 -14.500 -4.675 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.651 -15.507 -4.356 1.00 0.00 C ATOM 1380 C GLN A 90 -4.411 -15.556 -2.845 1.00 0.00 C ATOM 1381 O GLN A 90 -4.586 -16.600 -2.219 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.345 -15.245 -5.110 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.460 -15.680 -6.572 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.537 -14.467 -7.501 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.534 -14.219 -8.159 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.431 -13.727 -7.519 1.00 0.00 N ATOM 0 H GLN A 90 -5.439 -13.566 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.029 -16.478 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.099 -14.184 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.529 -15.784 -4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.601 -16.294 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.348 -16.299 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.631 -13.991 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.383 -12.896 -8.108 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.014 -14.414 -2.304 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.748 -14.314 -0.879 1.00 0.00 C ATOM 1397 C GLY A 91 -2.867 -15.470 -0.403 1.00 0.00 C ATOM 1398 O GLY A 91 -3.336 -16.365 0.297 1.00 0.00 O ATOM 0 H GLY A 91 -3.870 -13.550 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.257 -13.365 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.689 -14.319 -0.329 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.604 -15.413 -0.803 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.653 -16.444 -0.425 1.00 0.00 C ATOM 1404 C ASP A 92 0.561 -15.793 0.241 1.00 0.00 C ATOM 1405 O ASP A 92 1.305 -15.054 -0.401 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.161 -17.214 -1.652 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.672 -18.653 -1.760 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.214 -19.140 -0.744 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.508 -19.233 -2.854 1.00 0.00 O ATOM 0 H ASP A 92 -1.218 -14.669 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.154 -17.131 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.460 -16.670 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.929 -17.231 -1.639 1.00 0.00 H new ATOM 1414 N ARG A 93 0.722 -16.091 1.522 1.00 0.00 N ATOM 1415 CA ARG A 93 1.833 -15.544 2.283 1.00 0.00 C ATOM 1416 C ARG A 93 3.160 -15.878 1.601 1.00 0.00 C ATOM 1417 O ARG A 93 4.149 -15.170 1.779 1.00 0.00 O ATOM 1418 CB ARG A 93 1.847 -16.096 3.711 1.00 0.00 C ATOM 1419 CG ARG A 93 1.729 -17.622 3.709 1.00 0.00 C ATOM 1420 CD ARG A 93 2.448 -18.228 4.916 1.00 0.00 C ATOM 1421 NE ARG A 93 1.573 -19.219 5.581 1.00 0.00 N ATOM 1422 CZ ARG A 93 1.297 -20.432 5.082 1.00 0.00 C ATOM 1423 NH1 ARG A 93 1.826 -20.811 3.911 1.00 0.00 N ATOM 1424 NH2 ARG A 93 0.492 -21.266 5.756 1.00 0.00 N ATOM 0 H ARG A 93 0.102 -16.704 2.052 1.00 0.00 H new ATOM 0 HA ARG A 93 1.705 -14.462 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.769 -15.799 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.023 -15.664 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.678 -17.909 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.155 -18.022 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.374 -18.705 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.721 -17.442 5.620 1.00 0.00 H new ATOM 0 HE ARG A 93 1.154 -18.963 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.439 -20.176 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.616 -21.734 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.090 -20.977 6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.282 -22.189 5.377 1.00 0.00 H new ATOM 1438 N ALA A 94 3.139 -16.958 0.833 1.00 0.00 N ATOM 1439 CA ALA A 94 4.328 -17.396 0.123 1.00 0.00 C ATOM 1440 C ALA A 94 4.769 -16.299 -0.849 1.00 0.00 C ATOM 1441 O ALA A 94 5.942 -15.930 -0.883 1.00 0.00 O ATOM 1442 CB ALA A 94 4.042 -18.721 -0.586 1.00 0.00 C ATOM 0 H ALA A 94 2.316 -17.543 0.687 1.00 0.00 H new ATOM 0 HA ALA A 94 5.148 -17.570 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.935 -19.049 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.761 -19.474 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.226 -18.585 -1.295 1.00 0.00 H new ATOM 1448 N LEU A 95 3.806 -15.808 -1.614 1.00 0.00 N ATOM 1449 CA LEU A 95 4.079 -14.761 -2.583 1.00 0.00 C ATOM 1450 C LEU A 95 4.428 -13.467 -1.845 1.00 0.00 C ATOM 1451 O LEU A 95 5.272 -12.697 -2.300 1.00 0.00 O ATOM 1452 CB LEU A 95 2.910 -14.616 -3.560 1.00 0.00 C ATOM 1453 CG LEU A 95 3.045 -15.372 -4.884 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.960 -16.442 -5.016 1.00 0.00 C ATOM 1455 CD2 LEU A 95 3.044 -14.406 -6.070 1.00 0.00 C ATOM 0 H LEU A 95 2.834 -16.116 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 95 4.943 -15.023 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.002 -14.955 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.776 -13.557 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 95 4.007 -15.885 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.078 -16.965 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.050 -17.154 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.978 -15.971 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.141 -14.969 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.109 -13.845 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.881 -13.714 -5.976 1.00 0.00 H new ATOM 1467 N VAL A 96 3.760 -13.268 -0.718 1.00 0.00 N ATOM 1468 CA VAL A 96 3.988 -12.080 0.087 1.00 0.00 C ATOM 1469 C VAL A 96 5.447 -12.055 0.549 1.00 0.00 C ATOM 1470 O VAL A 96 6.119 -11.032 0.435 1.00 0.00 O ATOM 1471 CB VAL A 96 2.992 -12.036 1.249 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.208 -10.790 2.110 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.551 -12.107 0.739 1.00 0.00 C ATOM 0 H VAL A 96 3.061 -13.909 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 96 3.818 -11.180 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 96 3.169 -12.910 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.488 -10.784 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.219 -10.800 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.071 -9.898 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.864 -12.074 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.356 -11.261 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.405 -13.037 0.189 1.00 0.00 H new ATOM 1483 N GLN A 97 5.892 -13.194 1.060 1.00 0.00 N ATOM 1484 CA GLN A 97 7.258 -13.315 1.538 1.00 0.00 C ATOM 1485 C GLN A 97 8.234 -13.339 0.360 1.00 0.00 C ATOM 1486 O GLN A 97 9.367 -12.874 0.478 1.00 0.00 O ATOM 1487 CB GLN A 97 7.424 -14.560 2.412 1.00 0.00 C ATOM 1488 CG GLN A 97 7.541 -14.182 3.890 1.00 0.00 C ATOM 1489 CD GLN A 97 6.609 -15.038 4.751 1.00 0.00 C ATOM 1490 OE1 GLN A 97 7.030 -15.931 5.467 1.00 0.00 O ATOM 1491 NE2 GLN A 97 5.323 -14.717 4.640 1.00 0.00 N ATOM 0 H GLN A 97 5.331 -14.040 1.153 1.00 0.00 H new ATOM 0 HA GLN A 97 7.485 -12.445 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.572 -15.225 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.313 -15.110 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.571 -14.313 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.296 -13.128 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.039 -13.957 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.621 -15.230 5.173 1.00 0.00 H new ATOM 1500 N LYS A 98 7.758 -13.884 -0.750 1.00 0.00 N ATOM 1501 CA LYS A 98 8.574 -13.973 -1.949 1.00 0.00 C ATOM 1502 C LYS A 98 8.961 -12.565 -2.404 1.00 0.00 C ATOM 1503 O LYS A 98 10.142 -12.262 -2.564 1.00 0.00 O ATOM 1504 CB LYS A 98 7.858 -14.793 -3.024 1.00 0.00 C ATOM 1505 CG LYS A 98 8.854 -15.347 -4.045 1.00 0.00 C ATOM 1506 CD LYS A 98 8.155 -15.688 -5.363 1.00 0.00 C ATOM 1507 CE LYS A 98 8.186 -17.196 -5.625 1.00 0.00 C ATOM 1508 NZ LYS A 98 9.578 -17.661 -5.815 1.00 0.00 N ATOM 0 H LYS A 98 6.818 -14.268 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 98 9.502 -14.506 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.315 -15.615 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.121 -14.170 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.641 -14.615 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.335 -16.239 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.122 -15.342 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.642 -15.162 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.730 -17.726 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.594 -17.429 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.580 -18.520 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.131 -16.918 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.003 -17.872 -4.889 1.00 0.00 H new ATOM 1522 N ALA A 99 7.942 -11.740 -2.601 1.00 0.00 N ATOM 1523 CA ALA A 99 8.160 -10.371 -3.034 1.00 0.00 C ATOM 1524 C ALA A 99 8.713 -9.553 -1.866 1.00 0.00 C ATOM 1525 O ALA A 99 9.706 -8.842 -2.015 1.00 0.00 O ATOM 1526 CB ALA A 99 6.854 -9.795 -3.584 1.00 0.00 C ATOM 0 H ALA A 99 6.963 -11.994 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 99 8.895 -10.335 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.018 -8.768 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.520 -10.395 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.092 -9.812 -2.805 1.00 0.00 H new ATOM 1532 N ALA A 100 8.045 -9.679 -0.728 1.00 0.00 N ATOM 1533 CA ALA A 100 8.456 -8.960 0.466 1.00 0.00 C ATOM 1534 C ALA A 100 9.934 -9.242 0.741 1.00 0.00 C ATOM 1535 O ALA A 100 10.628 -8.415 1.331 1.00 0.00 O ATOM 1536 CB ALA A 100 7.558 -9.360 1.638 1.00 0.00 C ATOM 0 H ALA A 100 7.222 -10.269 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 100 8.346 -7.885 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.867 -8.821 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.523 -9.113 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.644 -10.432 1.813 1.00 0.00 H new ATOM 1542 N ALA A 101 10.373 -10.413 0.303 1.00 0.00 N ATOM 1543 CA ALA A 101 11.756 -10.814 0.495 1.00 0.00 C ATOM 1544 C ALA A 101 12.558 -10.483 -0.766 1.00 0.00 C ATOM 1545 O ALA A 101 13.781 -10.362 -0.713 1.00 0.00 O ATOM 1546 CB ALA A 101 11.812 -12.301 0.848 1.00 0.00 C ATOM 0 H ALA A 101 9.795 -11.097 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 101 12.203 -10.265 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.850 -12.602 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.252 -12.478 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.374 -12.884 0.038 1.00 0.00 H new ATOM 1552 N LEU A 102 11.837 -10.347 -1.868 1.00 0.00 N ATOM 1553 CA LEU A 102 12.467 -10.033 -3.140 1.00 0.00 C ATOM 1554 C LEU A 102 13.047 -8.619 -3.081 1.00 0.00 C ATOM 1555 O LEU A 102 13.950 -8.282 -3.846 1.00 0.00 O ATOM 1556 CB LEU A 102 11.483 -10.247 -4.292 1.00 0.00 C ATOM 1557 CG LEU A 102 12.064 -10.121 -5.703 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.274 -10.971 -6.699 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.142 -8.655 -6.134 1.00 0.00 C ATOM 0 H LEU A 102 10.823 -10.448 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 102 13.299 -10.711 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.044 -11.239 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.671 -9.527 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 102 13.083 -10.507 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.707 -10.863 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.315 -12.017 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.236 -10.639 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.558 -8.593 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.143 -8.220 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.781 -8.106 -5.442 1.00 0.00 H new ATOM 1571 N GLY A 103 12.503 -7.829 -2.167 1.00 0.00 N ATOM 1572 CA GLY A 103 12.956 -6.458 -1.999 1.00 0.00 C ATOM 1573 C GLY A 103 11.846 -5.582 -1.414 1.00 0.00 C ATOM 1574 O GLY A 103 12.119 -4.532 -0.837 1.00 0.00 O ATOM 0 H GLY A 103 11.753 -8.111 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.826 -6.436 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.273 -6.055 -2.961 1.00 0.00 H new ATOM 1578 N ALA A 104 10.618 -6.048 -1.585 1.00 0.00 N ATOM 1579 CA ALA A 104 9.465 -5.320 -1.081 1.00 0.00 C ATOM 1580 C ALA A 104 9.647 -5.056 0.414 1.00 0.00 C ATOM 1581 O ALA A 104 10.183 -5.896 1.136 1.00 0.00 O ATOM 1582 CB ALA A 104 8.190 -6.110 -1.384 1.00 0.00 C ATOM 0 H ALA A 104 10.396 -6.920 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 104 9.375 -4.353 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.325 -5.564 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.092 -6.244 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.243 -7.086 -0.901 1.00 0.00 H new ATOM 1588 N ASN A 105 9.190 -3.886 0.836 1.00 0.00 N ATOM 1589 CA ASN A 105 9.296 -3.502 2.234 1.00 0.00 C ATOM 1590 C ASN A 105 8.168 -4.165 3.027 1.00 0.00 C ATOM 1591 O ASN A 105 8.363 -4.559 4.176 1.00 0.00 O ATOM 1592 CB ASN A 105 9.163 -1.987 2.400 1.00 0.00 C ATOM 1593 CG ASN A 105 9.684 -1.537 3.766 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.861 -1.634 4.073 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.745 -1.041 4.566 1.00 0.00 N ATOM 0 H ASN A 105 8.746 -3.192 0.235 1.00 0.00 H new ATOM 0 HA ASN A 105 10.273 -3.821 2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.718 -1.481 1.610 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.118 -1.696 2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.992 -0.713 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.778 -0.988 4.246 1.00 0.00 H new ATOM 1602 N ASN A 106 7.015 -4.267 2.384 1.00 0.00 N ATOM 1603 CA ASN A 106 5.857 -4.875 3.016 1.00 0.00 C ATOM 1604 C ASN A 106 4.743 -5.038 1.979 1.00 0.00 C ATOM 1605 O ASN A 106 4.356 -4.073 1.322 1.00 0.00 O ATOM 1606 CB ASN A 106 5.324 -3.998 4.150 1.00 0.00 C ATOM 1607 CG ASN A 106 5.285 -4.771 5.469 1.00 0.00 C ATOM 1608 OD1 ASN A 106 4.951 -5.943 5.522 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.645 -4.052 6.529 1.00 0.00 N ATOM 0 H ASN A 106 6.858 -3.939 1.431 1.00 0.00 H new ATOM 0 HA ASN A 106 6.161 -5.840 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.955 -3.116 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.323 -3.645 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.652 -4.478 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.914 -3.075 6.415 1.00 0.00 H new ATOM 1616 N VAL A 107 4.258 -6.265 1.866 1.00 0.00 N ATOM 1617 CA VAL A 107 3.197 -6.566 0.921 1.00 0.00 C ATOM 1618 C VAL A 107 2.042 -7.247 1.658 1.00 0.00 C ATOM 1619 O VAL A 107 2.180 -8.376 2.128 1.00 0.00 O ATOM 1620 CB VAL A 107 3.746 -7.407 -0.234 1.00 0.00 C ATOM 1621 CG1 VAL A 107 3.036 -7.066 -1.546 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.260 -7.230 -0.368 1.00 0.00 C ATOM 0 H VAL A 107 4.580 -7.063 2.414 1.00 0.00 H new ATOM 0 HA VAL A 107 2.807 -5.648 0.481 1.00 0.00 H new ATOM 0 HB VAL A 107 3.549 -8.455 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.445 -7.677 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.969 -7.265 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.188 -6.012 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.626 -7.838 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.488 -6.181 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.746 -7.544 0.556 1.00 0.00 H new ATOM 1632 N LEU A 108 0.929 -6.532 1.736 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.249 -7.054 2.408 1.00 0.00 C ATOM 1634 C LEU A 108 -1.467 -6.884 1.498 1.00 0.00 C ATOM 1635 O LEU A 108 -1.515 -5.963 0.684 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.414 -6.404 3.783 1.00 0.00 C ATOM 1637 CG LEU A 108 0.882 -6.063 4.523 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.627 -5.044 5.635 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.561 -7.329 5.050 1.00 0.00 C ATOM 0 H LEU A 108 0.818 -5.596 1.345 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.138 -8.122 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.992 -5.488 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.003 -7.073 4.411 1.00 0.00 H new ATOM 0 HG LEU A 108 1.569 -5.600 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.564 -4.819 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.220 -4.129 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.085 -5.456 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.479 -7.059 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.890 -7.842 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.798 -7.989 4.216 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.422 -7.786 1.666 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.638 -7.747 0.870 1.00 0.00 C ATOM 1653 C ALA A 109 -4.812 -7.334 1.760 1.00 0.00 C ATOM 1654 O ALA A 109 -4.839 -7.652 2.947 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.859 -9.108 0.208 1.00 0.00 C ATOM 0 H ALA A 109 -2.379 -8.549 2.342 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.552 -7.008 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.771 -9.079 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.011 -9.341 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.953 -9.875 0.976 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.755 -6.629 1.151 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.929 -6.170 1.872 1.00 0.00 C ATOM 1663 C LYS A 110 -7.919 -7.327 2.018 1.00 0.00 C ATOM 1664 O LYS A 110 -8.565 -7.722 1.049 1.00 0.00 O ATOM 1665 CB LYS A 110 -7.524 -4.932 1.196 1.00 0.00 C ATOM 1666 CG LYS A 110 -7.849 -5.214 -0.273 1.00 0.00 C ATOM 1667 CD LYS A 110 -9.201 -4.612 -0.660 1.00 0.00 C ATOM 1668 CE LYS A 110 -9.024 -3.471 -1.664 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.324 -3.937 -3.037 1.00 0.00 N ATOM 0 H LYS A 110 -5.729 -6.365 0.166 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.657 -5.855 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.429 -4.626 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.820 -4.102 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.067 -4.799 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.863 -6.290 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.838 -5.385 -1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.707 -4.242 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.683 -2.643 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.003 -3.093 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.444 -3.976 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.750 -4.885 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.989 -3.278 -3.490 1.00 0.00 H new ATOM 1683 N PRO A 111 -8.010 -7.851 3.270 1.00 0.00 N ATOM 1684 CA PRO A 111 -8.910 -8.956 3.555 1.00 0.00 C ATOM 1685 C PRO A 111 -10.362 -8.478 3.614 1.00 0.00 C ATOM 1686 O PRO A 111 -10.622 -7.295 3.829 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.420 -9.532 4.874 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.562 -8.449 5.508 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.259 -7.410 4.442 1.00 0.00 C ATOM 0 HA PRO A 111 -8.902 -9.718 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.257 -9.795 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.843 -10.443 4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.084 -7.992 6.349 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.638 -8.875 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.570 -6.415 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.191 -7.359 4.231 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.271 -9.422 3.417 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.689 -9.113 3.445 1.00 0.00 C ATOM 1699 C PHE A 112 -13.166 -8.851 4.875 1.00 0.00 C ATOM 1700 O PHE A 112 -14.332 -8.527 5.096 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.425 -10.336 2.892 1.00 0.00 C ATOM 1702 CG PHE A 112 -13.785 -10.226 1.409 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -12.884 -10.596 0.460 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -15.008 -9.759 1.039 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -13.218 -10.494 -0.916 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -15.343 -9.657 -0.337 1.00 0.00 C ATOM 1707 CZ PHE A 112 -14.440 -10.027 -1.285 1.00 0.00 C ATOM 0 H PHE A 112 -11.052 -10.402 3.237 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.885 -8.218 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.804 -11.219 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -14.338 -10.489 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -11.913 -10.968 0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -15.724 -9.466 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.502 -10.787 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -16.314 -9.286 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 112 -14.694 -9.950 -2.332 1.00 0.00 H new ATOM 1717 N THR A 113 -12.239 -8.999 5.811 1.00 0.00 N ATOM 1718 CA THR A 113 -12.550 -8.781 7.213 1.00 0.00 C ATOM 1719 C THR A 113 -11.744 -7.601 7.761 1.00 0.00 C ATOM 1720 O THR A 113 -10.587 -7.409 7.391 1.00 0.00 O ATOM 1721 CB THR A 113 -12.294 -10.090 7.962 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.679 -11.101 7.035 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.247 -10.285 9.142 1.00 0.00 C ATOM 0 H THR A 113 -11.273 -9.267 5.625 1.00 0.00 H new ATOM 0 HA THR A 113 -13.597 -8.510 7.349 1.00 0.00 H new ATOM 0 HB THR A 113 -11.265 -10.108 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.544 -11.984 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.022 -11.229 9.639 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.124 -9.464 9.849 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.275 -10.301 8.781 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.388 -6.841 8.634 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.747 -5.685 9.236 1.00 0.00 C ATOM 1733 C ILE A 114 -10.694 -6.157 10.240 1.00 0.00 C ATOM 1734 O ILE A 114 -9.736 -5.439 10.525 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.793 -4.745 9.839 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.830 -5.525 10.650 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.445 -3.883 8.755 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.331 -4.701 11.838 1.00 0.00 C ATOM 0 H ILE A 114 -13.348 -7.003 8.939 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.226 -5.100 8.477 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.287 -4.069 10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.670 -5.794 10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.391 -6.456 11.008 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.184 -3.224 9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.682 -3.284 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -13.934 -4.526 8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.067 -5.279 12.397 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.492 -4.454 12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.791 -3.782 11.475 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.908 -7.361 10.751 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.988 -7.937 11.718 1.00 0.00 C ATOM 1752 C GLU A 115 -8.624 -8.184 11.071 1.00 0.00 C ATOM 1753 O GLU A 115 -7.588 -7.904 11.672 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.555 -9.227 12.312 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.441 -9.225 13.838 1.00 0.00 C ATOM 1756 CD GLU A 115 -10.804 -10.595 14.417 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -11.765 -11.197 13.891 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -10.113 -11.007 15.373 1.00 0.00 O ATOM 0 H GLU A 115 -11.704 -7.953 10.514 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.857 -7.227 12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.600 -9.336 12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.020 -10.085 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.425 -8.961 14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.101 -8.464 14.255 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.668 -8.706 9.854 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.448 -8.994 9.119 1.00 0.00 C ATOM 1767 C LYS A 116 -6.842 -7.685 8.611 1.00 0.00 C ATOM 1768 O LYS A 116 -5.635 -7.475 8.712 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.718 -10.017 8.014 1.00 0.00 C ATOM 1770 CG LYS A 116 -8.134 -11.366 8.603 1.00 0.00 C ATOM 1771 CD LYS A 116 -9.198 -12.040 7.734 1.00 0.00 C ATOM 1772 CE LYS A 116 -8.684 -13.363 7.165 1.00 0.00 C ATOM 1773 NZ LYS A 116 -8.679 -14.411 8.210 1.00 0.00 N ATOM 0 H LYS A 116 -9.529 -8.937 9.359 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.708 -9.454 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.503 -9.647 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.823 -10.143 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.262 -12.015 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.521 -11.222 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.096 -12.219 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.481 -11.375 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.313 -13.676 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.676 -13.229 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.327 -15.302 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.060 -14.118 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.646 -14.550 8.566 1.00 0.00 H new ATOM 1787 N MET A 117 -7.709 -6.838 8.075 1.00 0.00 N ATOM 1788 CA MET A 117 -7.274 -5.554 7.550 1.00 0.00 C ATOM 1789 C MET A 117 -6.786 -4.640 8.675 1.00 0.00 C ATOM 1790 O MET A 117 -5.808 -3.914 8.509 1.00 0.00 O ATOM 1791 CB MET A 117 -8.437 -4.883 6.814 1.00 0.00 C ATOM 1792 CG MET A 117 -7.977 -3.598 6.123 1.00 0.00 C ATOM 1793 SD MET A 117 -7.914 -3.845 4.356 1.00 0.00 S ATOM 1794 CE MET A 117 -9.660 -3.898 3.987 1.00 0.00 C ATOM 0 H MET A 117 -8.710 -7.015 7.993 1.00 0.00 H new ATOM 0 HA MET A 117 -6.447 -5.725 6.861 1.00 0.00 H new ATOM 0 HB2 MET A 117 -8.850 -5.570 6.075 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.236 -4.655 7.519 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.660 -2.783 6.361 1.00 0.00 H new ATOM 0 HG3 MET A 117 -6.994 -3.308 6.493 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.918 -4.879 3.587 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.230 -3.717 4.898 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.900 -3.131 3.250 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.490 -4.704 9.795 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.141 -3.891 10.947 1.00 0.00 C ATOM 1806 C LYS A 118 -5.842 -4.416 11.562 1.00 0.00 C ATOM 1807 O LYS A 118 -5.051 -3.646 12.105 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.308 -3.830 11.935 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.959 -2.960 13.144 1.00 0.00 C ATOM 1810 CD LYS A 118 -9.202 -2.673 13.989 1.00 0.00 C ATOM 1811 CE LYS A 118 -8.922 -2.911 15.474 1.00 0.00 C ATOM 1812 NZ LYS A 118 -9.418 -4.242 15.889 1.00 0.00 N ATOM 0 H LYS A 118 -8.302 -5.307 9.929 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.957 -2.860 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.190 -3.429 11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.560 -4.837 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -7.208 -3.463 13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.519 -2.021 12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -9.520 -1.642 13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -10.023 -3.312 13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -7.851 -2.840 15.664 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -9.403 -2.135 16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.220 -4.387 16.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.444 -4.296 15.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -8.940 -4.980 15.333 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.662 -5.724 11.457 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.473 -6.363 11.996 1.00 0.00 C ATOM 1828 C ALA A 119 -3.283 -6.072 11.078 1.00 0.00 C ATOM 1829 O ALA A 119 -2.208 -5.703 11.547 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.728 -7.862 12.163 1.00 0.00 C ATOM 0 H ALA A 119 -6.320 -6.360 11.006 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.236 -5.962 12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.836 -8.340 12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.563 -8.015 12.847 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.967 -8.301 11.194 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.516 -6.249 9.786 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.479 -6.010 8.798 1.00 0.00 C ATOM 1838 C ALA A 120 -1.982 -4.569 8.925 1.00 0.00 C ATOM 1839 O ALA A 120 -0.778 -4.328 9.011 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.021 -6.319 7.401 1.00 0.00 C ATOM 0 H ALA A 120 -4.409 -6.556 9.400 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.628 -6.669 8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.242 -6.139 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.332 -7.363 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.876 -5.676 7.192 1.00 0.00 H new ATOM 1846 N ILE A 121 -2.933 -3.647 8.931 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.608 -2.236 9.046 1.00 0.00 C ATOM 1848 C ILE A 121 -1.894 -1.988 10.377 1.00 0.00 C ATOM 1849 O ILE A 121 -0.878 -1.296 10.422 1.00 0.00 O ATOM 1850 CB ILE A 121 -3.859 -1.379 8.851 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -4.981 -1.826 9.789 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.302 -1.381 7.387 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.111 -0.877 10.982 1.00 0.00 C ATOM 0 H ILE A 121 -3.930 -3.850 8.858 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.920 -1.939 8.254 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.612 -0.350 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.924 -1.860 9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.781 -2.837 10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.194 -0.764 7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.503 -0.979 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.526 -2.401 7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.916 -1.219 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.175 -0.863 11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.335 0.128 10.625 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.454 -2.567 11.429 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.884 -2.418 12.757 1.00 0.00 C ATOM 1867 C GLU A 122 -0.426 -2.880 12.764 1.00 0.00 C ATOM 1868 O GLU A 122 0.373 -2.413 13.575 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.707 -3.183 13.795 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.702 -2.257 14.497 1.00 0.00 C ATOM 1871 CD GLU A 122 -4.276 -2.917 15.752 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -3.457 -3.425 16.550 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -5.518 -2.900 15.886 1.00 0.00 O ATOM 0 H GLU A 122 -3.297 -3.140 11.388 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.911 -1.362 13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.244 -3.998 13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.042 -3.633 14.532 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.207 -1.324 14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.512 -2.003 13.813 1.00 0.00 H new ATOM 1880 N ALA A 123 -0.123 -3.793 11.851 1.00 0.00 N ATOM 1881 CA ALA A 123 1.225 -4.323 11.743 1.00 0.00 C ATOM 1882 C ALA A 123 2.055 -3.414 10.833 1.00 0.00 C ATOM 1883 O ALA A 123 3.220 -3.143 11.116 1.00 0.00 O ATOM 1884 CB ALA A 123 1.167 -5.764 11.231 1.00 0.00 C ATOM 0 H ALA A 123 -0.788 -4.178 11.180 1.00 0.00 H new ATOM 0 HA ALA A 123 1.709 -4.343 12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.178 -6.162 11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.591 -6.374 11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.690 -5.783 10.251 1.00 0.00 H new ATOM 1890 N VAL A 124 1.420 -2.969 9.758 1.00 0.00 N ATOM 1891 CA VAL A 124 2.084 -2.097 8.805 1.00 0.00 C ATOM 1892 C VAL A 124 2.474 -0.790 9.501 1.00 0.00 C ATOM 1893 O VAL A 124 3.470 -0.165 9.141 1.00 0.00 O ATOM 1894 CB VAL A 124 1.190 -1.878 7.583 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.331 -0.623 7.749 1.00 0.00 C ATOM 1896 CG2 VAL A 124 2.021 -1.809 6.301 1.00 0.00 C ATOM 0 H VAL A 124 0.453 -3.196 9.527 1.00 0.00 H new ATOM 0 HA VAL A 124 3.002 -2.559 8.441 1.00 0.00 H new ATOM 0 HB VAL A 124 0.519 -2.733 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.295 -0.491 6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.302 -0.729 8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.977 0.247 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.361 -1.653 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.728 -0.982 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.567 -2.743 6.171 1.00 0.00 H new ATOM 1906 N PHE A 125 1.669 -0.419 10.485 1.00 0.00 N ATOM 1907 CA PHE A 125 1.917 0.801 11.234 1.00 0.00 C ATOM 1908 C PHE A 125 2.855 0.538 12.414 1.00 0.00 C ATOM 1909 O PHE A 125 3.942 1.109 12.487 1.00 0.00 O ATOM 1910 CB PHE A 125 0.566 1.281 11.769 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.011 2.480 11.016 1.00 0.00 C ATOM 1912 CD1 PHE A 125 0.470 3.730 11.255 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -1.006 2.298 10.106 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -0.066 4.843 10.557 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -1.541 3.411 9.407 1.00 0.00 C ATOM 1916 CZ PHE A 125 -1.060 4.661 9.647 1.00 0.00 C ATOM 0 H PHE A 125 0.845 -0.941 10.781 1.00 0.00 H new ATOM 0 HA PHE A 125 2.386 1.544 10.589 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.146 0.457 11.720 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.676 1.545 12.821 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.260 3.875 11.977 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.389 1.306 9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.316 5.835 10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.330 3.266 8.684 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.467 5.508 9.115 1.00 0.00 H new ATOM 1926 N GLY A 126 2.401 -0.326 13.309 1.00 0.00 N ATOM 1927 CA GLY A 126 3.186 -0.672 14.482 1.00 0.00 C ATOM 1928 C GLY A 126 4.544 -1.251 14.081 1.00 0.00 C ATOM 1929 O GLY A 126 5.586 -0.722 14.465 1.00 0.00 O ATOM 0 H GLY A 126 1.499 -0.797 13.246 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.332 0.214 15.100 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.642 -1.397 15.087 1.00 0.00 H new ATOM 1933 N ALA A 127 4.489 -2.330 13.315 1.00 0.00 N ATOM 1934 CA ALA A 127 5.701 -2.987 12.859 1.00 0.00 C ATOM 1935 C ALA A 127 6.787 -2.844 13.927 1.00 0.00 C ATOM 1936 O ALA A 127 7.802 -2.187 13.702 1.00 0.00 O ATOM 1937 CB ALA A 127 6.127 -2.395 11.513 1.00 0.00 C ATOM 0 H ALA A 127 3.623 -2.766 12.998 1.00 0.00 H new ATOM 0 HA ALA A 127 5.526 -4.052 12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.037 -2.888 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.334 -2.548 10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.314 -1.327 11.628 1.00 0.00 H new ATOM 1943 N LEU A 128 6.536 -3.471 15.068 1.00 0.00 N ATOM 1944 CA LEU A 128 7.479 -3.422 16.172 1.00 0.00 C ATOM 1945 C LEU A 128 8.399 -4.642 16.106 1.00 0.00 C ATOM 1946 O LEU A 128 7.928 -5.777 16.038 1.00 0.00 O ATOM 1947 CB LEU A 128 6.739 -3.281 17.504 1.00 0.00 C ATOM 1948 CG LEU A 128 7.436 -2.438 18.573 1.00 0.00 C ATOM 1949 CD1 LEU A 128 8.699 -3.136 19.084 1.00 0.00 C ATOM 1950 CD2 LEU A 128 7.730 -1.029 18.056 1.00 0.00 C ATOM 0 H LEU A 128 5.693 -4.015 15.251 1.00 0.00 H new ATOM 0 HA LEU A 128 8.113 -2.539 16.092 1.00 0.00 H new ATOM 0 HB2 LEU A 128 5.759 -2.845 17.308 1.00 0.00 H new ATOM 0 HB3 LEU A 128 6.569 -4.278 17.910 1.00 0.00 H new ATOM 0 HG LEU A 128 6.759 -2.334 19.421 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.176 -2.516 19.843 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.432 -4.100 19.518 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.390 -3.290 18.255 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.226 -0.451 18.836 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.379 -1.090 17.182 1.00 0.00 H new ATOM 0 HD23 LEU A 128 6.796 -0.540 17.781 1.00 0.00 H new ATOM 1962 N LYS A 129 9.696 -4.369 16.127 1.00 0.00 N ATOM 1963 CA LYS A 129 10.686 -5.430 16.072 1.00 0.00 C ATOM 1964 C LYS A 129 10.203 -6.521 15.113 1.00 0.00 C ATOM 1965 O LYS A 129 10.336 -7.709 15.403 1.00 0.00 O ATOM 1966 CB LYS A 129 11.003 -5.943 17.478 1.00 0.00 C ATOM 1967 CG LYS A 129 12.479 -5.728 17.820 1.00 0.00 C ATOM 1968 CD LYS A 129 13.010 -6.869 18.691 1.00 0.00 C ATOM 1969 CE LYS A 129 12.985 -6.484 20.172 1.00 0.00 C ATOM 1970 NZ LYS A 129 12.528 -7.626 20.996 1.00 0.00 N ATOM 0 H LYS A 129 10.084 -3.427 16.181 1.00 0.00 H new ATOM 0 HA LYS A 129 11.629 -5.051 15.678 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.378 -5.427 18.207 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.761 -7.004 17.545 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.063 -5.664 16.902 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.601 -4.779 18.343 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.407 -7.763 18.533 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.029 -7.116 18.393 1.00 0.00 H new ATOM 0 HE2 LYS A 129 13.980 -6.173 20.490 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.322 -5.632 20.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 12.517 -7.348 21.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.570 -7.904 20.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 13.176 -8.429 20.867 1.00 0.00 H new TER 1984 LYS A 129