USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 934 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 29 THR OG1 : rot 45:sc= 0.875 USER MOD Set 1.2: A 31 HIS : no HE2:sc= 0.422 K(o=1.3,f=-3.8!) USER MOD Set 2.1: A 15 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Set 2.2: A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0366 (180deg=-0.242) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0451 (180deg=-0.367) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0383 (180deg=-0.334) USER MOD Single : A 14 GLN : amide:sc= -1.2 K(o=-1.2,f=-9.4!) USER MOD Single : A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 MET CE :methyl -110:sc= -0.43 (180deg=-2.12!) USER MOD Single : A 23 SER OG : rot -26:sc= 0.649 USER MOD Single : A 26 GLN : amide:sc= -2.97! C(o=-3!,f=-7.8!) USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= -1.36 (180deg=-4.03!) USER MOD Single : A 33 CYS SG : rot -170:sc= -1.14 USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= 0.769 (180deg=0.0844) USER MOD Single : A 41 SER OG : rot 40:sc= 0.379 USER MOD Single : A 43 SER OG : rot 160:sc= -0.412 USER MOD Single : A 48 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.7!) USER MOD Single : A 49 THR OG1 : rot 10:sc= 1.64 USER MOD Single : A 50 MET CE :methyl 173:sc= -0.65 (180deg=-0.801) USER MOD Single : A 54 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.39) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.945 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 65:sc= 0.0629 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.013 F(o=-1.5!,f=-0.013) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.0019 (180deg=-0.121) USER MOD Single : A 79 ASN : amide:sc= -1.33 X(o=-1.3,f=-0.98) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.189 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.7) USER MOD Single : A 92 GLN :FLIP amide:sc=-0.00398 F(o=-1.1,f=-0.004) USER MOD Single : A 101 THR OG1 : rot 117:sc= 0.151 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.41 F(o=-4.6!,f=-2.4) USER MOD Single : A 113 SER OG : rot 170:sc= 0 USER MOD Single : A 118 THR OG1 : rot -93:sc= 0.167 USER MOD Single : A 120 LYS NZ :NH3+ 163:sc= -0.062 (180deg=-0.353) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 164:sc= -0.0402 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 -9.330 23.958 -0.810 1.00 0.00 N ATOM 2 CA LYS A 8 -8.001 24.015 -1.472 1.00 0.00 C ATOM 3 C LYS A 8 -6.893 24.229 -0.447 1.00 0.00 C ATOM 4 O LYS A 8 -6.763 25.312 0.124 1.00 0.00 O ATOM 5 CB LYS A 8 -7.976 25.143 -2.506 1.00 0.00 C ATOM 6 CG LYS A 8 -9.028 24.999 -3.596 1.00 0.00 C ATOM 7 CD LYS A 8 -8.792 23.760 -4.443 1.00 0.00 C ATOM 8 CE LYS A 8 -9.837 23.626 -5.540 1.00 0.00 C ATOM 9 NZ LYS A 8 -11.216 23.537 -4.987 1.00 0.00 N ATOM 0 HA LYS A 8 -7.829 23.063 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.123 26.095 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.989 25.178 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.018 24.947 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.016 25.883 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.799 23.807 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.814 22.874 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.770 24.482 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.627 22.737 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.868 23.213 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.230 22.862 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.516 24.474 -4.649 1.00 0.00 H new ATOM 23 N LYS A 9 -6.095 23.189 -0.219 1.00 0.00 N ATOM 24 CA LYS A 9 -4.995 23.264 0.736 1.00 0.00 C ATOM 25 C LYS A 9 -4.024 22.104 0.538 1.00 0.00 C ATOM 26 O LYS A 9 -3.238 21.780 1.429 1.00 0.00 O ATOM 27 CB LYS A 9 -5.536 23.254 2.169 1.00 0.00 C ATOM 28 CG LYS A 9 -6.353 22.016 2.504 1.00 0.00 C ATOM 29 CD LYS A 9 -6.871 22.055 3.934 1.00 0.00 C ATOM 30 CE LYS A 9 -7.882 23.173 4.134 1.00 0.00 C ATOM 31 NZ LYS A 9 -9.064 23.021 3.239 1.00 0.00 N ATOM 0 H LYS A 9 -6.190 22.285 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.458 24.197 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.700 23.326 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.154 24.139 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.193 21.937 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.740 21.126 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.332 21.099 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.035 22.192 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.212 23.182 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.403 24.134 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.839 23.624 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.806 23.304 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.373 22.028 3.238 1.00 0.00 H new ATOM 45 N ASP A 10 -4.081 21.491 -0.639 1.00 0.00 N ATOM 46 CA ASP A 10 -3.208 20.367 -0.959 1.00 0.00 C ATOM 47 C ASP A 10 -2.177 20.762 -2.012 1.00 0.00 C ATOM 48 O ASP A 10 -2.530 21.119 -3.137 1.00 0.00 O ATOM 49 CB ASP A 10 -4.033 19.179 -1.457 1.00 0.00 C ATOM 50 CG ASP A 10 -3.172 17.980 -1.801 1.00 0.00 C ATOM 51 OD1 ASP A 10 -2.926 17.148 -0.903 1.00 0.00 O ATOM 52 OD2 ASP A 10 -2.745 17.872 -2.971 1.00 0.00 O ATOM 0 H ASP A 10 -4.722 21.753 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.681 20.078 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.756 18.896 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.602 19.479 -2.337 1.00 0.00 H new ATOM 57 N GLU A 11 -0.902 20.695 -1.639 1.00 0.00 N ATOM 58 CA GLU A 11 0.180 21.045 -2.551 1.00 0.00 C ATOM 59 C GLU A 11 1.099 19.850 -2.787 1.00 0.00 C ATOM 60 O GLU A 11 1.622 19.664 -3.885 1.00 0.00 O ATOM 61 CB GLU A 11 0.983 22.221 -1.991 1.00 0.00 C ATOM 62 CG GLU A 11 2.127 22.659 -2.891 1.00 0.00 C ATOM 63 CD GLU A 11 2.885 23.847 -2.334 1.00 0.00 C ATOM 64 OE1 GLU A 11 2.499 24.995 -2.641 1.00 0.00 O ATOM 65 OE2 GLU A 11 3.866 23.631 -1.591 1.00 0.00 O ATOM 0 H GLU A 11 -0.594 20.402 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.259 21.335 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.312 23.066 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.384 21.945 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.816 21.825 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.733 22.913 -3.875 1.00 0.00 H new ATOM 72 N HIS A 12 1.291 19.044 -1.747 1.00 0.00 N ATOM 73 CA HIS A 12 2.147 17.866 -1.839 1.00 0.00 C ATOM 74 C HIS A 12 1.323 16.586 -1.752 1.00 0.00 C ATOM 75 O HIS A 12 0.323 16.526 -1.035 1.00 0.00 O ATOM 76 CB HIS A 12 3.198 17.884 -0.728 1.00 0.00 C ATOM 77 CG HIS A 12 4.123 19.059 -0.797 1.00 0.00 C ATOM 78 ND1 HIS A 12 4.027 20.145 0.048 1.00 0.00 N ATOM 79 CD2 HIS A 12 5.173 19.314 -1.614 1.00 0.00 C ATOM 80 CE1 HIS A 12 4.976 21.016 -0.247 1.00 0.00 C ATOM 81 NE2 HIS A 12 5.684 20.536 -1.251 1.00 0.00 N ATOM 0 H HIS A 12 0.865 19.185 -0.831 1.00 0.00 H new ATOM 0 HA HIS A 12 2.650 17.889 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.693 17.886 0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.785 16.967 -0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.540 18.675 -2.404 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.143 21.960 0.250 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.482 20.998 -1.687 1.00 0.00 H new ATOM 90 N LYS A 13 1.748 15.563 -2.487 1.00 0.00 N ATOM 91 CA LYS A 13 1.051 14.282 -2.494 1.00 0.00 C ATOM 92 C LYS A 13 1.642 13.336 -1.454 1.00 0.00 C ATOM 93 O LYS A 13 2.793 13.488 -1.045 1.00 0.00 O ATOM 94 CB LYS A 13 1.126 13.643 -3.881 1.00 0.00 C ATOM 95 CG LYS A 13 0.479 14.481 -4.973 1.00 0.00 C ATOM 96 CD LYS A 13 0.527 13.780 -6.321 1.00 0.00 C ATOM 97 CE LYS A 13 1.953 13.643 -6.832 1.00 0.00 C ATOM 98 NZ LYS A 13 2.607 14.969 -7.011 1.00 0.00 N ATOM 0 H LYS A 13 2.573 15.597 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 13 0.006 14.465 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.172 13.472 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.642 12.667 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.558 14.688 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.988 15.442 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.075 12.792 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.067 14.340 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.534 13.043 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.949 13.109 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.446 14.863 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.938 15.629 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.895 15.342 -6.084 1.00 0.00 H new ATOM 112 N GLN A 14 0.846 12.359 -1.031 1.00 0.00 N ATOM 113 CA GLN A 14 1.288 11.386 -0.039 1.00 0.00 C ATOM 114 C GLN A 14 2.389 10.497 -0.608 1.00 0.00 C ATOM 115 O GLN A 14 2.167 9.756 -1.567 1.00 0.00 O ATOM 116 CB GLN A 14 0.107 10.528 0.423 1.00 0.00 C ATOM 117 CG GLN A 14 -0.004 10.393 1.934 1.00 0.00 C ATOM 118 CD GLN A 14 1.078 9.513 2.535 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.192 9.435 2.021 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.749 8.842 3.632 1.00 0.00 N ATOM 0 H GLN A 14 -0.109 12.220 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 14 1.690 11.928 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.816 10.961 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.200 9.534 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.049 11.383 2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.981 9.980 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.187 8.936 4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.433 8.233 4.081 1.00 0.00 H new ATOM 129 N GLN A 15 3.574 10.574 -0.012 1.00 0.00 N ATOM 130 CA GLN A 15 4.710 9.775 -0.461 1.00 0.00 C ATOM 131 C GLN A 15 5.613 9.401 0.710 1.00 0.00 C ATOM 132 O GLN A 15 5.844 10.205 1.613 1.00 0.00 O ATOM 133 CB GLN A 15 5.515 10.540 -1.514 1.00 0.00 C ATOM 134 CG GLN A 15 6.777 9.820 -1.962 1.00 0.00 C ATOM 135 CD GLN A 15 7.601 10.639 -2.936 1.00 0.00 C ATOM 136 OE1 GLN A 15 7.322 10.483 -4.226 1.00 0.00 O flip ATOM 137 NE2 GLN A 15 8.478 11.406 -2.537 1.00 0.00 N flip ATOM 0 H GLN A 15 3.774 11.181 0.783 1.00 0.00 H new ATOM 0 HA GLN A 15 4.322 8.858 -0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.882 10.719 -2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.788 11.516 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.384 9.582 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.505 8.873 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.660 11.496 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.022 11.951 -3.206 1.00 0.00 H new ATOM 146 N GLY A 16 6.119 8.173 0.683 1.00 0.00 N ATOM 147 CA GLY A 16 6.995 7.703 1.741 1.00 0.00 C ATOM 148 C GLY A 16 7.354 6.239 1.589 1.00 0.00 C ATOM 149 O GLY A 16 7.600 5.764 0.480 1.00 0.00 O ATOM 0 H GLY A 16 5.938 7.493 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.908 8.299 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.510 7.857 2.705 1.00 0.00 H new ATOM 153 N GLU A 17 7.382 5.518 2.707 1.00 0.00 N ATOM 154 CA GLU A 17 7.716 4.099 2.694 1.00 0.00 C ATOM 155 C GLU A 17 6.633 3.275 3.382 1.00 0.00 C ATOM 156 O GLU A 17 6.035 3.713 4.365 1.00 0.00 O ATOM 157 CB GLU A 17 9.064 3.866 3.380 1.00 0.00 C ATOM 158 CG GLU A 17 10.210 4.637 2.744 1.00 0.00 C ATOM 159 CD GLU A 17 11.530 4.411 3.454 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.779 5.087 4.474 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.315 3.559 2.988 1.00 0.00 O ATOM 0 H GLU A 17 7.177 5.894 3.633 1.00 0.00 H new ATOM 0 HA GLU A 17 7.783 3.778 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.983 4.151 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.296 2.801 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.308 4.340 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.975 5.701 2.752 1.00 0.00 H new ATOM 168 N LEU A 18 6.388 2.078 2.858 1.00 0.00 N ATOM 169 CA LEU A 18 5.379 1.185 3.418 1.00 0.00 C ATOM 170 C LEU A 18 5.797 -0.273 3.254 1.00 0.00 C ATOM 171 O LEU A 18 6.751 -0.577 2.537 1.00 0.00 O ATOM 172 CB LEU A 18 4.026 1.421 2.743 1.00 0.00 C ATOM 173 CG LEU A 18 2.924 1.954 3.662 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.653 2.219 2.870 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.652 0.979 4.798 1.00 0.00 C ATOM 0 H LEU A 18 6.876 1.703 2.044 1.00 0.00 H new ATOM 0 HA LEU A 18 5.286 1.401 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.165 2.125 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.688 0.482 2.304 1.00 0.00 H new ATOM 0 HG LEU A 18 3.264 2.895 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.880 2.597 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.855 2.957 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.312 1.292 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.866 1.377 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.334 0.021 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.561 0.839 5.383 1.00 0.00 H new ATOM 187 N TYR A 19 5.080 -1.172 3.923 1.00 0.00 N ATOM 188 CA TYR A 19 5.383 -2.595 3.851 1.00 0.00 C ATOM 189 C TYR A 19 4.244 -3.364 3.188 1.00 0.00 C ATOM 190 O TYR A 19 3.070 -3.044 3.377 1.00 0.00 O ATOM 191 CB TYR A 19 5.644 -3.151 5.251 1.00 0.00 C ATOM 192 CG TYR A 19 6.844 -2.533 5.933 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.754 -1.288 6.542 1.00 0.00 C ATOM 194 CD2 TYR A 19 8.065 -3.194 5.966 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.849 -0.719 7.165 1.00 0.00 C ATOM 196 CE2 TYR A 19 9.163 -2.632 6.587 1.00 0.00 C ATOM 197 CZ TYR A 19 9.051 -1.396 7.185 1.00 0.00 C ATOM 198 OH TYR A 19 10.143 -0.832 7.804 1.00 0.00 O ATOM 0 H TYR A 19 4.286 -0.939 4.520 1.00 0.00 H new ATOM 0 HA TYR A 19 6.280 -2.720 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.761 -2.987 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.790 -4.229 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.814 -0.756 6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.157 -4.163 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.764 0.250 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.105 -3.159 6.604 1.00 0.00 H new ATOM 0 HH TYR A 19 10.722 -1.540 8.155 1.00 0.00 H new ATOM 208 N MET A 20 4.605 -4.379 2.413 1.00 0.00 N ATOM 209 CA MET A 20 3.625 -5.203 1.715 1.00 0.00 C ATOM 210 C MET A 20 3.995 -6.679 1.812 1.00 0.00 C ATOM 211 O MET A 20 5.169 -7.040 1.721 1.00 0.00 O ATOM 212 CB MET A 20 3.531 -4.783 0.247 1.00 0.00 C ATOM 213 CG MET A 20 2.840 -3.444 0.038 1.00 0.00 C ATOM 214 SD MET A 20 3.133 -2.762 -1.605 1.00 0.00 S ATOM 215 CE MET A 20 2.428 -4.044 -2.638 1.00 0.00 C ATOM 0 H MET A 20 5.574 -4.653 2.251 1.00 0.00 H new ATOM 0 HA MET A 20 2.655 -5.057 2.190 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.536 -4.733 -0.173 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.992 -5.551 -0.308 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.768 -3.565 0.191 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.192 -2.737 0.789 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.226 -4.565 -3.167 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.881 -4.753 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.747 -3.595 -3.361 1.00 0.00 H new ATOM 225 N TRP A 21 2.990 -7.528 1.999 1.00 0.00 N ATOM 226 CA TRP A 21 3.217 -8.964 2.114 1.00 0.00 C ATOM 227 C TRP A 21 3.799 -9.535 0.826 1.00 0.00 C ATOM 228 O TRP A 21 3.136 -9.558 -0.211 1.00 0.00 O ATOM 229 CB TRP A 21 1.914 -9.690 2.459 1.00 0.00 C ATOM 230 CG TRP A 21 2.022 -11.184 2.361 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.282 -12.010 1.563 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.926 -12.029 3.083 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.666 -13.315 1.750 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.673 -13.353 2.677 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.923 -11.796 4.033 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.381 -14.436 3.188 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.626 -12.873 4.540 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.352 -14.179 4.116 1.00 0.00 C ATOM 0 H TRP A 21 2.012 -7.247 2.074 1.00 0.00 H new ATOM 0 HA TRP A 21 3.936 -9.120 2.918 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.613 -9.420 3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.126 -9.345 1.790 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.508 -11.684 0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.266 -14.125 1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.141 -10.792 4.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.171 -15.444 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.399 -12.704 5.275 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.919 -15.000 4.530 1.00 0.00 H new ATOM 249 N ASP A 22 5.043 -9.995 0.901 1.00 0.00 N ATOM 250 CA ASP A 22 5.709 -10.581 -0.253 1.00 0.00 C ATOM 251 C ASP A 22 5.498 -12.091 -0.261 1.00 0.00 C ATOM 252 O ASP A 22 6.062 -12.810 0.567 1.00 0.00 O ATOM 253 CB ASP A 22 7.204 -10.254 -0.231 1.00 0.00 C ATOM 254 CG ASP A 22 7.859 -10.461 -1.583 1.00 0.00 C ATOM 255 OD1 ASP A 22 8.297 -11.595 -1.864 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.936 -9.486 -2.361 1.00 0.00 O ATOM 0 H ASP A 22 5.609 -9.973 1.749 1.00 0.00 H new ATOM 0 HA ASP A 22 5.278 -10.158 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.343 -9.219 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.700 -10.881 0.510 1.00 0.00 H new ATOM 261 N SER A 23 4.673 -12.561 -1.196 1.00 0.00 N ATOM 262 CA SER A 23 4.367 -13.984 -1.311 1.00 0.00 C ATOM 263 C SER A 23 5.451 -14.730 -2.082 1.00 0.00 C ATOM 264 O SER A 23 5.293 -15.905 -2.413 1.00 0.00 O ATOM 265 CB SER A 23 3.011 -14.182 -1.992 1.00 0.00 C ATOM 266 OG SER A 23 1.967 -13.608 -1.225 1.00 0.00 O ATOM 0 H SER A 23 4.204 -11.974 -1.886 1.00 0.00 H new ATOM 0 HA SER A 23 4.327 -14.396 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.029 -13.730 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.822 -15.247 -2.130 1.00 0.00 H new ATOM 0 HG SER A 23 2.233 -13.576 -0.282 1.00 0.00 H new ATOM 272 N ILE A 24 6.548 -14.044 -2.375 1.00 0.00 N ATOM 273 CA ILE A 24 7.660 -14.658 -3.089 1.00 0.00 C ATOM 274 C ILE A 24 8.810 -14.921 -2.129 1.00 0.00 C ATOM 275 O ILE A 24 9.606 -15.840 -2.321 1.00 0.00 O ATOM 276 CB ILE A 24 8.152 -13.770 -4.250 1.00 0.00 C ATOM 277 CG1 ILE A 24 6.985 -13.420 -5.180 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.261 -14.473 -5.022 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.352 -12.439 -6.273 1.00 0.00 C ATOM 0 H ILE A 24 6.692 -13.064 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 24 7.304 -15.599 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 24 8.555 -12.845 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.609 -14.335 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.172 -13.002 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.598 -13.834 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.097 -14.678 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.883 -15.411 -5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.477 -12.239 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.700 -11.508 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.144 -12.862 -6.891 1.00 0.00 H new ATOM 291 N ASP A 25 8.879 -14.100 -1.089 1.00 0.00 N ATOM 292 CA ASP A 25 9.903 -14.230 -0.065 1.00 0.00 C ATOM 293 C ASP A 25 9.252 -14.573 1.265 1.00 0.00 C ATOM 294 O ASP A 25 9.933 -14.762 2.273 1.00 0.00 O ATOM 295 CB ASP A 25 10.704 -12.933 0.059 1.00 0.00 C ATOM 296 CG ASP A 25 11.529 -12.639 -1.178 1.00 0.00 C ATOM 297 OD1 ASP A 25 12.690 -13.095 -1.239 1.00 0.00 O ATOM 298 OD2 ASP A 25 11.015 -11.953 -2.087 1.00 0.00 O ATOM 0 H ASP A 25 8.229 -13.329 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 25 10.587 -15.030 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.020 -12.104 0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.364 -12.999 0.924 1.00 0.00 H new ATOM 303 N GLN A 26 7.921 -14.660 1.248 1.00 0.00 N ATOM 304 CA GLN A 26 7.149 -14.970 2.439 1.00 0.00 C ATOM 305 C GLN A 26 7.672 -14.190 3.636 1.00 0.00 C ATOM 306 O GLN A 26 8.128 -14.766 4.624 1.00 0.00 O ATOM 307 CB GLN A 26 7.181 -16.471 2.702 1.00 0.00 C ATOM 308 CG GLN A 26 6.079 -17.228 1.973 1.00 0.00 C ATOM 309 CD GLN A 26 5.873 -16.769 0.542 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.824 -16.429 -0.160 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.619 -16.759 0.104 1.00 0.00 N ATOM 0 H GLN A 26 7.356 -14.518 0.411 1.00 0.00 H new ATOM 0 HA GLN A 26 6.113 -14.671 2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.149 -16.867 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.088 -16.648 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.318 -18.291 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.145 -17.111 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.861 -17.049 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.414 -16.461 -0.850 1.00 0.00 H new ATOM 320 N LYS A 27 7.601 -12.867 3.529 1.00 0.00 N ATOM 321 CA LYS A 27 8.076 -11.985 4.588 1.00 0.00 C ATOM 322 C LYS A 27 7.592 -10.557 4.372 1.00 0.00 C ATOM 323 O LYS A 27 6.773 -10.293 3.490 1.00 0.00 O ATOM 324 CB LYS A 27 9.605 -12.004 4.633 1.00 0.00 C ATOM 325 CG LYS A 27 10.246 -11.661 3.297 1.00 0.00 C ATOM 326 CD LYS A 27 11.711 -11.281 3.445 1.00 0.00 C ATOM 327 CE LYS A 27 12.586 -12.484 3.768 1.00 0.00 C ATOM 328 NZ LYS A 27 12.359 -12.992 5.149 1.00 0.00 N ATOM 0 H LYS A 27 7.218 -12.382 2.718 1.00 0.00 H new ATOM 0 HA LYS A 27 7.674 -12.346 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.949 -11.296 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.941 -12.992 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.160 -12.514 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.703 -10.836 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.060 -10.817 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.814 -10.536 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.384 -13.281 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.635 -12.210 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.271 -13.246 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.900 -12.253 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.747 -13.832 5.114 1.00 0.00 H new ATOM 342 N TRP A 28 8.105 -9.639 5.185 1.00 0.00 N ATOM 343 CA TRP A 28 7.742 -8.231 5.080 1.00 0.00 C ATOM 344 C TRP A 28 8.942 -7.401 4.636 1.00 0.00 C ATOM 345 O TRP A 28 9.887 -7.201 5.399 1.00 0.00 O ATOM 346 CB TRP A 28 7.216 -7.709 6.418 1.00 0.00 C ATOM 347 CG TRP A 28 5.809 -8.131 6.711 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.412 -9.166 7.510 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.613 -7.527 6.209 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.041 -9.240 7.537 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.528 -8.246 6.744 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.351 -6.448 5.359 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.205 -7.922 6.458 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.037 -6.127 5.076 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.980 -6.861 5.624 1.00 0.00 C ATOM 0 H TRP A 28 8.775 -9.846 5.926 1.00 0.00 H new ATOM 0 HA TRP A 28 6.954 -8.139 4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.867 -8.062 7.218 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.269 -6.620 6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.079 -9.829 8.042 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.494 -9.923 8.061 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.161 -5.876 4.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.386 -8.487 6.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.823 -5.296 4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.964 -6.584 5.384 1.00 0.00 H new ATOM 366 N THR A 29 8.897 -6.924 3.397 1.00 0.00 N ATOM 367 CA THR A 29 9.980 -6.117 2.851 1.00 0.00 C ATOM 368 C THR A 29 9.610 -4.638 2.844 1.00 0.00 C ATOM 369 O THR A 29 8.452 -4.277 3.048 1.00 0.00 O ATOM 370 CB THR A 29 10.334 -6.551 1.418 1.00 0.00 C ATOM 371 OG1 THR A 29 9.169 -6.502 0.589 1.00 0.00 O ATOM 372 CG2 THR A 29 10.909 -7.959 1.404 1.00 0.00 C ATOM 0 H THR A 29 8.122 -7.082 2.753 1.00 0.00 H new ATOM 0 HA THR A 29 10.846 -6.271 3.494 1.00 0.00 H new ATOM 0 HB THR A 29 11.086 -5.863 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.680 -5.671 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.151 -8.243 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.813 -7.989 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.175 -8.656 1.810 1.00 0.00 H new ATOM 380 N ARG A 30 10.603 -3.786 2.609 1.00 0.00 N ATOM 381 CA ARG A 30 10.381 -2.344 2.576 1.00 0.00 C ATOM 382 C ARG A 30 10.276 -1.845 1.138 1.00 0.00 C ATOM 383 O ARG A 30 11.091 -2.201 0.286 1.00 0.00 O ATOM 384 CB ARG A 30 11.512 -1.617 3.304 1.00 0.00 C ATOM 385 CG ARG A 30 11.324 -0.110 3.370 1.00 0.00 C ATOM 386 CD ARG A 30 12.430 0.554 4.173 1.00 0.00 C ATOM 387 NE ARG A 30 12.453 0.094 5.559 1.00 0.00 N ATOM 388 CZ ARG A 30 13.395 0.436 6.434 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.387 1.235 6.068 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.343 -0.023 7.677 1.00 0.00 N ATOM 0 H ARG A 30 11.568 -4.068 2.439 1.00 0.00 H new ATOM 0 HA ARG A 30 9.440 -2.132 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.592 -2.009 4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.455 -1.835 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.309 0.301 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.358 0.118 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.392 0.345 3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.294 1.635 4.152 1.00 0.00 H new ATOM 0 HE ARG A 30 11.705 -0.524 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.430 1.590 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.107 1.495 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.581 -0.638 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.065 0.239 8.348 1.00 0.00 H new ATOM 404 N HIS A 31 9.269 -1.018 0.874 1.00 0.00 N ATOM 405 CA HIS A 31 9.056 -0.471 -0.461 1.00 0.00 C ATOM 406 C HIS A 31 8.839 1.036 -0.403 1.00 0.00 C ATOM 407 O HIS A 31 8.247 1.550 0.546 1.00 0.00 O ATOM 408 CB HIS A 31 7.839 -1.126 -1.123 1.00 0.00 C ATOM 409 CG HIS A 31 7.744 -2.604 -0.911 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.039 -3.526 -1.892 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.364 -3.320 0.174 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.842 -4.744 -1.421 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.434 -4.647 -0.170 1.00 0.00 N ATOM 0 H HIS A 31 8.587 -0.712 1.568 1.00 0.00 H new ATOM 0 HA HIS A 31 9.949 -0.682 -1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.934 -0.657 -0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.871 -0.926 -2.194 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.359 -3.303 -2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.062 -2.921 1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.990 -5.664 -1.967 1.00 0.00 H new ATOM 422 N TYR A 32 9.321 1.740 -1.421 1.00 0.00 N ATOM 423 CA TYR A 32 9.154 3.187 -1.488 1.00 0.00 C ATOM 424 C TYR A 32 7.849 3.518 -2.200 1.00 0.00 C ATOM 425 O TYR A 32 7.788 3.540 -3.431 1.00 0.00 O ATOM 426 CB TYR A 32 10.334 3.836 -2.213 1.00 0.00 C ATOM 427 CG TYR A 32 10.390 5.338 -2.055 1.00 0.00 C ATOM 428 CD1 TYR A 32 11.064 5.916 -0.986 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.769 6.177 -2.970 1.00 0.00 C ATOM 430 CE1 TYR A 32 11.118 7.289 -0.835 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.818 7.551 -2.826 1.00 0.00 C ATOM 432 CZ TYR A 32 10.494 8.102 -1.757 1.00 0.00 C ATOM 433 OH TYR A 32 10.545 9.469 -1.610 1.00 0.00 O ATOM 0 H TYR A 32 9.828 1.335 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 32 9.121 3.584 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.262 3.405 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.276 3.593 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.554 5.282 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.239 5.749 -3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.646 7.723 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.330 8.190 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 32 10.829 9.878 -2.454 1.00 0.00 H new ATOM 443 N CYS A 33 6.804 3.766 -1.419 1.00 0.00 N ATOM 444 CA CYS A 33 5.490 4.074 -1.969 1.00 0.00 C ATOM 445 C CYS A 33 5.350 5.554 -2.306 1.00 0.00 C ATOM 446 O CYS A 33 6.020 6.406 -1.722 1.00 0.00 O ATOM 447 CB CYS A 33 4.399 3.657 -0.983 1.00 0.00 C ATOM 448 SG CYS A 33 4.310 1.876 -0.689 1.00 0.00 S ATOM 0 H CYS A 33 6.842 3.760 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 33 5.379 3.511 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.571 4.163 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.435 4.001 -1.358 1.00 0.00 H new ATOM 0 HG CYS A 33 3.235 1.601 -0.012 1.00 0.00 H new ATOM 454 N ALA A 34 4.469 5.843 -3.258 1.00 0.00 N ATOM 455 CA ALA A 34 4.212 7.210 -3.690 1.00 0.00 C ATOM 456 C ALA A 34 2.948 7.269 -4.540 1.00 0.00 C ATOM 457 O ALA A 34 2.886 6.676 -5.617 1.00 0.00 O ATOM 458 CB ALA A 34 5.401 7.757 -4.466 1.00 0.00 C ATOM 0 H ALA A 34 3.916 5.140 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 34 4.064 7.830 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.191 8.779 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.286 7.748 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.579 7.136 -5.344 1.00 0.00 H new ATOM 464 N ILE A 35 1.943 7.988 -4.053 1.00 0.00 N ATOM 465 CA ILE A 35 0.677 8.109 -4.767 1.00 0.00 C ATOM 466 C ILE A 35 0.702 9.276 -5.747 1.00 0.00 C ATOM 467 O ILE A 35 0.969 10.417 -5.367 1.00 0.00 O ATOM 468 CB ILE A 35 -0.500 8.294 -3.789 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.573 7.109 -2.822 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.809 8.446 -4.551 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.608 7.276 -1.730 1.00 0.00 C ATOM 0 H ILE A 35 1.980 8.495 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 35 0.537 7.182 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.335 9.204 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.797 6.204 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.405 6.965 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.629 8.576 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.751 9.317 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.986 7.554 -5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.601 6.398 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.374 8.162 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.595 7.389 -2.178 1.00 0.00 H new ATOM 483 N ALA A 36 0.421 8.978 -7.013 1.00 0.00 N ATOM 484 CA ALA A 36 0.406 9.997 -8.055 1.00 0.00 C ATOM 485 C ALA A 36 -0.928 10.001 -8.790 1.00 0.00 C ATOM 486 O ALA A 36 -1.407 8.955 -9.227 1.00 0.00 O ATOM 487 CB ALA A 36 1.550 9.770 -9.031 1.00 0.00 C ATOM 0 H ALA A 36 0.201 8.038 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 36 0.537 10.971 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.527 10.538 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.499 9.821 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.445 8.788 -9.492 1.00 0.00 H new ATOM 493 N ASP A 37 -1.522 11.186 -8.923 1.00 0.00 N ATOM 494 CA ASP A 37 -2.807 11.338 -9.601 1.00 0.00 C ATOM 495 C ASP A 37 -3.917 10.616 -8.841 1.00 0.00 C ATOM 496 O ASP A 37 -4.661 11.236 -8.081 1.00 0.00 O ATOM 497 CB ASP A 37 -2.725 10.813 -11.037 1.00 0.00 C ATOM 498 CG ASP A 37 -1.676 11.536 -11.859 1.00 0.00 C ATOM 499 OD1 ASP A 37 -2.014 12.564 -12.482 1.00 0.00 O ATOM 500 OD2 ASP A 37 -0.516 11.074 -11.880 1.00 0.00 O ATOM 0 H ASP A 37 -1.131 12.059 -8.568 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.045 12.401 -9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.497 9.747 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.698 10.923 -11.517 1.00 0.00 H new ATOM 505 N ALA A 38 -4.024 9.307 -9.048 1.00 0.00 N ATOM 506 CA ALA A 38 -5.045 8.510 -8.377 1.00 0.00 C ATOM 507 C ALA A 38 -4.585 7.068 -8.180 1.00 0.00 C ATOM 508 O ALA A 38 -5.380 6.199 -7.821 1.00 0.00 O ATOM 509 CB ALA A 38 -6.343 8.546 -9.167 1.00 0.00 C ATOM 0 H ALA A 38 -3.418 8.777 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.216 8.944 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.097 7.947 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.691 9.576 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.173 8.141 -10.165 1.00 0.00 H new ATOM 515 N LYS A 39 -3.301 6.818 -8.417 1.00 0.00 N ATOM 516 CA LYS A 39 -2.742 5.480 -8.262 1.00 0.00 C ATOM 517 C LYS A 39 -1.533 5.494 -7.333 1.00 0.00 C ATOM 518 O LYS A 39 -1.073 6.555 -6.915 1.00 0.00 O ATOM 519 CB LYS A 39 -2.351 4.911 -9.623 1.00 0.00 C ATOM 520 CG LYS A 39 -3.543 4.677 -10.535 1.00 0.00 C ATOM 521 CD LYS A 39 -3.122 4.076 -11.866 1.00 0.00 C ATOM 522 CE LYS A 39 -4.284 4.019 -12.843 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.872 3.475 -14.166 1.00 0.00 N ATOM 0 H LYS A 39 -2.629 7.524 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.506 4.844 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.657 5.595 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.821 3.969 -9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.253 4.012 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.059 5.621 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.314 4.668 -12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.731 3.071 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.078 3.399 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.697 5.019 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.417 3.942 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.858 3.651 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.053 2.451 -14.192 1.00 0.00 H new ATOM 537 N LEU A 40 -1.025 4.306 -7.014 1.00 0.00 N ATOM 538 CA LEU A 40 0.128 4.183 -6.127 1.00 0.00 C ATOM 539 C LEU A 40 1.281 3.447 -6.807 1.00 0.00 C ATOM 540 O LEU A 40 1.159 2.278 -7.166 1.00 0.00 O ATOM 541 CB LEU A 40 -0.274 3.451 -4.844 1.00 0.00 C ATOM 542 CG LEU A 40 0.890 2.958 -3.984 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.729 4.128 -3.497 1.00 0.00 C ATOM 544 CD2 LEU A 40 0.375 2.141 -2.808 1.00 0.00 C ATOM 0 H LEU A 40 -1.392 3.418 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 40 0.470 5.188 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.892 4.118 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.895 2.596 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 40 1.523 2.316 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.552 3.756 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.129 4.671 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.109 4.797 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.217 1.798 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.281 2.759 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.181 1.280 -3.179 1.00 0.00 H new ATOM 556 N SER A 41 2.407 4.137 -6.968 1.00 0.00 N ATOM 557 CA SER A 41 3.584 3.545 -7.597 1.00 0.00 C ATOM 558 C SER A 41 4.608 3.132 -6.545 1.00 0.00 C ATOM 559 O SER A 41 5.240 3.980 -5.914 1.00 0.00 O ATOM 560 CB SER A 41 4.218 4.532 -8.581 1.00 0.00 C ATOM 561 OG SER A 41 4.470 5.781 -7.962 1.00 0.00 O ATOM 0 H SER A 41 2.529 5.105 -6.672 1.00 0.00 H new ATOM 0 HA SER A 41 3.266 2.656 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.151 4.119 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.556 4.673 -9.436 1.00 0.00 H new ATOM 0 HG SER A 41 4.801 5.634 -7.051 1.00 0.00 H new ATOM 567 N PHE A 42 4.767 1.825 -6.360 1.00 0.00 N ATOM 568 CA PHE A 42 5.714 1.302 -5.382 1.00 0.00 C ATOM 569 C PHE A 42 6.996 0.830 -6.062 1.00 0.00 C ATOM 570 O PHE A 42 6.959 0.274 -7.159 1.00 0.00 O ATOM 571 CB PHE A 42 5.085 0.152 -4.593 1.00 0.00 C ATOM 572 CG PHE A 42 4.567 -0.964 -5.457 1.00 0.00 C ATOM 573 CD1 PHE A 42 5.387 -2.026 -5.805 1.00 0.00 C ATOM 574 CD2 PHE A 42 3.261 -0.951 -5.917 1.00 0.00 C ATOM 575 CE1 PHE A 42 4.913 -3.054 -6.598 1.00 0.00 C ATOM 576 CE2 PHE A 42 2.781 -1.977 -6.710 1.00 0.00 C ATOM 577 CZ PHE A 42 3.608 -3.029 -7.051 1.00 0.00 C ATOM 0 H PHE A 42 4.253 1.110 -6.874 1.00 0.00 H new ATOM 0 HA PHE A 42 5.967 2.108 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.826 -0.250 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.265 0.543 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.408 -2.050 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.610 -0.130 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.562 -3.876 -6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.760 -1.956 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.235 -3.831 -7.671 1.00 0.00 H new ATOM 587 N SER A 43 8.129 1.057 -5.403 1.00 0.00 N ATOM 588 CA SER A 43 9.423 0.655 -5.946 1.00 0.00 C ATOM 589 C SER A 43 9.760 -0.777 -5.543 1.00 0.00 C ATOM 590 O SER A 43 9.045 -1.396 -4.756 1.00 0.00 O ATOM 591 CB SER A 43 10.523 1.600 -5.459 1.00 0.00 C ATOM 592 OG SER A 43 10.698 1.497 -4.057 1.00 0.00 O ATOM 0 H SER A 43 8.177 1.516 -4.494 1.00 0.00 H new ATOM 0 HA SER A 43 9.362 0.707 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.460 1.364 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.268 2.627 -5.723 1.00 0.00 H new ATOM 0 HG SER A 43 11.581 1.843 -3.811 1.00 0.00 H new ATOM 598 N ASP A 44 10.855 -1.296 -6.092 1.00 0.00 N ATOM 599 CA ASP A 44 11.293 -2.653 -5.788 1.00 0.00 C ATOM 600 C ASP A 44 11.961 -2.708 -4.418 1.00 0.00 C ATOM 601 O ASP A 44 12.308 -1.673 -3.847 1.00 0.00 O ATOM 602 CB ASP A 44 12.266 -3.150 -6.859 1.00 0.00 C ATOM 603 CG ASP A 44 13.505 -2.283 -6.963 1.00 0.00 C ATOM 604 OD1 ASP A 44 14.488 -2.564 -6.246 1.00 0.00 O ATOM 605 OD2 ASP A 44 13.492 -1.321 -7.761 1.00 0.00 O ATOM 0 H ASP A 44 11.454 -0.797 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 44 10.415 -3.299 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.561 -4.174 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.759 -3.172 -7.824 1.00 0.00 H new ATOM 610 N ASP A 45 12.132 -3.918 -3.891 1.00 0.00 N ATOM 611 CA ASP A 45 12.764 -4.104 -2.589 1.00 0.00 C ATOM 612 C ASP A 45 14.089 -3.350 -2.524 1.00 0.00 C ATOM 613 O ASP A 45 14.950 -3.519 -3.386 1.00 0.00 O ATOM 614 CB ASP A 45 12.996 -5.593 -2.324 1.00 0.00 C ATOM 615 CG ASP A 45 11.738 -6.417 -2.517 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.480 -6.847 -3.661 1.00 0.00 O ATOM 617 OD2 ASP A 45 11.011 -6.633 -1.525 1.00 0.00 O ATOM 0 H ASP A 45 11.842 -4.784 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 45 12.099 -3.706 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.774 -5.961 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.361 -5.725 -1.306 1.00 0.00 H new ATOM 622 N ILE A 46 14.245 -2.517 -1.499 1.00 0.00 N ATOM 623 CA ILE A 46 15.464 -1.733 -1.335 1.00 0.00 C ATOM 624 C ILE A 46 16.405 -2.362 -0.313 1.00 0.00 C ATOM 625 O ILE A 46 17.621 -2.188 -0.391 1.00 0.00 O ATOM 626 CB ILE A 46 15.147 -0.285 -0.909 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.403 -0.270 0.430 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.327 0.413 -1.984 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.139 1.123 0.963 1.00 0.00 C ATOM 0 H ILE A 46 13.545 -2.368 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 46 15.958 -1.720 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 46 16.086 0.254 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.453 -0.791 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.984 -0.827 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 46 14.110 1.434 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.891 0.432 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.392 -0.126 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.609 1.055 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.086 1.641 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.531 1.677 0.248 1.00 0.00 H new ATOM 641 N GLU A 47 15.840 -3.094 0.642 1.00 0.00 N ATOM 642 CA GLU A 47 16.640 -3.744 1.674 1.00 0.00 C ATOM 643 C GLU A 47 17.011 -5.163 1.262 1.00 0.00 C ATOM 644 O GLU A 47 18.177 -5.554 1.326 1.00 0.00 O ATOM 645 CB GLU A 47 15.882 -3.765 3.002 1.00 0.00 C ATOM 646 CG GLU A 47 15.513 -2.381 3.507 1.00 0.00 C ATOM 647 CD GLU A 47 14.988 -2.400 4.930 1.00 0.00 C ATOM 648 OE1 GLU A 47 13.777 -2.641 5.112 1.00 0.00 O ATOM 649 OE2 GLU A 47 15.789 -2.173 5.861 1.00 0.00 O ATOM 0 H GLU A 47 14.835 -3.252 0.723 1.00 0.00 H new ATOM 0 HA GLU A 47 17.559 -3.171 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.973 -4.355 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.493 -4.267 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.389 -1.734 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.758 -1.948 2.851 1.00 0.00 H new ATOM 656 N GLN A 48 16.013 -5.932 0.841 1.00 0.00 N ATOM 657 CA GLN A 48 16.238 -7.307 0.414 1.00 0.00 C ATOM 658 C GLN A 48 16.684 -7.348 -1.042 1.00 0.00 C ATOM 659 O GLN A 48 17.573 -8.117 -1.405 1.00 0.00 O ATOM 660 CB GLN A 48 14.965 -8.138 0.596 1.00 0.00 C ATOM 661 CG GLN A 48 14.494 -8.227 2.040 1.00 0.00 C ATOM 662 CD GLN A 48 15.399 -9.084 2.905 1.00 0.00 C ATOM 663 OE1 GLN A 48 16.604 -9.179 2.665 1.00 0.00 O ATOM 664 NE2 GLN A 48 14.821 -9.716 3.919 1.00 0.00 N ATOM 0 H GLN A 48 15.041 -5.626 0.786 1.00 0.00 H new ATOM 0 HA GLN A 48 17.027 -7.733 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.169 -7.705 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.142 -9.145 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.441 -7.223 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.484 -8.636 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.820 -9.610 4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.378 -10.308 4.535 1.00 0.00 H new ATOM 673 N THR A 49 16.057 -6.508 -1.863 1.00 0.00 N ATOM 674 CA THR A 49 16.370 -6.419 -3.289 1.00 0.00 C ATOM 675 C THR A 49 16.300 -7.782 -3.972 1.00 0.00 C ATOM 676 O THR A 49 17.131 -8.658 -3.733 1.00 0.00 O ATOM 677 CB THR A 49 17.760 -5.801 -3.531 1.00 0.00 C ATOM 678 OG1 THR A 49 18.785 -6.668 -3.034 1.00 0.00 O ATOM 679 CG2 THR A 49 17.870 -4.440 -2.857 1.00 0.00 C ATOM 0 H THR A 49 15.320 -5.871 -1.560 1.00 0.00 H new ATOM 0 HA THR A 49 15.613 -5.768 -3.725 1.00 0.00 H new ATOM 0 HB THR A 49 17.890 -5.673 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.392 -7.531 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.860 -4.022 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.112 -3.770 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.717 -4.552 -1.784 1.00 0.00 H new ATOM 687 N MET A 50 15.306 -7.946 -4.836 1.00 0.00 N ATOM 688 CA MET A 50 15.117 -9.198 -5.560 1.00 0.00 C ATOM 689 C MET A 50 15.870 -9.176 -6.886 1.00 0.00 C ATOM 690 O MET A 50 15.745 -10.092 -7.699 1.00 0.00 O ATOM 691 CB MET A 50 13.629 -9.447 -5.810 1.00 0.00 C ATOM 692 CG MET A 50 12.811 -9.577 -4.536 1.00 0.00 C ATOM 693 SD MET A 50 11.055 -9.832 -4.857 1.00 0.00 S ATOM 694 CE MET A 50 11.094 -11.386 -5.749 1.00 0.00 C ATOM 0 H MET A 50 14.617 -7.226 -5.053 1.00 0.00 H new ATOM 0 HA MET A 50 15.516 -10.007 -4.948 1.00 0.00 H new ATOM 0 HB2 MET A 50 13.228 -8.628 -6.407 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.515 -10.357 -6.399 1.00 0.00 H new ATOM 0 HG2 MET A 50 13.193 -10.411 -3.948 1.00 0.00 H new ATOM 0 HG3 MET A 50 12.939 -8.677 -3.934 1.00 0.00 H new ATOM 0 HE1 MET A 50 10.075 -11.740 -5.909 1.00 0.00 H new ATOM 0 HE2 MET A 50 11.583 -11.240 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 50 11.648 -12.125 -5.169 1.00 0.00 H new ATOM 704 N GLU A 51 16.655 -8.124 -7.095 1.00 0.00 N ATOM 705 CA GLU A 51 17.430 -7.979 -8.321 1.00 0.00 C ATOM 706 C GLU A 51 18.510 -9.052 -8.417 1.00 0.00 C ATOM 707 O GLU A 51 19.379 -9.151 -7.550 1.00 0.00 O ATOM 708 CB GLU A 51 18.072 -6.591 -8.382 1.00 0.00 C ATOM 709 CG GLU A 51 17.062 -5.457 -8.426 1.00 0.00 C ATOM 710 CD GLU A 51 17.719 -4.091 -8.410 1.00 0.00 C ATOM 711 OE1 GLU A 51 18.019 -3.563 -9.501 1.00 0.00 O ATOM 712 OE2 GLU A 51 17.933 -3.549 -7.305 1.00 0.00 O ATOM 0 H GLU A 51 16.771 -7.359 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 51 16.750 -8.098 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.717 -6.459 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.710 -6.533 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.453 -5.553 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.388 -5.542 -7.573 1.00 0.00 H new ATOM 719 N GLU A 52 18.447 -9.855 -9.474 1.00 0.00 N ATOM 720 CA GLU A 52 19.421 -10.919 -9.685 1.00 0.00 C ATOM 721 C GLU A 52 20.812 -10.337 -9.905 1.00 0.00 C ATOM 722 O GLU A 52 21.722 -10.551 -9.103 1.00 0.00 O ATOM 723 CB GLU A 52 19.019 -11.775 -10.887 1.00 0.00 C ATOM 724 CG GLU A 52 19.912 -12.987 -11.097 1.00 0.00 C ATOM 725 CD GLU A 52 19.475 -13.836 -12.275 1.00 0.00 C ATOM 726 OE1 GLU A 52 19.933 -13.564 -13.404 1.00 0.00 O ATOM 727 OE2 GLU A 52 18.673 -14.771 -12.068 1.00 0.00 O ATOM 0 H GLU A 52 17.731 -9.789 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 52 19.442 -11.546 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.990 -12.111 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.041 -11.158 -11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.938 -12.655 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.909 -13.597 -10.193 1.00 0.00 H new ATOM 734 N ASP A 53 20.966 -9.601 -10.998 1.00 0.00 N ATOM 735 CA ASP A 53 22.243 -8.978 -11.330 1.00 0.00 C ATOM 736 C ASP A 53 22.130 -7.458 -11.277 1.00 0.00 C ATOM 737 O ASP A 53 22.974 -6.743 -11.815 1.00 0.00 O ATOM 738 CB ASP A 53 22.701 -9.419 -12.722 1.00 0.00 C ATOM 739 CG ASP A 53 22.883 -10.922 -12.821 1.00 0.00 C ATOM 740 OD1 ASP A 53 23.993 -11.407 -12.520 1.00 0.00 O ATOM 741 OD2 ASP A 53 21.914 -11.613 -13.200 1.00 0.00 O ATOM 0 H ASP A 53 20.222 -9.420 -11.672 1.00 0.00 H new ATOM 0 HA ASP A 53 22.981 -9.298 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.969 -9.095 -13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.642 -8.925 -12.966 1.00 0.00 H new ATOM 746 N ASN A 54 21.079 -6.976 -10.618 1.00 0.00 N ATOM 747 CA ASN A 54 20.842 -5.541 -10.489 1.00 0.00 C ATOM 748 C ASN A 54 20.751 -4.880 -11.864 1.00 0.00 C ATOM 749 O ASN A 54 21.647 -4.138 -12.266 1.00 0.00 O ATOM 750 CB ASN A 54 21.949 -4.887 -9.659 1.00 0.00 C ATOM 751 CG ASN A 54 21.699 -3.411 -9.418 1.00 0.00 C ATOM 752 OD1 ASN A 54 22.134 -2.560 -10.193 1.00 0.00 O ATOM 753 ND2 ASN A 54 20.992 -3.100 -8.337 1.00 0.00 N ATOM 0 H ASN A 54 20.377 -7.560 -10.164 1.00 0.00 H new ATOM 0 HA ASN A 54 19.891 -5.399 -9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 54 22.031 -5.400 -8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 54 22.904 -5.012 -10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.791 -2.123 -8.123 1.00 0.00 H new ATOM 0 HD22 ASN A 54 20.650 -3.838 -7.721 1.00 0.00 H new ATOM 760 N PRO A 55 19.665 -5.155 -12.609 1.00 0.00 N ATOM 761 CA PRO A 55 19.453 -4.586 -13.943 1.00 0.00 C ATOM 762 C PRO A 55 19.169 -3.089 -13.890 1.00 0.00 C ATOM 763 O PRO A 55 19.911 -2.285 -14.454 1.00 0.00 O ATOM 764 CB PRO A 55 18.227 -5.343 -14.480 1.00 0.00 C ATOM 765 CG PRO A 55 18.025 -6.492 -13.547 1.00 0.00 C ATOM 766 CD PRO A 55 18.563 -6.045 -12.221 1.00 0.00 C ATOM 0 HA PRO A 55 20.337 -4.693 -14.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 17.348 -4.699 -14.505 1.00 0.00 H new ATOM 0 HB3 PRO A 55 18.396 -5.690 -15.499 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.969 -6.753 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.549 -7.380 -13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.809 -5.524 -11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 55 18.912 -6.885 -11.621 1.00 0.00 H new ATOM 774 N LEU A 56 18.090 -2.727 -13.207 1.00 0.00 N ATOM 775 CA LEU A 56 17.700 -1.327 -13.073 1.00 0.00 C ATOM 776 C LEU A 56 16.645 -1.161 -11.984 1.00 0.00 C ATOM 777 O LEU A 56 15.498 -1.581 -12.147 1.00 0.00 O ATOM 778 CB LEU A 56 17.165 -0.795 -14.404 1.00 0.00 C ATOM 779 CG LEU A 56 16.832 0.699 -14.416 1.00 0.00 C ATOM 780 CD1 LEU A 56 18.096 1.530 -14.252 1.00 0.00 C ATOM 781 CD2 LEU A 56 16.107 1.073 -15.699 1.00 0.00 C ATOM 0 H LEU A 56 17.468 -3.384 -12.736 1.00 0.00 H new ATOM 0 HA LEU A 56 18.583 -0.754 -12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.903 -0.994 -15.181 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.267 -1.354 -14.667 1.00 0.00 H new ATOM 0 HG LEU A 56 16.172 0.911 -13.575 1.00 0.00 H new ATOM 0 HD11 LEU A 56 17.839 2.589 -14.263 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.574 1.282 -13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.782 1.315 -15.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.878 2.139 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.742 0.845 -16.555 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.180 0.504 -15.773 1.00 0.00 H new ATOM 793 N GLY A 57 17.040 -0.545 -10.873 1.00 0.00 N ATOM 794 CA GLY A 57 16.118 -0.335 -9.772 1.00 0.00 C ATOM 795 C GLY A 57 15.296 0.929 -9.937 1.00 0.00 C ATOM 796 O GLY A 57 15.569 1.943 -9.293 1.00 0.00 O ATOM 0 H GLY A 57 17.982 -0.188 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.449 -1.192 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.678 -0.281 -8.838 1.00 0.00 H new ATOM 800 N SER A 58 14.288 0.869 -10.802 1.00 0.00 N ATOM 801 CA SER A 58 13.424 2.018 -11.051 1.00 0.00 C ATOM 802 C SER A 58 12.623 2.375 -9.803 1.00 0.00 C ATOM 803 O SER A 58 12.494 1.565 -8.883 1.00 0.00 O ATOM 804 CB SER A 58 12.474 1.725 -12.214 1.00 0.00 C ATOM 805 OG SER A 58 11.652 0.605 -11.934 1.00 0.00 O ATOM 0 H SER A 58 14.049 0.037 -11.342 1.00 0.00 H new ATOM 0 HA SER A 58 14.055 2.867 -11.312 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.850 2.598 -12.407 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.051 1.539 -13.120 1.00 0.00 H new ATOM 0 HG SER A 58 11.054 0.441 -12.692 1.00 0.00 H new ATOM 811 N LEU A 59 12.086 3.591 -9.777 1.00 0.00 N ATOM 812 CA LEU A 59 11.299 4.054 -8.640 1.00 0.00 C ATOM 813 C LEU A 59 9.888 3.475 -8.693 1.00 0.00 C ATOM 814 O LEU A 59 9.300 3.150 -7.664 1.00 0.00 O ATOM 815 CB LEU A 59 11.242 5.586 -8.623 1.00 0.00 C ATOM 816 CG LEU A 59 11.099 6.230 -7.236 1.00 0.00 C ATOM 817 CD1 LEU A 59 9.749 5.898 -6.618 1.00 0.00 C ATOM 818 CD2 LEU A 59 12.231 5.791 -6.319 1.00 0.00 C ATOM 0 H LEU A 59 12.182 4.273 -10.530 1.00 0.00 H new ATOM 0 HA LEU A 59 11.780 3.709 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.148 5.971 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.404 5.907 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 59 11.158 7.311 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.673 6.366 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.953 6.272 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.653 4.817 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.110 6.259 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.209 4.707 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.186 6.092 -6.750 1.00 0.00 H new ATOM 830 N CYS A 60 9.348 3.348 -9.901 1.00 0.00 N ATOM 831 CA CYS A 60 8.008 2.803 -10.078 1.00 0.00 C ATOM 832 C CYS A 60 8.068 1.347 -10.530 1.00 0.00 C ATOM 833 O CYS A 60 7.950 1.049 -11.718 1.00 0.00 O ATOM 834 CB CYS A 60 7.220 3.637 -11.089 1.00 0.00 C ATOM 835 SG CYS A 60 5.546 3.029 -11.403 1.00 0.00 S ATOM 0 H CYS A 60 9.816 3.614 -10.768 1.00 0.00 H new ATOM 0 HA CYS A 60 7.497 2.843 -9.116 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.160 4.664 -10.729 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.769 3.661 -12.030 1.00 0.00 H new ATOM 0 HG CYS A 60 4.959 3.801 -12.269 1.00 0.00 H new ATOM 841 N ARG A 61 8.265 0.447 -9.571 1.00 0.00 N ATOM 842 CA ARG A 61 8.339 -0.980 -9.862 1.00 0.00 C ATOM 843 C ARG A 61 6.971 -1.514 -10.273 1.00 0.00 C ATOM 844 O ARG A 61 6.870 -2.477 -11.032 1.00 0.00 O ATOM 845 CB ARG A 61 8.854 -1.740 -8.637 1.00 0.00 C ATOM 846 CG ARG A 61 9.008 -3.236 -8.865 1.00 0.00 C ATOM 847 CD ARG A 61 10.111 -3.538 -9.866 1.00 0.00 C ATOM 848 NE ARG A 61 10.239 -4.969 -10.126 1.00 0.00 N ATOM 849 CZ ARG A 61 11.144 -5.491 -10.948 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.999 -4.704 -11.587 1.00 0.00 N ATOM 851 NH2 ARG A 61 11.196 -6.803 -11.131 1.00 0.00 N ATOM 0 H ARG A 61 8.376 0.682 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 61 9.032 -1.130 -10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.818 -1.325 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.169 -1.577 -7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.230 -3.728 -7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.066 -3.649 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.904 -3.017 -10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.058 -3.152 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 61 9.598 -5.604 -9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.964 -3.694 -11.449 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.692 -5.109 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.541 -7.413 -10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.891 -7.203 -11.762 1.00 0.00 H new ATOM 865 N GLY A 62 5.923 -0.875 -9.763 1.00 0.00 N ATOM 866 CA GLY A 62 4.571 -1.290 -10.082 1.00 0.00 C ATOM 867 C GLY A 62 3.539 -0.270 -9.643 1.00 0.00 C ATOM 868 O GLY A 62 3.738 0.438 -8.656 1.00 0.00 O ATOM 0 H GLY A 62 5.987 -0.075 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.486 -1.450 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.363 -2.245 -9.600 1.00 0.00 H new ATOM 872 N ILE A 63 2.436 -0.191 -10.378 1.00 0.00 N ATOM 873 CA ILE A 63 1.371 0.751 -10.059 1.00 0.00 C ATOM 874 C ILE A 63 0.121 0.024 -9.576 1.00 0.00 C ATOM 875 O ILE A 63 -0.257 -1.013 -10.120 1.00 0.00 O ATOM 876 CB ILE A 63 1.006 1.625 -11.277 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.232 2.408 -11.755 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.133 2.572 -10.926 1.00 0.00 C ATOM 879 CD1 ILE A 63 1.967 3.272 -12.969 1.00 0.00 C ATOM 0 H ILE A 63 2.256 -0.768 -11.199 1.00 0.00 H new ATOM 0 HA ILE A 63 1.746 1.393 -9.262 1.00 0.00 H new ATOM 0 HB ILE A 63 0.675 0.976 -12.088 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.588 3.040 -10.941 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.033 1.706 -11.988 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.380 3.182 -11.795 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.008 1.994 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.172 3.219 -10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.881 3.796 -13.249 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.640 2.644 -13.798 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.189 3.999 -12.735 1.00 0.00 H new ATOM 891 N LEU A 64 -0.514 0.578 -8.548 1.00 0.00 N ATOM 892 CA LEU A 64 -1.724 -0.008 -7.987 1.00 0.00 C ATOM 893 C LEU A 64 -2.933 0.858 -8.313 1.00 0.00 C ATOM 894 O LEU A 64 -3.162 1.886 -7.672 1.00 0.00 O ATOM 895 CB LEU A 64 -1.580 -0.162 -6.469 1.00 0.00 C ATOM 896 CG LEU A 64 -2.540 -1.156 -5.805 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.515 -2.498 -6.524 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.177 -1.333 -4.340 1.00 0.00 C ATOM 0 H LEU A 64 -0.209 1.435 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.872 -0.993 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.558 -0.471 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.723 0.815 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.551 -0.755 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.204 -3.186 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.817 -2.360 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.506 -2.910 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.865 -2.041 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.158 -1.713 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.247 -0.373 -3.829 1.00 0.00 H new ATOM 910 N ASP A 65 -3.693 0.447 -9.324 1.00 0.00 N ATOM 911 CA ASP A 65 -4.881 1.184 -9.734 1.00 0.00 C ATOM 912 C ASP A 65 -5.873 1.277 -8.580 1.00 0.00 C ATOM 913 O ASP A 65 -6.604 0.327 -8.302 1.00 0.00 O ATOM 914 CB ASP A 65 -5.541 0.501 -10.934 1.00 0.00 C ATOM 915 CG ASP A 65 -4.580 0.303 -12.089 1.00 0.00 C ATOM 916 OD1 ASP A 65 -3.699 -0.577 -11.984 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.711 1.022 -13.102 1.00 0.00 O ATOM 0 H ASP A 65 -3.506 -0.392 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.580 2.191 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.937 -0.466 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.388 1.100 -11.269 1.00 0.00 H new ATOM 922 N LEU A 66 -5.892 2.424 -7.911 1.00 0.00 N ATOM 923 CA LEU A 66 -6.789 2.636 -6.782 1.00 0.00 C ATOM 924 C LEU A 66 -8.213 2.925 -7.255 1.00 0.00 C ATOM 925 O LEU A 66 -8.987 3.582 -6.560 1.00 0.00 O ATOM 926 CB LEU A 66 -6.277 3.781 -5.908 1.00 0.00 C ATOM 927 CG LEU A 66 -4.889 3.557 -5.300 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.414 4.808 -4.578 1.00 0.00 C ATOM 929 CD2 LEU A 66 -4.904 2.366 -4.354 1.00 0.00 C ATOM 0 H LEU A 66 -5.296 3.222 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.810 1.721 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.253 4.692 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.989 3.948 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.191 3.342 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.426 4.630 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.361 5.637 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.114 5.055 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.909 2.224 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.616 2.549 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.198 1.470 -4.901 1.00 0.00 H new ATOM 941 N ASN A 67 -8.550 2.423 -8.439 1.00 0.00 N ATOM 942 CA ASN A 67 -9.878 2.617 -9.003 1.00 0.00 C ATOM 943 C ASN A 67 -10.630 1.291 -9.074 1.00 0.00 C ATOM 944 O ASN A 67 -11.813 1.252 -9.414 1.00 0.00 O ATOM 945 CB ASN A 67 -9.779 3.236 -10.398 1.00 0.00 C ATOM 946 CG ASN A 67 -9.060 4.571 -10.388 1.00 0.00 C ATOM 947 OD1 ASN A 67 -7.839 4.632 -10.540 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.814 5.649 -10.207 1.00 0.00 N ATOM 0 H ASN A 67 -7.919 1.878 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.429 3.297 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.254 2.549 -11.061 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.781 3.369 -10.805 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.385 6.574 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.822 5.552 -10.085 1.00 0.00 H new ATOM 955 N THR A 68 -9.931 0.205 -8.751 1.00 0.00 N ATOM 956 CA THR A 68 -10.528 -1.126 -8.778 1.00 0.00 C ATOM 957 C THR A 68 -10.041 -1.978 -7.610 1.00 0.00 C ATOM 958 O THR A 68 -9.459 -3.046 -7.806 1.00 0.00 O ATOM 959 CB THR A 68 -10.215 -1.857 -10.097 1.00 0.00 C ATOM 960 OG1 THR A 68 -8.804 -1.841 -10.345 1.00 0.00 O ATOM 961 CG2 THR A 68 -10.949 -1.211 -11.263 1.00 0.00 C ATOM 0 H THR A 68 -8.951 0.222 -8.468 1.00 0.00 H new ATOM 0 HA THR A 68 -11.606 -0.986 -8.694 1.00 0.00 H new ATOM 0 HB THR A 68 -10.554 -2.889 -10.003 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.344 -2.360 -9.652 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.712 -1.745 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.024 -1.254 -11.085 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.638 -0.170 -11.357 1.00 0.00 H new ATOM 969 N TYR A 69 -10.278 -1.497 -6.394 1.00 0.00 N ATOM 970 CA TYR A 69 -9.876 -2.216 -5.189 1.00 0.00 C ATOM 971 C TYR A 69 -10.781 -1.862 -4.015 1.00 0.00 C ATOM 972 O TYR A 69 -11.599 -0.946 -4.099 1.00 0.00 O ATOM 973 CB TYR A 69 -8.423 -1.897 -4.819 1.00 0.00 C ATOM 974 CG TYR A 69 -7.402 -2.794 -5.480 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.131 -4.058 -4.971 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.703 -2.377 -6.606 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.196 -4.882 -5.565 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.767 -3.197 -7.207 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.517 -4.447 -6.683 1.00 0.00 C ATOM 980 OH TYR A 69 -4.584 -5.265 -7.279 1.00 0.00 O ATOM 0 H TYR A 69 -10.748 -0.609 -6.216 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.966 -3.281 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.210 -0.863 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.311 -1.973 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.661 -4.402 -4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.894 -1.397 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.998 -5.862 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.234 -2.860 -8.084 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.198 -4.809 -8.056 1.00 0.00 H new ATOM 990 N ASN A 70 -10.619 -2.595 -2.920 1.00 0.00 N ATOM 991 CA ASN A 70 -11.402 -2.367 -1.712 1.00 0.00 C ATOM 992 C ASN A 70 -10.502 -2.452 -0.487 1.00 0.00 C ATOM 993 O ASN A 70 -9.773 -3.426 -0.310 1.00 0.00 O ATOM 994 CB ASN A 70 -12.534 -3.390 -1.605 1.00 0.00 C ATOM 995 CG ASN A 70 -13.526 -3.281 -2.747 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.773 -2.195 -3.271 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.101 -4.412 -3.140 1.00 0.00 N ATOM 0 H ASN A 70 -9.947 -3.358 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.841 -1.371 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.111 -4.395 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.057 -3.250 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.776 -4.402 -3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.867 -5.291 -2.678 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.558 -1.435 0.362 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.727 -1.404 1.558 1.00 0.00 C ATOM 1006 C VAL A 71 -10.487 -1.923 2.775 1.00 0.00 C ATOM 1007 O VAL A 71 -11.599 -1.479 3.064 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.222 0.022 1.851 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.215 0.007 2.990 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.611 0.645 0.603 1.00 0.00 C ATOM 0 H VAL A 71 -11.167 -0.625 0.246 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.873 -2.054 1.366 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.074 0.631 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.869 1.022 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.687 -0.393 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.366 -0.620 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.261 1.651 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.771 0.037 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.363 0.693 -0.185 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.875 -2.868 3.481 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.478 -3.457 4.670 1.00 0.00 C ATOM 1022 C VAL A 72 -9.492 -3.457 5.830 1.00 0.00 C ATOM 1023 O VAL A 72 -8.321 -3.796 5.663 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.960 -4.899 4.414 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.399 -4.903 3.922 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.048 -5.610 3.425 1.00 0.00 C ATOM 0 H VAL A 72 -8.956 -3.244 3.248 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.343 -2.844 4.924 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.920 -5.443 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.721 -5.930 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.042 -4.444 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.467 -4.338 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.410 -6.625 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.045 -5.069 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.035 -5.646 3.825 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.972 -3.073 7.008 1.00 0.00 N ATOM 1037 CA LYS A 73 -9.128 -3.016 8.195 1.00 0.00 C ATOM 1038 C LYS A 73 -9.065 -4.362 8.904 1.00 0.00 C ATOM 1039 O LYS A 73 -10.055 -4.824 9.473 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.645 -1.941 9.155 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.841 -1.825 10.444 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.457 -2.636 11.576 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.796 -2.062 12.013 1.00 0.00 C ATOM 1044 NZ LYS A 73 -11.403 -2.850 13.120 1.00 0.00 N ATOM 0 H LYS A 73 -10.941 -2.797 7.166 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.118 -2.761 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.636 -0.978 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.683 -2.160 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.821 -2.166 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.780 -0.778 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.591 -3.668 11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.774 -2.654 12.425 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.661 -1.029 12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.478 -2.045 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.314 -2.426 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.556 -3.829 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.764 -2.846 13.940 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.897 -4.994 8.856 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.697 -6.276 9.518 1.00 0.00 C ATOM 1060 C ALA A 74 -7.225 -6.059 10.957 1.00 0.00 C ATOM 1061 O ALA A 74 -6.169 -5.458 11.184 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.691 -7.123 8.750 1.00 0.00 C ATOM 0 H ALA A 74 -7.076 -4.639 8.366 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.648 -6.808 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.554 -8.077 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.061 -7.301 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.737 -6.599 8.700 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.996 -6.552 11.948 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.664 -6.396 13.366 1.00 0.00 C ATOM 1070 C PRO A 75 -6.614 -7.390 13.859 1.00 0.00 C ATOM 1071 O PRO A 75 -5.515 -6.998 14.251 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.001 -6.641 14.054 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.688 -7.616 13.171 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.266 -7.282 11.765 1.00 0.00 C ATOM 0 HA PRO A 75 -7.221 -5.421 13.572 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.865 -7.040 15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.574 -5.719 14.152 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.409 -8.638 13.428 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.770 -7.544 13.280 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.129 -8.181 11.163 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.011 -6.669 11.258 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.958 -8.675 13.840 1.00 0.00 N ATOM 1083 CA GLN A 76 -6.044 -9.720 14.294 1.00 0.00 C ATOM 1084 C GLN A 76 -4.757 -9.715 13.480 1.00 0.00 C ATOM 1085 O GLN A 76 -3.774 -10.357 13.850 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.716 -11.089 14.192 1.00 0.00 C ATOM 1087 CG GLN A 76 -8.038 -11.171 14.936 1.00 0.00 C ATOM 1088 CD GLN A 76 -8.630 -12.568 14.931 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -7.768 -13.578 14.903 1.00 0.00 O flip ATOM 1090 NE2 GLN A 76 -9.850 -12.737 14.956 1.00 0.00 N flip ATOM 0 H GLN A 76 -7.862 -9.018 13.515 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.793 -9.518 15.335 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.884 -11.325 13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.039 -11.848 14.585 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.890 -10.848 15.966 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.748 -10.479 14.483 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.476 -11.932 14.977 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.234 -13.682 14.956 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.769 -8.986 12.370 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.599 -8.914 11.520 1.00 0.00 C ATOM 1101 C GLY A 77 -3.363 -10.206 10.765 1.00 0.00 C ATOM 1102 O GLY A 77 -3.917 -11.246 11.119 1.00 0.00 O ATOM 0 H GLY A 77 -5.569 -8.444 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.717 -8.096 10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.724 -8.684 12.128 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.541 -10.143 9.725 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.240 -11.322 8.925 1.00 0.00 C ATOM 1108 C LYS A 78 -0.740 -11.599 8.910 1.00 0.00 C ATOM 1109 O LYS A 78 0.066 -10.716 9.202 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.760 -11.140 7.497 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.696 -12.406 6.658 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.220 -12.171 5.255 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.697 -11.830 5.263 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.535 -12.986 5.685 1.00 0.00 N ATOM 0 H LYS A 78 -2.073 -9.291 9.417 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.741 -12.178 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.793 -10.793 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.180 -10.359 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.666 -12.759 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.279 -13.192 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.661 -11.360 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.055 -13.062 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.872 -10.991 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.000 -11.507 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.535 -12.782 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.244 -13.836 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.413 -13.149 6.705 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.378 -12.835 8.574 1.00 0.00 N ATOM 1129 CA ASN A 79 1.022 -13.245 8.515 1.00 0.00 C ATOM 1130 C ASN A 79 1.664 -13.222 9.902 1.00 0.00 C ATOM 1131 O ASN A 79 1.665 -14.229 10.610 1.00 0.00 O ATOM 1132 CB ASN A 79 1.807 -12.347 7.553 1.00 0.00 C ATOM 1133 CG ASN A 79 1.190 -12.305 6.169 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.236 -11.281 5.488 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.611 -13.422 5.742 1.00 0.00 N ATOM 0 H ASN A 79 -1.040 -13.574 8.337 1.00 0.00 H new ATOM 0 HA ASN A 79 1.053 -14.269 8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.852 -11.336 7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.833 -12.707 7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.182 -13.453 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.595 -14.249 6.339 1.00 0.00 H new ATOM 1142 N GLN A 80 2.205 -12.068 10.288 1.00 0.00 N ATOM 1143 CA GLN A 80 2.851 -11.919 11.589 1.00 0.00 C ATOM 1144 C GLN A 80 2.690 -10.498 12.119 1.00 0.00 C ATOM 1145 O GLN A 80 3.341 -10.109 13.089 1.00 0.00 O ATOM 1146 CB GLN A 80 4.338 -12.265 11.486 1.00 0.00 C ATOM 1147 CG GLN A 80 4.608 -13.734 11.197 1.00 0.00 C ATOM 1148 CD GLN A 80 6.089 -14.048 11.105 1.00 0.00 C ATOM 1149 OE1 GLN A 80 6.891 -13.201 10.709 1.00 0.00 O ATOM 1150 NE2 GLN A 80 6.459 -15.270 11.470 1.00 0.00 N ATOM 0 H GLN A 80 2.208 -11.223 9.717 1.00 0.00 H new ATOM 0 HA GLN A 80 2.369 -12.606 12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.788 -11.661 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.831 -11.991 12.419 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.159 -14.343 11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.123 -14.012 10.261 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.760 -15.940 11.792 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.442 -15.539 11.429 1.00 0.00 H new ATOM 1159 N LYS A 81 1.816 -9.730 11.478 1.00 0.00 N ATOM 1160 CA LYS A 81 1.573 -8.349 11.877 1.00 0.00 C ATOM 1161 C LYS A 81 0.324 -8.234 12.747 1.00 0.00 C ATOM 1162 O LYS A 81 -0.364 -9.222 13.001 1.00 0.00 O ATOM 1163 CB LYS A 81 1.414 -7.469 10.639 1.00 0.00 C ATOM 1164 CG LYS A 81 2.678 -7.352 9.812 1.00 0.00 C ATOM 1165 CD LYS A 81 3.724 -6.504 10.511 1.00 0.00 C ATOM 1166 CE LYS A 81 5.018 -6.469 9.720 1.00 0.00 C ATOM 1167 NZ LYS A 81 6.002 -5.513 10.299 1.00 0.00 N ATOM 0 H LYS A 81 1.263 -10.041 10.679 1.00 0.00 H new ATOM 0 HA LYS A 81 2.430 -8.014 12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.618 -7.875 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.099 -6.473 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.082 -8.346 9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.441 -6.913 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.346 -5.490 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.914 -6.904 11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.455 -7.467 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.805 -6.189 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.871 -5.521 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.597 -4.555 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.226 -5.794 11.275 1.00 0.00 H new ATOM 1181 N SER A 82 0.042 -7.015 13.197 1.00 0.00 N ATOM 1182 CA SER A 82 -1.129 -6.750 14.025 1.00 0.00 C ATOM 1183 C SER A 82 -2.085 -5.816 13.290 1.00 0.00 C ATOM 1184 O SER A 82 -3.242 -6.159 13.049 1.00 0.00 O ATOM 1185 CB SER A 82 -0.710 -6.132 15.361 1.00 0.00 C ATOM 1186 OG SER A 82 -0.004 -4.919 15.166 1.00 0.00 O ATOM 0 H SER A 82 0.612 -6.192 13.001 1.00 0.00 H new ATOM 0 HA SER A 82 -1.638 -7.693 14.225 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.593 -5.947 15.972 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.084 -6.836 15.910 1.00 0.00 H new ATOM 0 HG SER A 82 0.250 -4.545 16.035 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.589 -4.635 12.939 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.385 -3.653 12.212 1.00 0.00 C ATOM 1194 C PHE A 83 -2.181 -3.837 10.712 1.00 0.00 C ATOM 1195 O PHE A 83 -1.160 -3.418 10.165 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.985 -2.232 12.615 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.742 -2.057 14.087 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.738 -2.332 15.010 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.512 -1.613 14.546 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.512 -2.167 16.363 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.280 -1.446 15.897 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.280 -1.723 16.807 1.00 0.00 C ATOM 0 H PHE A 83 -0.637 -4.334 13.147 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.436 -3.803 12.460 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.081 -1.953 12.073 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.770 -1.543 12.303 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.702 -2.679 14.668 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.274 -1.395 13.839 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.296 -2.384 17.073 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.683 -1.099 16.241 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.101 -1.593 17.864 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.145 -4.466 10.048 1.00 0.00 N ATOM 1213 CA VAL A 84 -3.030 -4.712 8.613 1.00 0.00 C ATOM 1214 C VAL A 84 -4.293 -4.313 7.863 1.00 0.00 C ATOM 1215 O VAL A 84 -5.396 -4.396 8.395 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.740 -6.203 8.332 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.714 -6.484 6.836 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.431 -6.626 8.978 1.00 0.00 C ATOM 0 H VAL A 84 -4.005 -4.812 10.473 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.202 -4.098 8.259 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.547 -6.790 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.508 -7.541 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.680 -6.229 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.935 -5.883 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.245 -7.679 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.615 -6.026 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.492 -6.476 10.056 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.111 -3.865 6.626 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.223 -3.482 5.764 1.00 0.00 C ATOM 1230 C PHE A 85 -5.099 -4.225 4.440 1.00 0.00 C ATOM 1231 O PHE A 85 -4.074 -4.135 3.764 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.240 -1.973 5.518 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.891 -1.184 6.616 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.379 -1.198 7.902 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -7.014 -0.418 6.354 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.975 -0.461 8.907 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.615 0.320 7.353 1.00 0.00 C ATOM 1238 CZ PHE A 85 -7.095 0.299 8.632 1.00 0.00 C ATOM 0 H PHE A 85 -3.193 -3.757 6.194 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.158 -3.748 6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.215 -1.624 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.762 -1.773 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.504 -1.792 8.122 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.425 -0.398 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.566 -0.479 9.906 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.491 0.913 7.135 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.563 0.876 9.416 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.140 -4.958 4.073 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.116 -5.736 2.843 1.00 0.00 C ATOM 1250 C ILE A 86 -6.838 -5.033 1.700 1.00 0.00 C ATOM 1251 O ILE A 86 -7.862 -4.380 1.899 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.759 -7.120 3.053 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.060 -7.867 4.190 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.707 -7.934 1.768 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.833 -9.071 4.681 1.00 0.00 C ATOM 0 H ILE A 86 -7.007 -5.030 4.606 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.065 -5.849 2.575 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.804 -6.976 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.075 -8.190 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.902 -7.181 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.166 -8.908 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.249 -7.408 0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.669 -8.069 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.281 -9.554 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.808 -8.752 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.968 -9.776 3.861 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.281 -5.171 0.504 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.865 -4.592 -0.694 1.00 0.00 C ATOM 1269 C LEU A 87 -7.525 -5.691 -1.513 1.00 0.00 C ATOM 1270 O LEU A 87 -6.917 -6.728 -1.776 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.796 -3.877 -1.522 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.295 -2.557 -0.931 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.113 -2.032 -1.726 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.415 -1.530 -0.902 1.00 0.00 C ATOM 0 H LEU A 87 -5.416 -5.685 0.339 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.616 -3.856 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.946 -4.548 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.198 -3.683 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.967 -2.740 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.770 -1.093 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.303 -2.761 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.415 -1.864 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.042 -0.597 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.771 -1.352 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.236 -1.904 -0.290 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.767 -5.465 -1.915 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.506 -6.458 -2.681 1.00 0.00 C ATOM 1288 C GLU A 88 -9.835 -5.933 -4.076 1.00 0.00 C ATOM 1289 O GLU A 88 -10.649 -5.024 -4.225 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.788 -6.844 -1.940 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.540 -7.421 -0.553 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.824 -7.799 0.158 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.400 -6.931 0.846 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.254 -8.965 0.027 1.00 0.00 O ATOM 0 H GLU A 88 -9.283 -4.606 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.881 -7.344 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.425 -5.964 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.336 -7.574 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.903 -8.302 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.997 -6.692 0.048 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.211 -6.508 -5.120 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.433 -6.081 -6.506 1.00 0.00 C ATOM 1303 C PRO A 89 -10.886 -6.232 -6.928 1.00 0.00 C ATOM 1304 O PRO A 89 -11.497 -7.281 -6.726 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.540 -7.018 -7.324 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.311 -8.190 -6.433 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.259 -7.629 -5.045 1.00 0.00 C ATOM 0 HA PRO A 89 -9.200 -5.025 -6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.024 -7.316 -8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.601 -6.535 -7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.113 -8.921 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.382 -8.700 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.556 -8.365 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.256 -7.293 -4.780 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.434 -5.177 -7.518 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.814 -5.192 -7.971 1.00 0.00 C ATOM 1317 C LYS A 90 -12.910 -5.747 -9.386 1.00 0.00 C ATOM 1318 O LYS A 90 -13.957 -5.660 -10.028 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.405 -3.781 -7.921 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.385 -3.162 -6.532 1.00 0.00 C ATOM 1321 CD LYS A 90 -13.959 -1.754 -6.535 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.443 -1.752 -6.870 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.010 -0.376 -6.871 1.00 0.00 N ATOM 0 H LYS A 90 -10.941 -4.301 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.385 -5.839 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.849 -3.139 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.434 -3.814 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.958 -3.787 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.361 -3.137 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.806 -1.297 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.421 -1.143 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.595 -2.208 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.979 -2.365 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.023 -0.418 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.888 0.050 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.516 0.203 -7.580 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.811 -6.323 -9.868 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.779 -6.893 -11.210 1.00 0.00 C ATOM 1339 C GLN A 91 -12.750 -8.062 -11.323 1.00 0.00 C ATOM 1340 O GLN A 91 -13.752 -7.984 -12.035 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.364 -7.352 -11.557 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.341 -6.227 -11.562 1.00 0.00 C ATOM 1343 CD GLN A 91 -9.644 -5.168 -12.604 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -10.348 -4.196 -12.331 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -9.110 -5.351 -13.805 1.00 0.00 N ATOM 0 H GLN A 91 -10.936 -6.407 -9.351 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.084 -6.121 -11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.052 -8.112 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.375 -7.825 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.312 -5.763 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.351 -6.642 -11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.532 -6.172 -13.987 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.277 -4.671 -14.546 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.446 -9.145 -10.615 1.00 0.00 N ATOM 1355 CA GLN A 92 -13.290 -10.334 -10.630 1.00 0.00 C ATOM 1356 C GLN A 92 -12.805 -11.352 -9.601 1.00 0.00 C ATOM 1357 O GLN A 92 -13.482 -11.616 -8.607 1.00 0.00 O ATOM 1358 CB GLN A 92 -13.295 -10.966 -12.024 1.00 0.00 C ATOM 1359 CG GLN A 92 -14.690 -11.206 -12.577 1.00 0.00 C ATOM 1360 CD GLN A 92 -14.674 -11.865 -13.943 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -13.661 -12.687 -14.194 1.00 0.00 O flip ATOM 1362 NE2 GLN A 92 -15.565 -11.641 -14.762 1.00 0.00 N flip ATOM 0 H GLN A 92 -11.619 -9.223 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.306 -10.033 -10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.748 -10.319 -12.709 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.760 -11.915 -11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -15.249 -11.833 -11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.218 -10.255 -12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.325 -11.002 -14.527 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.544 -12.094 -15.676 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.629 -11.917 -9.850 1.00 0.00 N ATOM 1372 CA GLY A 93 -11.064 -12.896 -8.941 1.00 0.00 C ATOM 1373 C GLY A 93 -9.568 -12.722 -8.772 1.00 0.00 C ATOM 1374 O GLY A 93 -8.861 -13.665 -8.417 1.00 0.00 O ATOM 0 H GLY A 93 -11.055 -11.713 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.550 -12.811 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.272 -13.899 -9.314 1.00 0.00 H new ATOM 1378 N ASP A 94 -9.088 -11.510 -9.029 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.670 -11.202 -8.912 1.00 0.00 C ATOM 1380 C ASP A 94 -7.195 -11.368 -7.468 1.00 0.00 C ATOM 1381 O ASP A 94 -8.007 -11.424 -6.544 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.404 -9.775 -9.401 1.00 0.00 C ATOM 1383 CG ASP A 94 -7.943 -9.527 -10.797 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.052 -10.012 -11.103 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.254 -8.844 -11.584 1.00 0.00 O ATOM 0 H ASP A 94 -9.665 -10.722 -9.321 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.111 -11.901 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.859 -9.067 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.331 -9.586 -9.391 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.869 -11.446 -7.257 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.283 -11.618 -5.922 1.00 0.00 C ATOM 1392 C PRO A 95 -5.291 -10.334 -5.092 1.00 0.00 C ATOM 1393 O PRO A 95 -5.191 -9.234 -5.636 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.846 -12.028 -6.237 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.553 -11.350 -7.528 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.833 -11.378 -8.306 1.00 0.00 C ATOM 0 HA PRO A 95 -5.843 -12.337 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.159 -11.708 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.750 -13.110 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.218 -10.326 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.757 -11.864 -8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.946 -10.488 -8.926 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.879 -12.239 -8.973 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.413 -10.462 -3.755 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.422 -9.319 -2.845 1.00 0.00 C ATOM 1406 C PRO A 96 -4.013 -8.910 -2.419 1.00 0.00 C ATOM 1407 O PRO A 96 -3.049 -9.638 -2.657 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.205 -9.854 -1.653 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.867 -11.307 -1.604 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.564 -11.735 -3.022 1.00 0.00 C ATOM 0 HA PRO A 96 -5.850 -8.425 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.918 -9.349 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.276 -9.700 -1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.008 -11.482 -0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.697 -11.883 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.655 -12.335 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.369 -12.341 -3.437 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.898 -7.744 -1.790 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.603 -7.246 -1.334 1.00 0.00 C ATOM 1420 C VAL A 97 -2.682 -6.747 0.108 1.00 0.00 C ATOM 1421 O VAL A 97 -3.528 -5.917 0.441 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.089 -6.106 -2.233 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.668 -5.722 -1.851 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.165 -6.503 -3.700 1.00 0.00 C ATOM 0 H VAL A 97 -4.684 -7.127 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.906 -8.082 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.729 -5.236 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.323 -4.915 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.647 -5.389 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.014 -6.586 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.797 -5.684 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.553 -7.389 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.200 -6.721 -3.965 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.793 -7.256 0.957 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.766 -6.870 2.366 1.00 0.00 C ATOM 1436 C GLU A 98 -0.763 -5.744 2.617 1.00 0.00 C ATOM 1437 O GLU A 98 0.295 -5.689 1.991 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.405 -8.073 3.238 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.492 -9.133 3.308 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.827 -9.723 1.952 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.130 -10.669 1.528 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.787 -9.241 1.315 1.00 0.00 O ATOM 0 H GLU A 98 -1.081 -7.937 0.694 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.762 -6.512 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.492 -8.528 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.186 -7.725 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.172 -9.931 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.392 -8.696 3.741 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.108 -4.852 3.542 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.243 -3.731 3.901 1.00 0.00 C ATOM 1451 C PHE A 99 -0.120 -3.617 5.420 1.00 0.00 C ATOM 1452 O PHE A 99 -1.064 -3.925 6.148 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.801 -2.422 3.340 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.551 -2.205 1.875 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.228 -2.948 0.922 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.351 -1.241 1.453 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.007 -2.736 -0.424 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.576 -1.026 0.107 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.104 -1.773 -0.834 1.00 0.00 C ATOM 0 H PHE A 99 -1.986 -4.884 4.060 1.00 0.00 H new ATOM 0 HA PHE A 99 0.742 -3.914 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.876 -2.396 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.366 -1.591 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.936 -3.701 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.884 -0.651 2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.540 -3.323 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.284 -0.274 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.069 -1.606 -1.887 1.00 0.00 H new ATOM 1469 N ALA A 100 1.041 -3.174 5.897 1.00 0.00 N ATOM 1470 CA ALA A 100 1.263 -3.026 7.334 1.00 0.00 C ATOM 1471 C ALA A 100 2.204 -1.864 7.646 1.00 0.00 C ATOM 1472 O ALA A 100 3.045 -1.493 6.827 1.00 0.00 O ATOM 1473 CB ALA A 100 1.814 -4.319 7.917 1.00 0.00 C ATOM 0 H ALA A 100 1.837 -2.913 5.315 1.00 0.00 H new ATOM 0 HA ALA A 100 0.300 -2.804 7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.975 -4.196 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.102 -5.127 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.760 -4.562 7.433 1.00 0.00 H new ATOM 1479 N THR A 101 2.050 -1.296 8.841 1.00 0.00 N ATOM 1480 CA THR A 101 2.883 -0.180 9.283 1.00 0.00 C ATOM 1481 C THR A 101 3.592 -0.516 10.591 1.00 0.00 C ATOM 1482 O THR A 101 3.550 -1.656 11.055 1.00 0.00 O ATOM 1483 CB THR A 101 2.052 1.101 9.482 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.969 0.848 10.384 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.508 1.609 8.155 1.00 0.00 C ATOM 0 H THR A 101 1.352 -1.593 9.523 1.00 0.00 H new ATOM 0 HA THR A 101 3.621 -0.006 8.500 1.00 0.00 H new ATOM 0 HB THR A 101 2.703 1.867 9.904 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.080 1.395 11.190 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.925 2.514 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.337 1.831 7.483 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.872 0.846 7.707 1.00 0.00 H new ATOM 1493 N ASP A 102 4.243 0.483 11.181 1.00 0.00 N ATOM 1494 CA ASP A 102 4.957 0.294 12.440 1.00 0.00 C ATOM 1495 C ASP A 102 4.386 1.194 13.530 1.00 0.00 C ATOM 1496 O ASP A 102 4.827 1.151 14.679 1.00 0.00 O ATOM 1497 CB ASP A 102 6.448 0.584 12.253 1.00 0.00 C ATOM 1498 CG ASP A 102 7.088 -0.322 11.220 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.548 -1.421 11.598 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.131 0.067 10.035 1.00 0.00 O ATOM 0 H ASP A 102 4.291 1.431 10.808 1.00 0.00 H new ATOM 0 HA ASP A 102 4.831 -0.744 12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.578 1.623 11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.961 0.462 13.207 1.00 0.00 H new ATOM 1505 N ARG A 103 3.401 2.006 13.161 1.00 0.00 N ATOM 1506 CA ARG A 103 2.763 2.922 14.102 1.00 0.00 C ATOM 1507 C ARG A 103 1.276 3.054 13.795 1.00 0.00 C ATOM 1508 O ARG A 103 0.821 2.674 12.716 1.00 0.00 O ATOM 1509 CB ARG A 103 3.430 4.299 14.044 1.00 0.00 C ATOM 1510 CG ARG A 103 4.911 4.274 14.386 1.00 0.00 C ATOM 1511 CD ARG A 103 5.499 5.676 14.422 1.00 0.00 C ATOM 1512 NE ARG A 103 4.889 6.501 15.461 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.413 7.641 15.900 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.555 8.089 15.393 1.00 0.00 N ATOM 1515 NH2 ARG A 103 4.798 8.334 16.849 1.00 0.00 N ATOM 0 H ARG A 103 3.025 2.049 12.214 1.00 0.00 H new ATOM 0 HA ARG A 103 2.880 2.515 15.106 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.304 4.712 13.043 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.918 4.971 14.733 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.054 3.794 15.354 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.445 3.673 13.650 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.574 5.614 14.594 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.358 6.153 13.452 1.00 0.00 H new ATOM 0 HE ARG A 103 4.011 6.185 15.873 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.033 7.558 14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.955 8.964 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.921 7.992 17.243 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.202 9.209 17.185 1.00 0.00 H new ATOM 1529 N VAL A 104 0.522 3.595 14.746 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.914 3.773 14.568 1.00 0.00 C ATOM 1531 C VAL A 104 -1.212 4.989 13.694 1.00 0.00 C ATOM 1532 O VAL A 104 -2.201 5.011 12.961 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.638 3.925 15.921 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.211 5.206 16.622 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -3.146 3.887 15.726 1.00 0.00 C ATOM 0 H VAL A 104 0.880 3.917 15.645 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.286 2.876 14.072 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.356 3.086 16.557 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.735 5.292 17.574 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.136 5.182 16.800 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.456 6.063 15.995 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.641 3.996 16.691 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.449 4.703 15.069 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.431 2.935 15.277 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.350 6.000 13.775 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.520 7.216 12.988 1.00 0.00 C ATOM 1547 C GLU A 105 -0.234 6.947 11.515 1.00 0.00 C ATOM 1548 O GLU A 105 -1.062 7.240 10.652 1.00 0.00 O ATOM 1549 CB GLU A 105 0.399 8.321 13.509 1.00 0.00 C ATOM 1550 CG GLU A 105 0.137 8.696 14.958 1.00 0.00 C ATOM 1551 CD GLU A 105 1.054 9.796 15.453 1.00 0.00 C ATOM 1552 OE1 GLU A 105 2.148 9.475 15.960 1.00 0.00 O ATOM 1553 OE2 GLU A 105 0.676 10.981 15.333 1.00 0.00 O ATOM 0 H GLU A 105 0.473 6.000 14.378 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.555 7.544 13.086 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.435 7.998 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.278 9.207 12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.899 9.017 15.064 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.263 7.814 15.586 1.00 0.00 H new ATOM 1560 N GLU A 106 0.942 6.395 11.232 1.00 0.00 N ATOM 1561 CA GLU A 106 1.326 6.079 9.859 1.00 0.00 C ATOM 1562 C GLU A 106 0.322 5.111 9.251 1.00 0.00 C ATOM 1563 O GLU A 106 0.147 5.056 8.033 1.00 0.00 O ATOM 1564 CB GLU A 106 2.721 5.452 9.821 1.00 0.00 C ATOM 1565 CG GLU A 106 3.736 6.152 10.706 1.00 0.00 C ATOM 1566 CD GLU A 106 4.013 7.576 10.265 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.288 8.489 10.716 1.00 0.00 O ATOM 1568 OE2 GLU A 106 4.952 7.780 9.467 1.00 0.00 O ATOM 0 H GLU A 106 1.644 6.158 11.933 1.00 0.00 H new ATOM 0 HA GLU A 106 1.338 7.005 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.647 4.408 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.084 5.460 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.373 6.158 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.668 5.587 10.701 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.335 4.350 10.118 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.322 3.369 9.694 1.00 0.00 C ATOM 1577 C LEU A 107 -2.545 4.042 9.088 1.00 0.00 C ATOM 1578 O LEU A 107 -2.896 3.793 7.937 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.747 2.518 10.893 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.746 1.404 10.583 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.011 0.117 10.254 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.690 1.192 11.757 1.00 0.00 C ATOM 0 H LEU A 107 -0.199 4.396 11.128 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.868 2.737 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.856 2.072 11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.182 3.174 11.647 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.338 1.699 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.734 -0.669 10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.372 0.275 9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.399 -0.180 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.394 0.395 11.518 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.115 0.915 12.641 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.238 2.113 11.954 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.181 4.913 9.860 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.378 5.602 9.399 1.00 0.00 C ATOM 1596 C PHE A 108 -4.053 6.625 8.319 1.00 0.00 C ATOM 1597 O PHE A 108 -4.848 6.846 7.418 1.00 0.00 O ATOM 1598 CB PHE A 108 -5.080 6.292 10.569 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.578 6.276 10.463 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.297 5.141 10.804 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.268 7.394 10.024 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.675 5.121 10.708 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.646 7.382 9.925 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.351 6.243 10.267 1.00 0.00 C ATOM 0 H PHE A 108 -2.889 5.159 10.806 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.043 4.853 8.969 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.784 5.805 11.498 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.739 7.326 10.628 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.774 4.262 11.149 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.722 8.286 9.756 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -9.223 4.230 10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.171 8.261 9.581 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.428 6.230 10.190 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.886 7.246 8.409 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.485 8.252 7.431 1.00 0.00 C ATOM 1616 C GLU A 109 -2.381 7.656 6.027 1.00 0.00 C ATOM 1617 O GLU A 109 -3.057 8.102 5.096 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.145 8.871 7.834 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.651 9.943 6.875 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.591 11.128 6.791 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.428 12.075 7.590 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.491 11.112 5.924 1.00 0.00 O ATOM 0 H GLU A 109 -2.201 7.074 9.145 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.252 9.026 7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.240 9.304 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.396 8.082 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.333 10.286 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.530 9.509 5.882 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.542 6.636 5.888 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.326 5.981 4.601 1.00 0.00 C ATOM 1631 C TRP A 110 -2.567 5.237 4.116 1.00 0.00 C ATOM 1632 O TRP A 110 -2.880 5.250 2.925 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.152 5.007 4.705 1.00 0.00 C ATOM 1634 CG TRP A 110 1.147 5.590 4.245 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.155 6.072 5.030 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.580 5.756 2.890 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.188 6.525 4.245 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.858 6.342 2.929 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.010 5.463 1.647 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.575 6.640 1.775 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.725 5.762 0.502 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.996 6.344 0.573 1.00 0.00 C ATOM 0 H TRP A 110 -0.997 6.242 6.655 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.103 6.761 3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.050 4.682 5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.373 4.119 4.113 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.142 6.094 6.110 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.059 6.931 4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.031 5.012 1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.555 7.090 1.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.295 5.543 -0.464 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.530 6.563 -0.340 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.270 4.592 5.038 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.458 3.822 4.693 1.00 0.00 C ATOM 1655 C PHE A 111 -5.664 4.708 4.393 1.00 0.00 C ATOM 1656 O PHE A 111 -6.522 4.341 3.591 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.764 2.822 5.806 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.820 1.651 5.783 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.472 1.060 4.579 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -3.264 1.156 6.950 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.595 0.000 4.539 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -2.381 0.093 6.915 1.00 0.00 C ATOM 1663 CZ PHE A 111 -2.046 -0.484 5.709 1.00 0.00 C ATOM 0 H PHE A 111 -3.038 4.587 6.031 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.248 3.278 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.698 3.323 6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.788 2.465 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.895 1.436 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.523 1.605 7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.337 -0.453 3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.954 -0.285 7.832 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.355 -1.314 5.680 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.732 5.870 5.030 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.838 6.792 4.795 1.00 0.00 C ATOM 1675 C GLN A 112 -6.748 7.347 3.380 1.00 0.00 C ATOM 1676 O GLN A 112 -7.764 7.546 2.717 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.824 7.929 5.822 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.123 8.710 5.899 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.272 9.725 4.782 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.152 10.279 4.331 1.00 0.00 O flip ATOM 1681 NE2 GLN A 112 -9.382 10.011 4.333 1.00 0.00 N flip ATOM 0 H GLN A 112 -5.042 6.195 5.707 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.778 6.252 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.603 7.513 6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.014 8.616 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.961 8.014 5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.175 9.224 6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.216 9.560 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.468 10.698 3.584 1.00 0.00 H new ATOM 1690 N SER A 113 -5.520 7.592 2.922 1.00 0.00 N ATOM 1691 CA SER A 113 -5.296 8.101 1.572 1.00 0.00 C ATOM 1692 C SER A 113 -5.671 7.041 0.542 1.00 0.00 C ATOM 1693 O SER A 113 -6.328 7.340 -0.455 1.00 0.00 O ATOM 1694 CB SER A 113 -3.836 8.519 1.393 1.00 0.00 C ATOM 1695 OG SER A 113 -3.603 9.015 0.086 1.00 0.00 O ATOM 0 H SER A 113 -4.669 7.446 3.465 1.00 0.00 H new ATOM 0 HA SER A 113 -5.927 8.977 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.581 9.284 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.185 7.666 1.583 1.00 0.00 H new ATOM 0 HG SER A 113 -2.713 9.423 0.045 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.242 5.801 0.778 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.571 4.707 -0.127 1.00 0.00 C ATOM 1703 C ILE A 114 -7.085 4.587 -0.242 1.00 0.00 C ATOM 1704 O ILE A 114 -7.621 4.277 -1.306 1.00 0.00 O ATOM 1705 CB ILE A 114 -4.982 3.358 0.351 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.450 3.384 0.282 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.536 2.210 -0.485 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.792 2.087 0.722 1.00 0.00 C ATOM 0 H ILE A 114 -4.672 5.534 1.580 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.130 4.934 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.275 3.202 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.146 3.606 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.082 4.197 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.112 1.268 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.621 2.178 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.272 2.361 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.709 2.184 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.065 1.873 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.130 1.272 0.082 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.763 4.846 0.872 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.218 4.795 0.924 1.00 0.00 C ATOM 1722 C ARG A 115 -9.818 6.035 0.270 1.00 0.00 C ATOM 1723 O ARG A 115 -10.924 5.997 -0.267 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.690 4.697 2.378 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.478 3.327 3.001 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.089 3.252 4.392 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.961 1.922 4.977 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.798 1.432 5.888 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.818 2.164 6.316 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.615 0.211 6.370 1.00 0.00 N ATOM 0 H ARG A 115 -7.322 5.095 1.757 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.552 3.912 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.161 5.442 2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.750 4.946 2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.923 2.563 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.411 3.112 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.603 3.981 5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.143 3.525 4.340 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.186 1.334 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.962 3.104 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.459 1.787 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.832 -0.354 6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.257 -0.163 7.068 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.073 7.134 0.319 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.519 8.396 -0.260 1.00 0.00 C ATOM 1746 C GLU A 116 -9.762 8.265 -1.760 1.00 0.00 C ATOM 1747 O GLU A 116 -10.505 9.052 -2.348 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.482 9.492 0.004 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.646 10.186 1.345 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.740 11.394 1.487 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.529 11.203 1.730 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -8.241 12.530 1.355 1.00 0.00 O ATOM 0 H GLU A 116 -8.152 7.176 0.756 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.462 8.666 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.485 9.055 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.545 10.237 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.684 10.498 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.431 9.478 2.146 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.134 7.269 -2.375 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.277 7.047 -3.810 1.00 0.00 C ATOM 1761 C ILE A 117 -10.112 5.804 -4.109 1.00 0.00 C ATOM 1762 O ILE A 117 -10.825 5.753 -5.112 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.899 6.915 -4.487 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.062 8.168 -4.221 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.059 6.685 -5.984 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.596 8.004 -4.556 1.00 0.00 C ATOM 0 H ILE A 117 -8.522 6.603 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.795 7.916 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.382 6.054 -4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.468 8.995 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.157 8.441 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.076 6.594 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.625 5.769 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.591 7.527 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.068 8.933 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.173 7.199 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.489 7.762 -5.613 1.00 0.00 H new ATOM 1778 N THR A 118 -10.024 4.804 -3.237 1.00 0.00 N ATOM 1779 CA THR A 118 -10.774 3.565 -3.421 1.00 0.00 C ATOM 1780 C THR A 118 -12.075 3.584 -2.629 1.00 0.00 C ATOM 1781 O THR A 118 -13.164 3.485 -3.197 1.00 0.00 O ATOM 1782 CB THR A 118 -9.947 2.338 -2.993 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.576 2.454 -1.614 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.697 2.199 -3.848 1.00 0.00 C ATOM 0 H THR A 118 -9.443 4.827 -2.399 1.00 0.00 H new ATOM 0 HA THR A 118 -11.000 3.491 -4.485 1.00 0.00 H new ATOM 0 HB THR A 118 -10.562 1.449 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.691 2.870 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.131 1.325 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.982 2.081 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.081 3.091 -3.739 1.00 0.00 H new ATOM 1792 N TRP A 119 -11.951 3.712 -1.314 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.108 3.744 -0.427 1.00 0.00 C ATOM 1794 C TRP A 119 -14.014 4.930 -0.749 1.00 0.00 C ATOM 1795 O TRP A 119 -15.208 4.911 -0.449 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.639 3.816 1.027 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.751 3.911 2.024 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.982 4.936 2.892 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.781 2.943 2.259 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.088 4.668 3.656 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.600 3.450 3.287 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.091 1.699 1.703 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.707 2.757 3.767 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.191 1.011 2.181 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.988 1.542 3.204 1.00 0.00 C ATOM 0 H TRP A 119 -11.054 3.796 -0.835 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.685 2.831 -0.577 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.041 2.932 1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.985 4.680 1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.381 5.830 2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.469 5.276 4.381 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.482 1.282 0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.322 3.164 4.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.440 0.049 1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.841 0.981 3.555 1.00 0.00 H new ATOM 1816 N LYS A 120 -13.440 5.958 -1.365 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.195 7.153 -1.726 1.00 0.00 C ATOM 1818 C LYS A 120 -14.098 7.427 -3.223 1.00 0.00 C ATOM 1819 O LYS A 120 -13.226 6.891 -3.907 1.00 0.00 O ATOM 1820 CB LYS A 120 -13.683 8.362 -0.939 1.00 0.00 C ATOM 1821 CG LYS A 120 -13.789 8.198 0.568 1.00 0.00 C ATOM 1822 CD LYS A 120 -13.259 9.418 1.305 1.00 0.00 C ATOM 1823 CE LYS A 120 -14.123 10.644 1.053 1.00 0.00 C ATOM 1824 NZ LYS A 120 -15.526 10.439 1.504 1.00 0.00 N ATOM 0 H LYS A 120 -12.454 5.988 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.242 6.981 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -12.641 8.542 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -14.246 9.246 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -14.830 8.030 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -13.231 7.315 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -13.224 9.211 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -12.237 9.621 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -13.696 11.501 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -14.115 10.881 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.002 11.360 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -16.030 9.849 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -15.527 9.965 2.430 1.00 0.00 H new ATOM 1838 N ILE A 121 -15.000 8.265 -3.724 1.00 0.00 N ATOM 1839 CA ILE A 121 -15.017 8.613 -5.140 1.00 0.00 C ATOM 1840 C ILE A 121 -14.941 10.124 -5.332 1.00 0.00 C ATOM 1841 O ILE A 121 -15.930 10.834 -5.150 1.00 0.00 O ATOM 1842 CB ILE A 121 -16.288 8.079 -5.834 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -16.411 6.565 -5.638 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -16.273 8.431 -7.316 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -15.260 5.774 -6.227 1.00 0.00 C ATOM 0 H ILE A 121 -15.729 8.716 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 121 -14.142 8.147 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.157 8.554 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -16.478 6.351 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -17.342 6.224 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -17.176 8.047 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -16.234 9.514 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -15.398 7.984 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -15.420 4.711 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -15.205 5.957 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -14.327 6.085 -5.757 1.00 0.00 H new ATOM 1857 N ASP A 122 -13.758 10.608 -5.696 1.00 0.00 N ATOM 1858 CA ASP A 122 -13.549 12.035 -5.912 1.00 0.00 C ATOM 1859 C ASP A 122 -14.019 12.450 -7.303 1.00 0.00 C ATOM 1860 O ASP A 122 -13.450 12.033 -8.312 1.00 0.00 O ATOM 1861 CB ASP A 122 -12.072 12.389 -5.735 1.00 0.00 C ATOM 1862 CG ASP A 122 -11.803 13.867 -5.933 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -11.533 14.272 -7.084 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -11.861 14.621 -4.940 1.00 0.00 O ATOM 0 H ASP A 122 -12.929 10.033 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.137 12.578 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -11.748 12.094 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -11.476 11.816 -6.446 1.00 0.00 H new ATOM 1869 N THR A 123 -15.063 13.273 -7.346 1.00 0.00 N ATOM 1870 CA THR A 123 -15.611 13.746 -8.612 1.00 0.00 C ATOM 1871 C THR A 123 -15.202 15.191 -8.881 1.00 0.00 C ATOM 1872 O THR A 123 -14.543 15.485 -9.879 1.00 0.00 O ATOM 1873 CB THR A 123 -17.149 13.647 -8.630 1.00 0.00 C ATOM 1874 OG1 THR A 123 -17.555 12.300 -8.363 1.00 0.00 O ATOM 1875 CG2 THR A 123 -17.706 14.091 -9.975 1.00 0.00 C ATOM 0 H THR A 123 -15.546 13.625 -6.519 1.00 0.00 H new ATOM 0 HA THR A 123 -15.204 13.104 -9.393 1.00 0.00 H new ATOM 0 HB THR A 123 -17.542 14.307 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 123 -18.533 12.245 -8.374 1.00 0.00 H new ATOM 0 HG21 THR A 123 -18.793 14.012 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 123 -17.419 15.126 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 123 -17.305 13.454 -10.763 1.00 0.00 H new ATOM 1883 N LYS A 124 -15.596 16.088 -7.982 1.00 0.00 N ATOM 1884 CA LYS A 124 -15.271 17.503 -8.120 1.00 0.00 C ATOM 1885 C LYS A 124 -14.025 17.860 -7.312 1.00 0.00 C ATOM 1886 O LYS A 124 -12.917 17.809 -7.885 1.00 0.00 O ATOM 1887 CB LYS A 124 -16.457 18.367 -7.680 1.00 0.00 C ATOM 1888 CG LYS A 124 -17.075 17.933 -6.359 1.00 0.00 C ATOM 1889 CD LYS A 124 -18.249 18.820 -5.970 1.00 0.00 C ATOM 1890 CE LYS A 124 -19.410 18.673 -6.940 1.00 0.00 C ATOM 1891 NZ LYS A 124 -19.914 17.273 -6.995 1.00 0.00 N ATOM 1892 OXT LYS A 124 -14.167 18.188 -6.115 1.00 0.00 O ATOM 0 H LYS A 124 -16.141 15.860 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.062 17.702 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -16.128 19.403 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -17.223 18.339 -8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -17.410 16.899 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -16.319 17.966 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.581 18.564 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -17.926 19.861 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -20.220 19.339 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -19.093 18.984 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -20.853 17.259 -7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.257 16.689 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -19.985 16.891 -6.030 1.00 0.00 H new TER 1906 LYS A 124