USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 819 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 53 ASN : amide:sc= -0.326 K(o=-0.31,f=-2.2!) USER MOD Set 1.2: A 95 THR OG1 : rot -160:sc= 0.0188 USER MOD Set 2.1: A 17 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot 145:sc= 0.309 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.253 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.956 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.058 USER MOD Single : A 28 ASN :FLIP amide:sc= -3.23! C(o=-7.2!,f=-3.2!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0484 F(o=-0.73,f=-0.048) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.56! C(o=-2.6!,f=-7.9!) USER MOD Single : A 50 THR OG1 : rot 63:sc= 1.28 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 12:sc= 0.0235 USER MOD Single : A 59 MET CE :methyl 138:sc= -0.747 (180deg=-1.54!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.38) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 155:sc= -1.13 (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.443 -0.316 -9.486 1.00 0.00 N ATOM 2 CA GLY A 1 -14.795 -0.633 -9.905 1.00 0.00 C ATOM 3 C GLY A 1 -15.348 -1.857 -9.202 1.00 0.00 C ATOM 4 O GLY A 1 -15.223 -1.991 -7.985 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.111 0.528 -9.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.431 -0.130 -8.463 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.816 -1.118 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.443 0.220 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.809 -0.799 -10.982 1.00 0.00 H new ATOM 8 N SER A 2 -15.963 -2.751 -9.970 1.00 0.00 N ATOM 9 CA SER A 2 -16.542 -3.967 -9.413 1.00 0.00 C ATOM 10 C SER A 2 -15.529 -5.107 -9.426 1.00 0.00 C ATOM 11 O SER A 2 -15.090 -5.551 -10.487 1.00 0.00 O ATOM 12 CB SER A 2 -17.790 -4.371 -10.201 1.00 0.00 C ATOM 13 OG SER A 2 -18.765 -3.343 -10.172 1.00 0.00 O ATOM 0 H SER A 2 -16.073 -2.656 -10.980 1.00 0.00 H new ATOM 0 HA SER A 2 -16.823 -3.765 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.517 -4.589 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.209 -5.286 -9.782 1.00 0.00 H new ATOM 0 HG SER A 2 -19.552 -3.624 -10.684 1.00 0.00 H new ATOM 19 N SER A 3 -15.161 -5.577 -8.238 1.00 0.00 N ATOM 20 CA SER A 3 -14.196 -6.663 -8.111 1.00 0.00 C ATOM 21 C SER A 3 -14.887 -7.958 -7.695 1.00 0.00 C ATOM 22 O SER A 3 -14.786 -8.976 -8.378 1.00 0.00 O ATOM 23 CB SER A 3 -13.117 -6.298 -7.090 1.00 0.00 C ATOM 24 OG SER A 3 -12.230 -7.382 -6.875 1.00 0.00 O ATOM 0 H SER A 3 -15.517 -5.223 -7.350 1.00 0.00 H new ATOM 0 HA SER A 3 -13.729 -6.816 -9.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.558 -5.431 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.585 -6.015 -6.147 1.00 0.00 H new ATOM 0 HG SER A 3 -11.549 -7.123 -6.220 1.00 0.00 H new ATOM 30 N GLY A 4 -15.591 -7.911 -6.568 1.00 0.00 N ATOM 31 CA GLY A 4 -16.289 -9.086 -6.079 1.00 0.00 C ATOM 32 C GLY A 4 -15.473 -9.866 -5.069 1.00 0.00 C ATOM 33 O GLY A 4 -15.340 -11.085 -5.177 1.00 0.00 O ATOM 0 H GLY A 4 -15.690 -7.080 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.231 -8.782 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.536 -9.734 -6.920 1.00 0.00 H new ATOM 37 N SER A 5 -14.924 -9.163 -4.084 1.00 0.00 N ATOM 38 CA SER A 5 -14.111 -9.797 -3.052 1.00 0.00 C ATOM 39 C SER A 5 -14.656 -11.179 -2.704 1.00 0.00 C ATOM 40 O SER A 5 -15.860 -11.354 -2.513 1.00 0.00 O ATOM 41 CB SER A 5 -14.069 -8.923 -1.797 1.00 0.00 C ATOM 42 OG SER A 5 -13.230 -7.797 -1.988 1.00 0.00 O ATOM 0 H SER A 5 -15.027 -8.154 -3.978 1.00 0.00 H new ATOM 0 HA SER A 5 -13.099 -9.911 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.077 -8.591 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.708 -9.510 -0.953 1.00 0.00 H new ATOM 0 HG SER A 5 -13.221 -7.253 -1.173 1.00 0.00 H new ATOM 48 N SER A 6 -13.761 -12.158 -2.625 1.00 0.00 N ATOM 49 CA SER A 6 -14.151 -13.526 -2.304 1.00 0.00 C ATOM 50 C SER A 6 -13.633 -13.930 -0.927 1.00 0.00 C ATOM 51 O SER A 6 -12.426 -14.014 -0.706 1.00 0.00 O ATOM 52 CB SER A 6 -13.621 -14.492 -3.365 1.00 0.00 C ATOM 53 OG SER A 6 -13.832 -15.839 -2.980 1.00 0.00 O ATOM 0 H SER A 6 -12.761 -12.030 -2.779 1.00 0.00 H new ATOM 0 HA SER A 6 -15.240 -13.574 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.118 -14.300 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.556 -14.318 -3.521 1.00 0.00 H new ATOM 0 HG SER A 6 -13.486 -16.436 -3.676 1.00 0.00 H new ATOM 59 N GLY A 7 -14.557 -14.181 -0.004 1.00 0.00 N ATOM 60 CA GLY A 7 -14.175 -14.573 1.340 1.00 0.00 C ATOM 61 C GLY A 7 -14.107 -13.394 2.291 1.00 0.00 C ATOM 62 O GLY A 7 -13.023 -12.979 2.699 1.00 0.00 O ATOM 0 H GLY A 7 -15.563 -14.120 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.891 -15.301 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.204 -15.067 1.309 1.00 0.00 H new ATOM 66 N ARG A 8 -15.269 -12.853 2.644 1.00 0.00 N ATOM 67 CA ARG A 8 -15.337 -11.714 3.550 1.00 0.00 C ATOM 68 C ARG A 8 -15.684 -12.165 4.966 1.00 0.00 C ATOM 69 O ARG A 8 -16.839 -12.469 5.266 1.00 0.00 O ATOM 70 CB ARG A 8 -16.375 -10.704 3.057 1.00 0.00 C ATOM 71 CG ARG A 8 -17.683 -11.341 2.618 1.00 0.00 C ATOM 72 CD ARG A 8 -17.688 -11.632 1.125 1.00 0.00 C ATOM 73 NE ARG A 8 -18.845 -12.429 0.727 1.00 0.00 N ATOM 74 CZ ARG A 8 -19.345 -12.434 -0.504 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.792 -11.688 -1.451 1.00 0.00 N ATOM 76 NH2 ARG A 8 -20.401 -13.186 -0.789 1.00 0.00 N ATOM 0 H ARG A 8 -16.176 -13.186 2.316 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.357 -11.238 3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.579 -9.987 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.956 -10.143 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.841 -12.267 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.512 -10.678 2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.688 -10.692 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.774 -12.161 0.856 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.294 -13.014 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.981 -11.109 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.178 -11.694 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.829 -13.760 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.784 -13.189 -1.734 1.00 0.00 H new ATOM 90 N ASP A 9 -14.677 -12.207 5.831 1.00 0.00 N ATOM 91 CA ASP A 9 -14.875 -12.620 7.216 1.00 0.00 C ATOM 92 C ASP A 9 -15.050 -11.408 8.125 1.00 0.00 C ATOM 93 O ASP A 9 -14.078 -10.743 8.484 1.00 0.00 O ATOM 94 CB ASP A 9 -13.691 -13.464 7.692 1.00 0.00 C ATOM 95 CG ASP A 9 -12.359 -12.900 7.241 1.00 0.00 C ATOM 96 OD1 ASP A 9 -12.134 -11.686 7.429 1.00 0.00 O ATOM 97 OD2 ASP A 9 -11.540 -13.671 6.698 1.00 0.00 O ATOM 0 H ASP A 9 -13.715 -11.960 5.598 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.783 -13.221 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.706 -13.525 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.798 -14.481 7.314 1.00 0.00 H new ATOM 102 N ARG A 10 -16.296 -11.127 8.494 1.00 0.00 N ATOM 103 CA ARG A 10 -16.599 -9.993 9.359 1.00 0.00 C ATOM 104 C ARG A 10 -16.122 -10.256 10.785 1.00 0.00 C ATOM 105 O ARG A 10 -15.530 -9.385 11.422 1.00 0.00 O ATOM 106 CB ARG A 10 -18.102 -9.710 9.356 1.00 0.00 C ATOM 107 CG ARG A 10 -18.936 -10.837 9.944 1.00 0.00 C ATOM 108 CD ARG A 10 -20.421 -10.610 9.713 1.00 0.00 C ATOM 109 NE ARG A 10 -20.831 -10.996 8.366 1.00 0.00 N ATOM 110 CZ ARG A 10 -22.062 -11.389 8.056 1.00 0.00 C ATOM 111 NH1 ARG A 10 -22.998 -11.447 8.993 1.00 0.00 N ATOM 112 NH2 ARG A 10 -22.358 -11.724 6.807 1.00 0.00 N ATOM 0 H ARG A 10 -17.111 -11.669 8.207 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.072 -9.121 8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.292 -8.797 9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -18.426 -9.526 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.638 -11.784 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.741 -10.916 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.993 -11.182 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.657 -9.558 9.876 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.134 -10.962 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -22.774 -11.190 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -23.942 -11.749 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.640 -11.680 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -23.303 -12.026 6.570 1.00 0.00 H new ATOM 126 N SER A 11 -16.386 -11.461 11.279 1.00 0.00 N ATOM 127 CA SER A 11 -15.989 -11.836 12.631 1.00 0.00 C ATOM 128 C SER A 11 -14.654 -11.196 13.002 1.00 0.00 C ATOM 129 O SER A 11 -14.489 -10.670 14.104 1.00 0.00 O ATOM 130 CB SER A 11 -15.888 -13.358 12.751 1.00 0.00 C ATOM 131 OG SER A 11 -15.235 -13.733 13.952 1.00 0.00 O ATOM 0 H SER A 11 -16.873 -12.194 10.764 1.00 0.00 H new ATOM 0 HA SER A 11 -16.751 -11.473 13.321 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.886 -13.795 12.724 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.342 -13.758 11.896 1.00 0.00 H new ATOM 0 HG SER A 11 -15.185 -14.710 14.006 1.00 0.00 H new ATOM 137 N THR A 12 -13.703 -11.245 12.075 1.00 0.00 N ATOM 138 CA THR A 12 -12.383 -10.672 12.303 1.00 0.00 C ATOM 139 C THR A 12 -12.205 -9.373 11.525 1.00 0.00 C ATOM 140 O THR A 12 -12.763 -9.207 10.440 1.00 0.00 O ATOM 141 CB THR A 12 -11.267 -11.655 11.902 1.00 0.00 C ATOM 142 OG1 THR A 12 -11.445 -12.071 10.543 1.00 0.00 O ATOM 143 CG2 THR A 12 -11.264 -12.872 12.814 1.00 0.00 C ATOM 0 H THR A 12 -13.823 -11.676 11.158 1.00 0.00 H new ATOM 0 HA THR A 12 -12.308 -10.465 13.371 1.00 0.00 H new ATOM 0 HB THR A 12 -10.310 -11.143 12.002 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.569 -12.195 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.467 -13.552 12.511 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.098 -12.555 13.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.224 -13.383 12.742 1.00 0.00 H new ATOM 151 N ILE A 13 -11.424 -8.456 12.085 1.00 0.00 N ATOM 152 CA ILE A 13 -11.171 -7.172 11.441 1.00 0.00 C ATOM 153 C ILE A 13 -9.728 -6.728 11.648 1.00 0.00 C ATOM 154 O ILE A 13 -9.067 -7.153 12.595 1.00 0.00 O ATOM 155 CB ILE A 13 -12.115 -6.079 11.976 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.558 -6.589 12.005 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.008 -4.823 11.124 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.519 -5.643 12.689 1.00 0.00 C ATOM 0 H ILE A 13 -10.955 -8.577 12.983 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.356 -7.311 10.376 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.818 -5.830 12.995 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.895 -6.760 10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.584 -7.552 12.515 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.681 -4.060 11.515 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.984 -4.451 11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.283 -5.057 10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.522 -6.069 12.672 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.206 -5.491 13.722 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.522 -4.687 12.166 1.00 0.00 H new ATOM 170 N ALA A 14 -9.245 -5.869 10.757 1.00 0.00 N ATOM 171 CA ALA A 14 -7.881 -5.363 10.844 1.00 0.00 C ATOM 172 C ALA A 14 -7.862 -3.839 10.890 1.00 0.00 C ATOM 173 O ALA A 14 -8.377 -3.175 9.990 1.00 0.00 O ATOM 174 CB ALA A 14 -7.055 -5.868 9.670 1.00 0.00 C ATOM 0 H ALA A 14 -9.779 -5.509 9.966 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.441 -5.733 11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.038 -5.482 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.032 -6.958 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.502 -5.526 8.737 1.00 0.00 H new ATOM 180 N ARG A 15 -7.266 -3.291 11.944 1.00 0.00 N ATOM 181 CA ARG A 15 -7.182 -1.845 12.108 1.00 0.00 C ATOM 182 C ARG A 15 -5.920 -1.295 11.449 1.00 0.00 C ATOM 183 O ARG A 15 -4.869 -1.198 12.084 1.00 0.00 O ATOM 184 CB ARG A 15 -7.197 -1.476 13.592 1.00 0.00 C ATOM 185 CG ARG A 15 -7.830 -0.124 13.878 1.00 0.00 C ATOM 186 CD ARG A 15 -7.444 0.391 15.256 1.00 0.00 C ATOM 187 NE ARG A 15 -7.564 1.844 15.350 1.00 0.00 N ATOM 188 CZ ARG A 15 -6.639 2.688 14.906 1.00 0.00 C ATOM 189 NH1 ARG A 15 -5.532 2.226 14.341 1.00 0.00 N ATOM 190 NH2 ARG A 15 -6.820 3.997 15.028 1.00 0.00 N ATOM 0 H ARG A 15 -6.834 -3.827 12.697 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.049 -1.399 11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.738 -2.245 14.143 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.174 -1.475 13.968 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.517 0.593 13.119 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.915 -0.207 13.810 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.080 -0.075 16.009 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.418 0.097 15.479 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.404 2.232 15.780 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.389 1.221 14.246 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.823 2.876 14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.670 4.356 15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.109 4.644 14.687 1.00 0.00 H new ATOM 204 N ILE A 16 -6.032 -0.938 10.174 1.00 0.00 N ATOM 205 CA ILE A 16 -4.900 -0.399 9.431 1.00 0.00 C ATOM 206 C ILE A 16 -4.968 1.123 9.355 1.00 0.00 C ATOM 207 O ILE A 16 -5.890 1.684 8.764 1.00 0.00 O ATOM 208 CB ILE A 16 -4.841 -0.970 8.002 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.079 -2.481 8.023 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.501 -0.649 7.358 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.056 -3.243 8.838 1.00 0.00 C ATOM 0 H ILE A 16 -6.894 -1.012 9.635 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.999 -0.695 9.969 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.628 -0.505 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.073 -2.679 8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.069 -2.856 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.475 -1.059 6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.368 0.432 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.698 -1.089 7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.287 -4.308 8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.062 -3.076 8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.081 -2.895 9.871 1.00 0.00 H new ATOM 223 N GLN A 17 -3.984 1.784 9.956 1.00 0.00 N ATOM 224 CA GLN A 17 -3.931 3.241 9.956 1.00 0.00 C ATOM 225 C GLN A 17 -3.024 3.753 8.842 1.00 0.00 C ATOM 226 O GLN A 17 -1.880 3.319 8.711 1.00 0.00 O ATOM 227 CB GLN A 17 -3.437 3.755 11.309 1.00 0.00 C ATOM 228 CG GLN A 17 -3.355 5.271 11.391 1.00 0.00 C ATOM 229 CD GLN A 17 -3.120 5.767 12.804 1.00 0.00 C ATOM 230 OE1 GLN A 17 -2.717 5.005 13.683 1.00 0.00 O ATOM 231 NE2 GLN A 17 -3.371 7.052 13.030 1.00 0.00 N ATOM 0 H GLN A 17 -3.213 1.334 10.449 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.939 3.616 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.104 3.393 12.091 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.452 3.335 11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.548 5.623 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.280 5.702 11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.704 7.648 12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.231 7.443 13.962 1.00 0.00 H new ATOM 240 N PHE A 18 -3.543 4.678 8.041 1.00 0.00 N ATOM 241 CA PHE A 18 -2.780 5.248 6.936 1.00 0.00 C ATOM 242 C PHE A 18 -2.317 6.663 7.269 1.00 0.00 C ATOM 243 O PHE A 18 -3.130 7.576 7.415 1.00 0.00 O ATOM 244 CB PHE A 18 -3.624 5.262 5.660 1.00 0.00 C ATOM 245 CG PHE A 18 -4.012 3.892 5.182 1.00 0.00 C ATOM 246 CD1 PHE A 18 -5.149 3.269 5.671 1.00 0.00 C ATOM 247 CD2 PHE A 18 -3.239 3.227 4.244 1.00 0.00 C ATOM 248 CE1 PHE A 18 -5.508 2.009 5.233 1.00 0.00 C ATOM 249 CE2 PHE A 18 -3.594 1.966 3.802 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.729 1.356 4.298 1.00 0.00 C ATOM 0 H PHE A 18 -4.488 5.049 8.136 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.900 4.625 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.527 5.845 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.068 5.769 4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.762 3.774 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.349 3.699 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.397 1.535 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.984 1.459 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.007 0.370 3.956 1.00 0.00 H new ATOM 260 N ARG A 19 -1.004 6.836 7.388 1.00 0.00 N ATOM 261 CA ARG A 19 -0.432 8.139 7.705 1.00 0.00 C ATOM 262 C ARG A 19 0.052 8.843 6.441 1.00 0.00 C ATOM 263 O ARG A 19 0.672 8.226 5.573 1.00 0.00 O ATOM 264 CB ARG A 19 0.728 7.984 8.691 1.00 0.00 C ATOM 265 CG ARG A 19 0.326 7.338 10.007 1.00 0.00 C ATOM 266 CD ARG A 19 1.191 7.831 11.156 1.00 0.00 C ATOM 267 NE ARG A 19 0.936 9.235 11.469 1.00 0.00 N ATOM 268 CZ ARG A 19 1.197 9.784 12.650 1.00 0.00 C ATOM 269 NH1 ARG A 19 1.719 9.051 13.625 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.938 11.068 12.858 1.00 0.00 N ATOM 0 H ARG A 19 -0.318 6.091 7.270 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.211 8.748 8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.511 7.385 8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.155 8.966 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.721 7.559 10.217 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.413 6.255 9.923 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.001 7.222 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.243 7.702 10.900 1.00 0.00 H new ATOM 0 HE ARG A 19 0.536 9.826 10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.921 8.063 13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.919 9.475 14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.538 11.635 12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.139 11.488 13.765 1.00 0.00 H new ATOM 284 N LEU A 20 -0.234 10.136 6.343 1.00 0.00 N ATOM 285 CA LEU A 20 0.171 10.924 5.185 1.00 0.00 C ATOM 286 C LEU A 20 1.253 11.931 5.562 1.00 0.00 C ATOM 287 O LEU A 20 1.365 12.356 6.712 1.00 0.00 O ATOM 288 CB LEU A 20 -1.036 11.654 4.592 1.00 0.00 C ATOM 289 CG LEU A 20 -2.107 10.769 3.952 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.341 11.589 3.609 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.559 10.081 2.711 1.00 0.00 C ATOM 0 H LEU A 20 -0.745 10.661 7.052 1.00 0.00 H new ATOM 0 HA LEU A 20 0.579 10.243 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.503 12.243 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.677 12.357 3.840 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.394 10.001 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.092 10.943 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.746 12.034 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.070 12.379 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.335 9.456 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.243 10.833 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.706 9.461 2.986 1.00 0.00 H new ATOM 303 N PRO A 21 2.067 12.324 4.572 1.00 0.00 N ATOM 304 CA PRO A 21 3.153 13.288 4.776 1.00 0.00 C ATOM 305 C PRO A 21 2.635 14.698 5.041 1.00 0.00 C ATOM 306 O PRO A 21 3.342 15.533 5.605 1.00 0.00 O ATOM 307 CB PRO A 21 3.922 13.242 3.453 1.00 0.00 C ATOM 308 CG PRO A 21 2.919 12.791 2.448 1.00 0.00 C ATOM 309 CD PRO A 21 1.991 11.859 3.177 1.00 0.00 C ATOM 0 HA PRO A 21 3.760 13.039 5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.327 14.221 3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.765 12.553 3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.374 13.639 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.404 12.285 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.974 11.919 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.308 10.820 3.082 1.00 0.00 H new ATOM 317 N ASP A 22 1.397 14.955 4.632 1.00 0.00 N ATOM 318 CA ASP A 22 0.784 16.263 4.828 1.00 0.00 C ATOM 319 C ASP A 22 0.492 16.511 6.304 1.00 0.00 C ATOM 320 O ASP A 22 0.842 17.557 6.849 1.00 0.00 O ATOM 321 CB ASP A 22 -0.507 16.371 4.015 1.00 0.00 C ATOM 322 CG ASP A 22 -0.875 17.808 3.700 1.00 0.00 C ATOM 323 OD1 ASP A 22 -1.248 18.544 4.638 1.00 0.00 O ATOM 324 OD2 ASP A 22 -0.789 18.196 2.517 1.00 0.00 O ATOM 0 H ASP A 22 0.799 14.275 4.163 1.00 0.00 H new ATOM 0 HA ASP A 22 1.487 17.022 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.394 15.816 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.321 15.903 4.568 1.00 0.00 H new ATOM 329 N GLY A 23 -0.153 15.542 6.946 1.00 0.00 N ATOM 330 CA GLY A 23 -0.482 15.675 8.354 1.00 0.00 C ATOM 331 C GLY A 23 -1.679 14.834 8.751 1.00 0.00 C ATOM 332 O GLY A 23 -1.669 14.183 9.796 1.00 0.00 O ATOM 0 H GLY A 23 -0.454 14.667 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.379 15.382 8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.686 16.722 8.579 1.00 0.00 H new ATOM 336 N SER A 24 -2.714 14.848 7.917 1.00 0.00 N ATOM 337 CA SER A 24 -3.926 14.085 8.190 1.00 0.00 C ATOM 338 C SER A 24 -3.695 12.596 7.956 1.00 0.00 C ATOM 339 O SER A 24 -2.736 12.202 7.292 1.00 0.00 O ATOM 340 CB SER A 24 -5.075 14.580 7.309 1.00 0.00 C ATOM 341 OG SER A 24 -6.331 14.257 7.880 1.00 0.00 O ATOM 0 H SER A 24 -2.737 15.379 7.047 1.00 0.00 H new ATOM 0 HA SER A 24 -4.191 14.233 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.998 15.659 7.178 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.997 14.133 6.318 1.00 0.00 H new ATOM 0 HG SER A 24 -7.049 14.585 7.299 1.00 0.00 H new ATOM 347 N SER A 25 -4.580 11.772 8.507 1.00 0.00 N ATOM 348 CA SER A 25 -4.472 10.325 8.362 1.00 0.00 C ATOM 349 C SER A 25 -5.851 9.673 8.369 1.00 0.00 C ATOM 350 O SER A 25 -6.786 10.178 8.991 1.00 0.00 O ATOM 351 CB SER A 25 -3.614 9.742 9.487 1.00 0.00 C ATOM 352 OG SER A 25 -2.290 10.245 9.432 1.00 0.00 O ATOM 0 H SER A 25 -5.380 12.082 9.058 1.00 0.00 H new ATOM 0 HA SER A 25 -3.996 10.115 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.059 9.986 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.597 8.655 9.409 1.00 0.00 H new ATOM 0 HG SER A 25 -1.763 9.859 10.162 1.00 0.00 H new ATOM 358 N PHE A 26 -5.970 8.548 7.673 1.00 0.00 N ATOM 359 CA PHE A 26 -7.235 7.826 7.597 1.00 0.00 C ATOM 360 C PHE A 26 -7.034 6.343 7.897 1.00 0.00 C ATOM 361 O PHE A 26 -6.108 5.713 7.385 1.00 0.00 O ATOM 362 CB PHE A 26 -7.862 7.997 6.211 1.00 0.00 C ATOM 363 CG PHE A 26 -6.916 7.693 5.084 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.735 6.391 4.646 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.209 8.710 4.463 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.866 6.109 3.609 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.339 8.433 3.425 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.166 7.131 2.998 1.00 0.00 C ATOM 0 H PHE A 26 -5.206 8.116 7.153 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.908 8.242 8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.731 7.344 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.221 9.021 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.279 5.588 5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.339 9.730 4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.734 5.090 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.795 9.235 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.485 6.913 2.189 1.00 0.00 H new ATOM 378 N THR A 27 -7.908 5.791 8.733 1.00 0.00 N ATOM 379 CA THR A 27 -7.827 4.384 9.104 1.00 0.00 C ATOM 380 C THR A 27 -9.034 3.609 8.587 1.00 0.00 C ATOM 381 O THR A 27 -10.150 3.783 9.073 1.00 0.00 O ATOM 382 CB THR A 27 -7.735 4.210 10.631 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.667 5.009 11.152 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.510 2.751 10.997 1.00 0.00 C ATOM 0 H THR A 27 -8.680 6.297 9.166 1.00 0.00 H new ATOM 0 HA THR A 27 -6.921 3.988 8.646 1.00 0.00 H new ATOM 0 HB THR A 27 -8.678 4.536 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.616 4.894 12.124 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.448 2.653 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.340 2.150 10.625 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.580 2.402 10.548 1.00 0.00 H new ATOM 392 N ASN A 28 -8.801 2.751 7.599 1.00 0.00 N ATOM 393 CA ASN A 28 -9.870 1.948 7.016 1.00 0.00 C ATOM 394 C ASN A 28 -10.090 0.670 7.819 1.00 0.00 C ATOM 395 O ASN A 28 -9.479 0.473 8.869 1.00 0.00 O ATOM 396 CB ASN A 28 -9.540 1.600 5.563 1.00 0.00 C ATOM 397 CG ASN A 28 -10.785 1.418 4.715 1.00 0.00 C ATOM 398 OD1 ASN A 28 -11.636 2.437 4.689 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -10.978 0.374 4.092 1.00 0.00 N flip ATOM 0 H ASN A 28 -7.882 2.594 7.185 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.788 2.535 7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.924 2.390 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.949 0.685 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.296 -0.383 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.820 0.266 3.526 1.00 0.00 H new ATOM 406 N GLN A 29 -10.967 -0.194 7.318 1.00 0.00 N ATOM 407 CA GLN A 29 -11.267 -1.453 7.989 1.00 0.00 C ATOM 408 C GLN A 29 -11.249 -2.615 7.002 1.00 0.00 C ATOM 409 O GLN A 29 -12.072 -2.681 6.089 1.00 0.00 O ATOM 410 CB GLN A 29 -12.631 -1.375 8.678 1.00 0.00 C ATOM 411 CG GLN A 29 -12.568 -0.826 10.094 1.00 0.00 C ATOM 412 CD GLN A 29 -13.937 -0.490 10.651 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.345 0.671 10.668 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.655 -1.508 11.111 1.00 0.00 N ATOM 0 H GLN A 29 -11.482 -0.045 6.450 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.497 -1.627 8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.294 -0.747 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.073 -2.371 8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.086 -1.558 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.946 0.069 10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.277 -2.455 11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.584 -1.343 11.498 1.00 0.00 H new ATOM 423 N PHE A 30 -10.303 -3.530 7.189 1.00 0.00 N ATOM 424 CA PHE A 30 -10.176 -4.689 6.314 1.00 0.00 C ATOM 425 C PHE A 30 -10.181 -5.984 7.122 1.00 0.00 C ATOM 426 O PHE A 30 -9.791 -6.018 8.289 1.00 0.00 O ATOM 427 CB PHE A 30 -8.890 -4.594 5.490 1.00 0.00 C ATOM 428 CG PHE A 30 -8.657 -3.233 4.898 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.317 -2.842 3.744 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.777 -2.345 5.496 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.105 -1.591 3.197 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.561 -1.092 4.954 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.225 -0.715 3.803 1.00 0.00 C ATOM 0 H PHE A 30 -9.613 -3.491 7.939 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.032 -4.699 5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.042 -4.856 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.928 -5.330 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.005 -3.523 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.254 -2.635 6.395 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.626 -1.298 2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.874 -0.408 5.430 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.057 0.263 3.377 1.00 0.00 H new ATOM 443 N PRO A 31 -10.634 -7.075 6.486 1.00 0.00 N ATOM 444 CA PRO A 31 -10.701 -8.392 7.126 1.00 0.00 C ATOM 445 C PRO A 31 -9.319 -8.988 7.371 1.00 0.00 C ATOM 446 O PRO A 31 -8.456 -8.962 6.494 1.00 0.00 O ATOM 447 CB PRO A 31 -11.476 -9.239 6.113 1.00 0.00 C ATOM 448 CG PRO A 31 -11.234 -8.576 4.801 1.00 0.00 C ATOM 449 CD PRO A 31 -11.114 -7.107 5.095 1.00 0.00 C ATOM 0 HA PRO A 31 -11.169 -8.344 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.123 -10.270 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.539 -9.268 6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.325 -8.956 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.053 -8.770 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.415 -6.618 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.071 -6.596 4.988 1.00 0.00 H new ATOM 457 N SER A 32 -9.116 -9.526 8.570 1.00 0.00 N ATOM 458 CA SER A 32 -7.838 -10.127 8.932 1.00 0.00 C ATOM 459 C SER A 32 -7.195 -10.805 7.726 1.00 0.00 C ATOM 460 O SER A 32 -5.981 -10.738 7.536 1.00 0.00 O ATOM 461 CB SER A 32 -8.028 -11.141 10.061 1.00 0.00 C ATOM 462 OG SER A 32 -8.553 -12.361 9.567 1.00 0.00 O ATOM 0 H SER A 32 -9.821 -9.558 9.307 1.00 0.00 H new ATOM 0 HA SER A 32 -7.176 -9.332 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.073 -11.325 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.701 -10.730 10.814 1.00 0.00 H new ATOM 0 HG SER A 32 -8.664 -12.993 10.308 1.00 0.00 H new ATOM 468 N ASP A 33 -8.019 -11.459 6.915 1.00 0.00 N ATOM 469 CA ASP A 33 -7.534 -12.150 5.726 1.00 0.00 C ATOM 470 C ASP A 33 -6.972 -11.158 4.712 1.00 0.00 C ATOM 471 O ASP A 33 -5.891 -11.362 4.161 1.00 0.00 O ATOM 472 CB ASP A 33 -8.659 -12.967 5.089 1.00 0.00 C ATOM 473 CG ASP A 33 -9.447 -12.170 4.068 1.00 0.00 C ATOM 474 OD1 ASP A 33 -9.977 -11.100 4.432 1.00 0.00 O ATOM 475 OD2 ASP A 33 -9.533 -12.617 2.905 1.00 0.00 O ATOM 0 H ASP A 33 -9.027 -11.525 7.059 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.734 -12.825 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.236 -13.850 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.334 -13.321 5.869 1.00 0.00 H new ATOM 480 N ALA A 34 -7.715 -10.082 4.470 1.00 0.00 N ATOM 481 CA ALA A 34 -7.292 -9.058 3.524 1.00 0.00 C ATOM 482 C ALA A 34 -5.776 -8.893 3.536 1.00 0.00 C ATOM 483 O ALA A 34 -5.176 -8.522 4.545 1.00 0.00 O ATOM 484 CB ALA A 34 -7.971 -7.734 3.839 1.00 0.00 C ATOM 0 H ALA A 34 -8.613 -9.898 4.917 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.589 -9.377 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.645 -6.979 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.052 -7.855 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.703 -7.418 4.847 1.00 0.00 H new ATOM 490 N PRO A 35 -5.140 -9.175 2.389 1.00 0.00 N ATOM 491 CA PRO A 35 -3.685 -9.064 2.242 1.00 0.00 C ATOM 492 C PRO A 35 -3.209 -7.616 2.265 1.00 0.00 C ATOM 493 O PRO A 35 -3.898 -6.717 1.783 1.00 0.00 O ATOM 494 CB PRO A 35 -3.418 -9.694 0.873 1.00 0.00 C ATOM 495 CG PRO A 35 -4.694 -9.526 0.123 1.00 0.00 C ATOM 496 CD PRO A 35 -5.792 -9.622 1.147 1.00 0.00 C ATOM 0 HA PRO A 35 -3.154 -9.550 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.591 -9.199 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.150 -10.746 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.722 -8.565 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.803 -10.297 -0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.640 -8.988 0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.171 -10.640 1.236 1.00 0.00 H new ATOM 504 N LEU A 36 -2.025 -7.397 2.828 1.00 0.00 N ATOM 505 CA LEU A 36 -1.455 -6.057 2.913 1.00 0.00 C ATOM 506 C LEU A 36 -1.853 -5.218 1.702 1.00 0.00 C ATOM 507 O LEU A 36 -2.190 -4.042 1.835 1.00 0.00 O ATOM 508 CB LEU A 36 0.069 -6.135 3.015 1.00 0.00 C ATOM 509 CG LEU A 36 0.759 -4.943 3.679 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.259 -4.989 3.432 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.172 -3.635 3.170 1.00 0.00 C ATOM 0 H LEU A 36 -1.442 -8.130 3.232 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.849 -5.578 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.330 -7.036 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.475 -6.251 2.010 1.00 0.00 H new ATOM 0 HG LEU A 36 0.587 -5.001 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.733 -4.133 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.668 -5.910 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.452 -4.957 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.675 -2.798 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.312 -3.569 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.893 -3.600 3.400 1.00 0.00 H new ATOM 523 N GLU A 37 -1.813 -5.832 0.524 1.00 0.00 N ATOM 524 CA GLU A 37 -2.171 -5.141 -0.709 1.00 0.00 C ATOM 525 C GLU A 37 -3.468 -4.355 -0.536 1.00 0.00 C ATOM 526 O GLU A 37 -3.530 -3.167 -0.847 1.00 0.00 O ATOM 527 CB GLU A 37 -2.318 -6.143 -1.857 1.00 0.00 C ATOM 528 CG GLU A 37 -2.837 -5.523 -3.143 1.00 0.00 C ATOM 529 CD GLU A 37 -2.379 -6.273 -4.378 1.00 0.00 C ATOM 530 OE1 GLU A 37 -1.253 -6.009 -4.849 1.00 0.00 O ATOM 531 OE2 GLU A 37 -3.146 -7.124 -4.875 1.00 0.00 O ATOM 0 H GLU A 37 -1.537 -6.806 0.397 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.371 -4.440 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.350 -6.605 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.995 -6.939 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.927 -5.502 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.500 -4.488 -3.205 1.00 0.00 H new ATOM 538 N GLU A 38 -4.500 -5.030 -0.038 1.00 0.00 N ATOM 539 CA GLU A 38 -5.795 -4.395 0.174 1.00 0.00 C ATOM 540 C GLU A 38 -5.625 -2.994 0.756 1.00 0.00 C ATOM 541 O GLU A 38 -6.339 -2.065 0.380 1.00 0.00 O ATOM 542 CB GLU A 38 -6.657 -5.246 1.109 1.00 0.00 C ATOM 543 CG GLU A 38 -7.441 -6.333 0.393 1.00 0.00 C ATOM 544 CD GLU A 38 -8.204 -5.808 -0.808 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.848 -4.746 -0.684 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.155 -6.459 -1.872 1.00 0.00 O ATOM 0 H GLU A 38 -4.464 -6.015 0.226 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.293 -4.311 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.016 -5.707 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.354 -4.596 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.756 -7.116 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.141 -6.791 1.092 1.00 0.00 H new ATOM 553 N ALA A 39 -4.676 -2.852 1.674 1.00 0.00 N ATOM 554 CA ALA A 39 -4.411 -1.566 2.307 1.00 0.00 C ATOM 555 C ALA A 39 -3.834 -0.571 1.306 1.00 0.00 C ATOM 556 O ALA A 39 -4.111 0.627 1.377 1.00 0.00 O ATOM 557 CB ALA A 39 -3.464 -1.742 3.484 1.00 0.00 C ATOM 0 H ALA A 39 -4.077 -3.612 1.997 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.357 -1.167 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.275 -0.773 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.914 -2.413 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.523 -2.166 3.134 1.00 0.00 H new ATOM 563 N ARG A 40 -3.030 -1.073 0.375 1.00 0.00 N ATOM 564 CA ARG A 40 -2.412 -0.227 -0.640 1.00 0.00 C ATOM 565 C ARG A 40 -3.444 0.231 -1.667 1.00 0.00 C ATOM 566 O ARG A 40 -3.561 1.422 -1.952 1.00 0.00 O ATOM 567 CB ARG A 40 -1.279 -0.979 -1.340 1.00 0.00 C ATOM 568 CG ARG A 40 -0.182 -0.070 -1.870 1.00 0.00 C ATOM 569 CD ARG A 40 1.017 -0.869 -2.355 1.00 0.00 C ATOM 570 NE ARG A 40 2.177 -0.018 -2.608 1.00 0.00 N ATOM 571 CZ ARG A 40 2.382 0.623 -3.753 1.00 0.00 C ATOM 572 NH1 ARG A 40 1.511 0.509 -4.746 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.462 1.380 -3.907 1.00 0.00 N ATOM 0 H ARG A 40 -2.791 -2.062 0.302 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.002 0.653 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.842 -1.693 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.693 -1.555 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.573 0.535 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.132 0.619 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.276 -1.622 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.752 -1.401 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 40 2.867 0.090 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.681 -0.072 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.671 1.003 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.135 1.469 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.619 1.872 -4.787 1.00 0.00 H new ATOM 587 N GLN A 41 -4.188 -0.723 -2.217 1.00 0.00 N ATOM 588 CA GLN A 41 -5.208 -0.416 -3.213 1.00 0.00 C ATOM 589 C GLN A 41 -6.182 0.634 -2.689 1.00 0.00 C ATOM 590 O GLN A 41 -6.472 1.620 -3.367 1.00 0.00 O ATOM 591 CB GLN A 41 -5.968 -1.685 -3.602 1.00 0.00 C ATOM 592 CG GLN A 41 -7.206 -1.936 -2.756 1.00 0.00 C ATOM 593 CD GLN A 41 -8.015 -3.122 -3.243 1.00 0.00 C ATOM 594 OE1 GLN A 41 -7.371 -4.280 -3.337 1.00 0.00 O flip ATOM 595 NE2 GLN A 41 -9.205 -3.000 -3.532 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.104 -1.714 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.710 -0.014 -4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.262 -1.616 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.299 -2.541 -3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.906 -2.105 -1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.834 -1.045 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.660 -2.091 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.736 -3.807 -3.859 1.00 0.00 H new ATOM 604 N PHE A 42 -6.684 0.416 -1.478 1.00 0.00 N ATOM 605 CA PHE A 42 -7.627 1.343 -0.863 1.00 0.00 C ATOM 606 C PHE A 42 -7.062 2.760 -0.844 1.00 0.00 C ATOM 607 O PHE A 42 -7.612 3.667 -1.469 1.00 0.00 O ATOM 608 CB PHE A 42 -7.960 0.895 0.562 1.00 0.00 C ATOM 609 CG PHE A 42 -8.769 1.899 1.332 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.097 2.129 1.013 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.201 2.613 2.375 1.00 0.00 C ATOM 612 CE1 PHE A 42 -10.845 3.052 1.720 1.00 0.00 C ATOM 613 CE2 PHE A 42 -8.944 3.536 3.086 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.267 3.757 2.757 1.00 0.00 C ATOM 0 H PHE A 42 -6.454 -0.394 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.540 1.343 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.508 -0.046 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.032 0.699 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.554 1.581 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.166 2.446 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.880 3.221 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.490 4.084 3.898 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.848 4.480 3.310 1.00 0.00 H new ATOM 624 N ALA A 43 -5.962 2.943 -0.122 1.00 0.00 N ATOM 625 CA ALA A 43 -5.321 4.248 -0.022 1.00 0.00 C ATOM 626 C ALA A 43 -5.213 4.913 -1.390 1.00 0.00 C ATOM 627 O ALA A 43 -5.478 6.106 -1.534 1.00 0.00 O ATOM 628 CB ALA A 43 -3.944 4.113 0.612 1.00 0.00 C ATOM 0 H ALA A 43 -5.496 2.203 0.403 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.940 4.882 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.477 5.096 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.043 3.688 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.324 3.458 -0.001 1.00 0.00 H new ATOM 634 N ALA A 44 -4.820 4.133 -2.393 1.00 0.00 N ATOM 635 CA ALA A 44 -4.678 4.646 -3.749 1.00 0.00 C ATOM 636 C ALA A 44 -5.989 5.241 -4.251 1.00 0.00 C ATOM 637 O ALA A 44 -5.990 6.201 -5.022 1.00 0.00 O ATOM 638 CB ALA A 44 -4.205 3.542 -4.684 1.00 0.00 C ATOM 0 H ALA A 44 -4.595 3.143 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.931 5.440 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.103 3.939 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.241 3.165 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.932 2.730 -4.685 1.00 0.00 H new ATOM 644 N GLN A 45 -7.103 4.665 -3.810 1.00 0.00 N ATOM 645 CA GLN A 45 -8.420 5.139 -4.216 1.00 0.00 C ATOM 646 C GLN A 45 -8.758 6.461 -3.534 1.00 0.00 C ATOM 647 O GLN A 45 -9.381 7.339 -4.131 1.00 0.00 O ATOM 648 CB GLN A 45 -9.486 4.093 -3.885 1.00 0.00 C ATOM 649 CG GLN A 45 -9.733 3.100 -5.009 1.00 0.00 C ATOM 650 CD GLN A 45 -10.871 2.145 -4.704 1.00 0.00 C ATOM 651 OE1 GLN A 45 -12.039 2.536 -4.696 1.00 0.00 O ATOM 652 NE2 GLN A 45 -10.536 0.886 -4.452 1.00 0.00 N ATOM 0 H GLN A 45 -7.119 3.870 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.403 5.302 -5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.184 3.549 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.421 4.601 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.956 3.644 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.823 2.529 -5.190 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.555 0.606 -4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.259 0.198 -4.241 1.00 0.00 H new ATOM 661 N THR A 46 -8.343 6.595 -2.278 1.00 0.00 N ATOM 662 CA THR A 46 -8.603 7.808 -1.513 1.00 0.00 C ATOM 663 C THR A 46 -7.734 8.962 -2.000 1.00 0.00 C ATOM 664 O THR A 46 -8.242 10.008 -2.404 1.00 0.00 O ATOM 665 CB THR A 46 -8.350 7.590 -0.009 1.00 0.00 C ATOM 666 OG1 THR A 46 -9.154 6.506 0.470 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.666 8.850 0.781 1.00 0.00 C ATOM 0 H THR A 46 -7.825 5.878 -1.769 1.00 0.00 H new ATOM 0 HA THR A 46 -9.653 8.057 -1.665 1.00 0.00 H new ATOM 0 HB THR A 46 -7.296 7.349 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.987 6.372 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.480 8.672 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.032 9.666 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.713 9.117 0.637 1.00 0.00 H new ATOM 675 N VAL A 47 -6.420 8.765 -1.961 1.00 0.00 N ATOM 676 CA VAL A 47 -5.479 9.789 -2.400 1.00 0.00 C ATOM 677 C VAL A 47 -5.481 9.921 -3.919 1.00 0.00 C ATOM 678 O VAL A 47 -5.138 10.971 -4.461 1.00 0.00 O ATOM 679 CB VAL A 47 -4.048 9.477 -1.925 1.00 0.00 C ATOM 680 CG1 VAL A 47 -4.004 9.350 -0.409 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.530 8.211 -2.589 1.00 0.00 C ATOM 0 H VAL A 47 -5.983 7.905 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.804 10.730 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.399 10.303 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.985 9.129 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.331 10.286 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.665 8.543 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.517 8.006 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.179 7.374 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.522 8.345 -3.671 1.00 0.00 H new ATOM 691 N GLY A 48 -5.871 8.848 -4.601 1.00 0.00 N ATOM 692 CA GLY A 48 -5.911 8.865 -6.051 1.00 0.00 C ATOM 693 C GLY A 48 -4.563 9.188 -6.664 1.00 0.00 C ATOM 694 O GLY A 48 -3.563 8.541 -6.358 1.00 0.00 O ATOM 0 H GLY A 48 -6.160 7.968 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.248 7.894 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.643 9.601 -6.383 1.00 0.00 H new ATOM 698 N ASN A 49 -4.536 10.192 -7.535 1.00 0.00 N ATOM 699 CA ASN A 49 -3.300 10.598 -8.195 1.00 0.00 C ATOM 700 C ASN A 49 -2.750 11.880 -7.578 1.00 0.00 C ATOM 701 O ASN A 49 -2.324 12.792 -8.289 1.00 0.00 O ATOM 702 CB ASN A 49 -3.541 10.801 -9.693 1.00 0.00 C ATOM 703 CG ASN A 49 -4.317 12.070 -9.986 1.00 0.00 C ATOM 704 OD1 ASN A 49 -4.617 12.851 -9.083 1.00 0.00 O ATOM 705 ND2 ASN A 49 -4.648 12.281 -11.255 1.00 0.00 N ATOM 0 H ASN A 49 -5.355 10.739 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.565 9.805 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.583 10.836 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.086 9.945 -10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.172 13.117 -11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.378 11.607 -11.971 1.00 0.00 H new ATOM 712 N THR A 50 -2.761 11.944 -6.250 1.00 0.00 N ATOM 713 CA THR A 50 -2.265 13.113 -5.537 1.00 0.00 C ATOM 714 C THR A 50 -0.755 13.037 -5.339 1.00 0.00 C ATOM 715 O THR A 50 -0.029 13.978 -5.657 1.00 0.00 O ATOM 716 CB THR A 50 -2.944 13.264 -4.163 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.355 13.445 -4.331 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.364 14.444 -3.399 1.00 0.00 C ATOM 0 H THR A 50 -3.109 11.199 -5.647 1.00 0.00 H new ATOM 0 HA THR A 50 -2.505 13.982 -6.150 1.00 0.00 H new ATOM 0 HB THR A 50 -2.760 12.355 -3.590 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.739 12.649 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.859 14.530 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.296 14.289 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.520 15.359 -3.970 1.00 0.00 H new ATOM 726 N TYR A 51 -0.289 11.910 -4.812 1.00 0.00 N ATOM 727 CA TYR A 51 1.135 11.711 -4.570 1.00 0.00 C ATOM 728 C TYR A 51 1.780 10.939 -5.717 1.00 0.00 C ATOM 729 O TYR A 51 2.904 11.231 -6.123 1.00 0.00 O ATOM 730 CB TYR A 51 1.351 10.964 -3.253 1.00 0.00 C ATOM 731 CG TYR A 51 0.549 11.526 -2.100 1.00 0.00 C ATOM 732 CD1 TYR A 51 -0.819 11.303 -2.006 1.00 0.00 C ATOM 733 CD2 TYR A 51 1.160 12.279 -1.105 1.00 0.00 C ATOM 734 CE1 TYR A 51 -1.556 11.815 -0.955 1.00 0.00 C ATOM 735 CE2 TYR A 51 0.432 12.793 -0.050 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.926 12.559 0.020 1.00 0.00 C ATOM 737 OH TYR A 51 -1.655 13.070 1.069 1.00 0.00 O ATOM 0 H TYR A 51 -0.877 11.120 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 51 1.607 12.692 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.087 9.916 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.410 10.994 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.315 10.719 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.222 12.466 -1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.619 11.633 -0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.923 13.375 0.716 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.061 13.568 1.668 1.00 0.00 H new ATOM 747 N GLY A 52 1.058 9.950 -6.236 1.00 0.00 N ATOM 748 CA GLY A 52 1.574 9.150 -7.331 1.00 0.00 C ATOM 749 C GLY A 52 1.810 7.706 -6.934 1.00 0.00 C ATOM 750 O GLY A 52 0.997 7.109 -6.230 1.00 0.00 O ATOM 0 H GLY A 52 0.125 9.689 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.872 9.184 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.509 9.584 -7.684 1.00 0.00 H new ATOM 754 N ASN A 53 2.925 7.144 -7.387 1.00 0.00 N ATOM 755 CA ASN A 53 3.264 5.760 -7.076 1.00 0.00 C ATOM 756 C ASN A 53 3.842 5.644 -5.669 1.00 0.00 C ATOM 757 O ASN A 53 4.855 4.977 -5.455 1.00 0.00 O ATOM 758 CB ASN A 53 4.267 5.217 -8.097 1.00 0.00 C ATOM 759 CG ASN A 53 3.591 4.698 -9.352 1.00 0.00 C ATOM 760 OD1 ASN A 53 2.473 5.097 -9.678 1.00 0.00 O ATOM 761 ND2 ASN A 53 4.268 3.804 -10.062 1.00 0.00 N ATOM 0 H ASN A 53 3.609 7.625 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 53 2.349 5.169 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.970 6.005 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.847 4.414 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.864 3.419 -10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.192 3.502 -9.754 1.00 0.00 H new ATOM 768 N PHE A 54 3.190 6.297 -4.712 1.00 0.00 N ATOM 769 CA PHE A 54 3.638 6.268 -3.325 1.00 0.00 C ATOM 770 C PHE A 54 3.841 4.832 -2.849 1.00 0.00 C ATOM 771 O PHE A 54 3.500 3.880 -3.551 1.00 0.00 O ATOM 772 CB PHE A 54 2.625 6.977 -2.425 1.00 0.00 C ATOM 773 CG PHE A 54 1.333 6.227 -2.269 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.240 5.154 -1.397 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.211 6.594 -2.995 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.053 4.462 -1.251 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.979 5.906 -2.852 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.058 4.838 -1.981 1.00 0.00 C ATOM 0 H PHE A 54 2.350 6.853 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 54 4.593 6.790 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.069 7.129 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.415 7.965 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.106 4.855 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.267 7.427 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.006 3.628 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.847 6.204 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.986 4.297 -1.870 1.00 0.00 H new ATOM 788 N SER A 55 4.399 4.685 -1.652 1.00 0.00 N ATOM 789 CA SER A 55 4.652 3.367 -1.083 1.00 0.00 C ATOM 790 C SER A 55 4.178 3.300 0.366 1.00 0.00 C ATOM 791 O SER A 55 3.682 4.285 0.915 1.00 0.00 O ATOM 792 CB SER A 55 6.143 3.033 -1.159 1.00 0.00 C ATOM 793 OG SER A 55 6.347 1.636 -1.284 1.00 0.00 O ATOM 0 H SER A 55 4.685 5.463 -1.057 1.00 0.00 H new ATOM 0 HA SER A 55 4.092 2.634 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.591 3.547 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.647 3.399 -0.264 1.00 0.00 H new ATOM 0 HG SER A 55 7.308 1.449 -1.332 1.00 0.00 H new ATOM 799 N LEU A 56 4.334 2.132 0.980 1.00 0.00 N ATOM 800 CA LEU A 56 3.922 1.935 2.365 1.00 0.00 C ATOM 801 C LEU A 56 5.055 1.332 3.189 1.00 0.00 C ATOM 802 O LEU A 56 5.883 0.584 2.671 1.00 0.00 O ATOM 803 CB LEU A 56 2.692 1.028 2.428 1.00 0.00 C ATOM 804 CG LEU A 56 1.399 1.610 1.856 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.335 0.530 1.735 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.901 2.757 2.724 1.00 0.00 C ATOM 0 H LEU A 56 4.743 1.307 0.540 1.00 0.00 H new ATOM 0 HA LEU A 56 3.670 2.909 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.918 0.105 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.516 0.759 3.470 1.00 0.00 H new ATOM 0 HG LEU A 56 1.608 1.999 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.578 0.963 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.691 -0.259 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.128 0.111 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.020 3.159 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.709 2.393 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.657 3.541 2.759 1.00 0.00 H new ATOM 818 N ALA A 57 5.084 1.662 4.477 1.00 0.00 N ATOM 819 CA ALA A 57 6.112 1.149 5.373 1.00 0.00 C ATOM 820 C ALA A 57 5.628 1.146 6.819 1.00 0.00 C ATOM 821 O ALA A 57 4.633 1.791 7.154 1.00 0.00 O ATOM 822 CB ALA A 57 7.384 1.974 5.243 1.00 0.00 C ATOM 0 H ALA A 57 4.407 2.282 4.922 1.00 0.00 H new ATOM 0 HA ALA A 57 6.328 0.120 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.144 1.580 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.748 1.922 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.173 3.012 5.501 1.00 0.00 H new ATOM 828 N THR A 58 6.336 0.415 7.674 1.00 0.00 N ATOM 829 CA THR A 58 5.977 0.326 9.084 1.00 0.00 C ATOM 830 C THR A 58 6.355 1.601 9.829 1.00 0.00 C ATOM 831 O THR A 58 6.822 2.567 9.227 1.00 0.00 O ATOM 832 CB THR A 58 6.662 -0.875 9.764 1.00 0.00 C ATOM 833 OG1 THR A 58 8.067 -0.858 9.488 1.00 0.00 O ATOM 834 CG2 THR A 58 6.061 -2.186 9.279 1.00 0.00 C ATOM 0 H THR A 58 7.162 -0.124 7.414 1.00 0.00 H new ATOM 0 HA THR A 58 4.896 0.190 9.127 1.00 0.00 H new ATOM 0 HB THR A 58 6.502 -0.796 10.839 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.312 0.005 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.560 -3.020 9.773 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.997 -2.208 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.194 -2.270 8.200 1.00 0.00 H new ATOM 842 N MET A 59 6.151 1.596 11.143 1.00 0.00 N ATOM 843 CA MET A 59 6.473 2.752 11.970 1.00 0.00 C ATOM 844 C MET A 59 7.506 2.390 13.033 1.00 0.00 C ATOM 845 O MET A 59 8.458 3.134 13.265 1.00 0.00 O ATOM 846 CB MET A 59 5.208 3.298 12.637 1.00 0.00 C ATOM 847 CG MET A 59 4.297 4.055 11.684 1.00 0.00 C ATOM 848 SD MET A 59 3.019 4.993 12.543 1.00 0.00 S ATOM 849 CE MET A 59 4.020 6.058 13.578 1.00 0.00 C ATOM 0 H MET A 59 5.764 0.804 11.657 1.00 0.00 H new ATOM 0 HA MET A 59 6.896 3.522 11.325 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.652 2.470 13.077 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.495 3.959 13.455 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.896 4.735 11.078 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.826 3.349 11.000 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.602 7.065 13.575 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.029 5.671 14.597 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.039 6.087 13.192 1.00 0.00 H new ATOM 859 N PHE A 60 7.311 1.243 13.674 1.00 0.00 N ATOM 860 CA PHE A 60 8.225 0.783 14.713 1.00 0.00 C ATOM 861 C PHE A 60 9.507 0.226 14.102 1.00 0.00 C ATOM 862 O PHE A 60 10.589 0.797 14.238 1.00 0.00 O ATOM 863 CB PHE A 60 7.552 -0.285 15.578 1.00 0.00 C ATOM 864 CG PHE A 60 6.945 0.259 16.839 1.00 0.00 C ATOM 865 CD1 PHE A 60 7.733 0.507 17.952 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.587 0.522 16.913 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.178 1.008 19.114 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.027 1.023 18.073 1.00 0.00 C ATOM 869 CZ PHE A 60 5.823 1.265 19.175 1.00 0.00 C ATOM 0 H PHE A 60 6.528 0.615 13.492 1.00 0.00 H new ATOM 0 HA PHE A 60 8.483 1.637 15.339 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.775 -0.778 14.994 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.287 -1.047 15.838 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.793 0.306 17.910 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.959 0.333 16.055 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.804 1.198 19.974 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.967 1.225 18.117 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.386 1.655 20.083 1.00 0.00 H new ATOM 879 N PRO A 61 9.384 -0.918 13.411 1.00 0.00 N ATOM 880 CA PRO A 61 10.522 -1.578 12.765 1.00 0.00 C ATOM 881 C PRO A 61 11.041 -0.795 11.564 1.00 0.00 C ATOM 882 O PRO A 61 12.112 -1.092 11.033 1.00 0.00 O ATOM 883 CB PRO A 61 9.943 -2.923 12.316 1.00 0.00 C ATOM 884 CG PRO A 61 8.482 -2.675 12.164 1.00 0.00 C ATOM 885 CD PRO A 61 8.125 -1.654 13.208 1.00 0.00 C ATOM 0 HA PRO A 61 11.376 -1.668 13.436 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.388 -3.252 11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.138 -3.703 13.052 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.250 -2.308 11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.913 -3.594 12.306 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.325 -0.996 12.869 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.782 -2.125 14.129 1.00 0.00 H new ATOM 893 N ARG A 62 10.277 0.207 11.142 1.00 0.00 N ATOM 894 CA ARG A 62 10.661 1.033 10.003 1.00 0.00 C ATOM 895 C ARG A 62 11.316 0.187 8.915 1.00 0.00 C ATOM 896 O ARG A 62 12.434 0.470 8.484 1.00 0.00 O ATOM 897 CB ARG A 62 11.617 2.141 10.448 1.00 0.00 C ATOM 898 CG ARG A 62 11.859 3.200 9.386 1.00 0.00 C ATOM 899 CD ARG A 62 10.550 3.760 8.850 1.00 0.00 C ATOM 900 NE ARG A 62 10.698 5.132 8.370 1.00 0.00 N ATOM 901 CZ ARG A 62 10.638 6.198 9.160 1.00 0.00 C ATOM 902 NH1 ARG A 62 10.436 6.051 10.462 1.00 0.00 N ATOM 903 NH2 ARG A 62 10.782 7.413 8.648 1.00 0.00 N ATOM 0 H ARG A 62 9.389 0.467 11.571 1.00 0.00 H new ATOM 0 HA ARG A 62 9.758 1.486 9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.214 2.619 11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.571 1.695 10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.457 4.009 9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.435 2.770 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.191 3.128 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.794 3.730 9.635 1.00 0.00 H new ATOM 0 HE ARG A 62 10.856 5.279 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.326 5.118 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.390 6.871 11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.939 7.529 7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.736 8.231 9.255 1.00 0.00 H new ATOM 917 N ARG A 63 10.613 -0.851 8.475 1.00 0.00 N ATOM 918 CA ARG A 63 11.126 -1.738 7.439 1.00 0.00 C ATOM 919 C ARG A 63 10.242 -1.692 6.196 1.00 0.00 C ATOM 920 O ARG A 63 9.052 -1.997 6.259 1.00 0.00 O ATOM 921 CB ARG A 63 11.213 -3.173 7.963 1.00 0.00 C ATOM 922 CG ARG A 63 12.344 -3.980 7.346 1.00 0.00 C ATOM 923 CD ARG A 63 12.480 -5.343 8.005 1.00 0.00 C ATOM 924 NE ARG A 63 13.758 -5.978 7.692 1.00 0.00 N ATOM 925 CZ ARG A 63 14.914 -5.605 8.228 1.00 0.00 C ATOM 926 NH1 ARG A 63 14.953 -4.607 9.100 1.00 0.00 N ATOM 927 NH2 ARG A 63 16.035 -6.231 7.893 1.00 0.00 N ATOM 0 H ARG A 63 9.686 -1.098 8.820 1.00 0.00 H new ATOM 0 HA ARG A 63 12.125 -1.397 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.344 -3.148 9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.268 -3.680 7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.161 -4.107 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.280 -3.431 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.384 -5.234 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.665 -5.988 7.676 1.00 0.00 H new ATOM 0 HE ARG A 63 13.762 -6.750 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.093 -4.124 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.843 -4.323 9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.009 -7.000 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.922 -5.944 8.305 1.00 0.00 H new ATOM 941 N GLU A 64 10.834 -1.309 5.069 1.00 0.00 N ATOM 942 CA GLU A 64 10.099 -1.222 3.813 1.00 0.00 C ATOM 943 C GLU A 64 9.554 -2.588 3.405 1.00 0.00 C ATOM 944 O GLU A 64 10.309 -3.480 3.017 1.00 0.00 O ATOM 945 CB GLU A 64 11.000 -0.670 2.706 1.00 0.00 C ATOM 946 CG GLU A 64 10.237 -0.191 1.483 1.00 0.00 C ATOM 947 CD GLU A 64 11.151 0.349 0.400 1.00 0.00 C ATOM 948 OE1 GLU A 64 12.279 -0.167 0.263 1.00 0.00 O ATOM 949 OE2 GLU A 64 10.736 1.289 -0.311 1.00 0.00 O ATOM 0 H GLU A 64 11.819 -1.054 5.000 1.00 0.00 H new ATOM 0 HA GLU A 64 9.259 -0.544 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.586 0.158 3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.706 -1.444 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.650 -1.016 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.533 0.586 1.780 1.00 0.00 H new ATOM 956 N PHE A 65 8.237 -2.745 3.498 1.00 0.00 N ATOM 957 CA PHE A 65 7.591 -4.002 3.141 1.00 0.00 C ATOM 958 C PHE A 65 8.138 -4.540 1.822 1.00 0.00 C ATOM 959 O PHE A 65 8.683 -3.792 1.010 1.00 0.00 O ATOM 960 CB PHE A 65 6.076 -3.810 3.036 1.00 0.00 C ATOM 961 CG PHE A 65 5.419 -3.501 4.351 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.152 -4.511 5.261 1.00 0.00 C ATOM 963 CD2 PHE A 65 5.070 -2.201 4.678 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.547 -4.230 6.471 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.465 -1.913 5.887 1.00 0.00 C ATOM 966 CZ PHE A 65 4.204 -2.930 6.786 1.00 0.00 C ATOM 0 H PHE A 65 7.597 -2.018 3.817 1.00 0.00 H new ATOM 0 HA PHE A 65 7.806 -4.727 3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.868 -3.001 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.631 -4.714 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.420 -5.530 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.273 -1.403 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.342 -5.027 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.197 -0.895 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.733 -2.708 7.732 1.00 0.00 H new ATOM 976 N THR A 66 7.989 -5.845 1.614 1.00 0.00 N ATOM 977 CA THR A 66 8.469 -6.485 0.396 1.00 0.00 C ATOM 978 C THR A 66 7.309 -6.989 -0.454 1.00 0.00 C ATOM 979 O THR A 66 6.162 -7.010 -0.007 1.00 0.00 O ATOM 980 CB THR A 66 9.409 -7.664 0.714 1.00 0.00 C ATOM 981 OG1 THR A 66 9.502 -8.535 -0.419 1.00 0.00 O ATOM 982 CG2 THR A 66 8.909 -8.444 1.920 1.00 0.00 C ATOM 0 H THR A 66 7.539 -6.479 2.274 1.00 0.00 H new ATOM 0 HA THR A 66 9.022 -5.729 -0.162 1.00 0.00 H new ATOM 0 HB THR A 66 10.396 -7.262 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.102 -9.281 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.588 -9.271 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.867 -7.785 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.913 -8.835 1.713 1.00 0.00 H new ATOM 990 N ARG A 67 7.614 -7.396 -1.682 1.00 0.00 N ATOM 991 CA ARG A 67 6.596 -7.900 -2.595 1.00 0.00 C ATOM 992 C ARG A 67 5.817 -9.049 -1.961 1.00 0.00 C ATOM 993 O ARG A 67 4.589 -9.092 -2.032 1.00 0.00 O ATOM 994 CB ARG A 67 7.239 -8.367 -3.903 1.00 0.00 C ATOM 995 CG ARG A 67 7.512 -7.238 -4.883 1.00 0.00 C ATOM 996 CD ARG A 67 8.895 -6.641 -4.674 1.00 0.00 C ATOM 997 NE ARG A 67 9.948 -7.646 -4.786 1.00 0.00 N ATOM 998 CZ ARG A 67 11.203 -7.443 -4.399 1.00 0.00 C ATOM 999 NH1 ARG A 67 11.558 -6.277 -3.878 1.00 0.00 N ATOM 1000 NH2 ARG A 67 12.105 -8.407 -4.534 1.00 0.00 N ATOM 0 H ARG A 67 8.558 -7.386 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 67 5.902 -7.087 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.176 -8.875 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.586 -9.099 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.426 -7.612 -5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.757 -6.461 -4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.065 -5.854 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.943 -6.174 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 67 9.707 -8.554 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.867 -5.534 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.522 -6.123 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.835 -9.305 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.068 -8.250 -4.237 1.00 0.00 H new ATOM 1014 N GLU A 68 6.540 -9.976 -1.341 1.00 0.00 N ATOM 1015 CA GLU A 68 5.916 -11.126 -0.696 1.00 0.00 C ATOM 1016 C GLU A 68 4.926 -10.677 0.375 1.00 0.00 C ATOM 1017 O GLU A 68 3.810 -11.189 0.457 1.00 0.00 O ATOM 1018 CB GLU A 68 6.982 -12.030 -0.073 1.00 0.00 C ATOM 1019 CG GLU A 68 7.755 -11.371 1.057 1.00 0.00 C ATOM 1020 CD GLU A 68 9.113 -12.005 1.283 1.00 0.00 C ATOM 1021 OE1 GLU A 68 9.976 -11.895 0.387 1.00 0.00 O ATOM 1022 OE2 GLU A 68 9.313 -12.613 2.356 1.00 0.00 O ATOM 0 H GLU A 68 7.557 -9.954 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 68 5.373 -11.687 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.504 -12.934 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.682 -12.339 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.885 -10.312 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.172 -11.433 1.976 1.00 0.00 H new ATOM 1029 N ASP A 69 5.343 -9.717 1.193 1.00 0.00 N ATOM 1030 CA ASP A 69 4.493 -9.198 2.259 1.00 0.00 C ATOM 1031 C ASP A 69 3.083 -8.924 1.745 1.00 0.00 C ATOM 1032 O ASP A 69 2.098 -9.188 2.435 1.00 0.00 O ATOM 1033 CB ASP A 69 5.095 -7.918 2.841 1.00 0.00 C ATOM 1034 CG ASP A 69 6.335 -8.186 3.670 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.818 -9.337 3.659 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.823 -7.244 4.331 1.00 0.00 O ATOM 0 H ASP A 69 6.264 -9.282 1.139 1.00 0.00 H new ATOM 0 HA ASP A 69 4.434 -9.952 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.345 -7.236 2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.349 -7.418 3.459 1.00 0.00 H new ATOM 1041 N TYR A 70 2.994 -8.394 0.531 1.00 0.00 N ATOM 1042 CA TYR A 70 1.705 -8.081 -0.074 1.00 0.00 C ATOM 1043 C TYR A 70 0.945 -9.357 -0.426 1.00 0.00 C ATOM 1044 O TYR A 70 -0.286 -9.372 -0.458 1.00 0.00 O ATOM 1045 CB TYR A 70 1.900 -7.228 -1.329 1.00 0.00 C ATOM 1046 CG TYR A 70 2.291 -5.797 -1.033 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.491 -4.990 -0.233 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.458 -5.253 -1.554 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.844 -3.682 0.039 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.819 -3.947 -1.285 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.009 -3.166 -0.489 1.00 0.00 C ATOM 1052 OH TYR A 70 3.365 -1.864 -0.220 1.00 0.00 O ATOM 0 H TYR A 70 3.799 -8.172 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 70 1.119 -7.518 0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.669 -7.684 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.976 -7.231 -1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.579 -5.392 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.094 -5.861 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.211 -3.067 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.731 -3.540 -1.696 1.00 0.00 H new ATOM 0 HH TYR A 70 4.213 -1.658 -0.667 1.00 0.00 H new ATOM 1062 N LYS A 71 1.687 -10.426 -0.690 1.00 0.00 N ATOM 1063 CA LYS A 71 1.087 -11.708 -1.038 1.00 0.00 C ATOM 1064 C LYS A 71 0.530 -12.402 0.201 1.00 0.00 C ATOM 1065 O LYS A 71 -0.372 -13.235 0.105 1.00 0.00 O ATOM 1066 CB LYS A 71 2.118 -12.610 -1.720 1.00 0.00 C ATOM 1067 CG LYS A 71 2.789 -11.966 -2.921 1.00 0.00 C ATOM 1068 CD LYS A 71 1.949 -12.121 -4.178 1.00 0.00 C ATOM 1069 CE LYS A 71 2.270 -13.417 -4.907 1.00 0.00 C ATOM 1070 NZ LYS A 71 3.361 -13.237 -5.905 1.00 0.00 N ATOM 0 H LYS A 71 2.707 -10.430 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 71 0.265 -11.520 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.882 -12.889 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.629 -13.531 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.956 -10.907 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.768 -12.419 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.891 -12.103 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.127 -11.275 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.562 -14.178 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.375 -13.782 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.550 -14.143 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.073 -12.529 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.223 -12.913 -5.422 1.00 0.00 H new ATOM 1084 N ARG A 72 1.071 -12.053 1.363 1.00 0.00 N ATOM 1085 CA ARG A 72 0.627 -12.642 2.621 1.00 0.00 C ATOM 1086 C ARG A 72 -0.573 -11.886 3.182 1.00 0.00 C ATOM 1087 O ARG A 72 -0.841 -10.749 2.792 1.00 0.00 O ATOM 1088 CB ARG A 72 1.768 -12.639 3.640 1.00 0.00 C ATOM 1089 CG ARG A 72 3.048 -13.275 3.124 1.00 0.00 C ATOM 1090 CD ARG A 72 4.242 -12.904 3.990 1.00 0.00 C ATOM 1091 NE ARG A 72 4.357 -13.766 5.163 1.00 0.00 N ATOM 1092 CZ ARG A 72 5.365 -13.703 6.025 1.00 0.00 C ATOM 1093 NH1 ARG A 72 6.340 -12.823 5.847 1.00 0.00 N ATOM 1094 NH2 ARG A 72 5.399 -14.522 7.069 1.00 0.00 N ATOM 0 H ARG A 72 1.818 -11.365 1.460 1.00 0.00 H new ATOM 0 HA ARG A 72 0.326 -13.671 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.977 -11.611 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.445 -13.169 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.935 -14.359 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.227 -12.954 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.155 -12.974 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.149 -11.866 4.311 1.00 0.00 H new ATOM 0 HE ARG A 72 3.623 -14.454 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.317 -12.192 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.113 -12.777 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.650 -15.200 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.174 -14.473 7.731 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.293 -12.526 4.098 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.466 -11.914 4.711 1.00 0.00 C ATOM 1110 C ARG A 73 -2.058 -10.930 5.803 1.00 0.00 C ATOM 1111 O ARG A 73 -1.011 -11.084 6.433 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.382 -12.991 5.296 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.666 -14.136 4.338 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.995 -14.806 4.649 1.00 0.00 C ATOM 1115 NE ARG A 73 -5.433 -15.683 3.566 1.00 0.00 N ATOM 1116 CZ ARG A 73 -6.261 -16.707 3.738 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -6.740 -16.981 4.944 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -6.613 -17.459 2.703 1.00 0.00 N ATOM 0 H ARG A 73 -1.085 -13.467 4.432 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.006 -11.368 3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.926 -13.391 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.326 -12.532 5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.677 -13.761 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.863 -14.871 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.903 -15.384 5.569 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.753 -14.043 4.826 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.084 -15.499 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.473 -16.405 5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.376 -17.768 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.248 -17.251 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.249 -18.245 2.837 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.891 -9.918 6.021 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.617 -8.907 7.036 1.00 0.00 C ATOM 1134 C LEU A 74 -2.288 -9.557 8.377 1.00 0.00 C ATOM 1135 O LEU A 74 -1.172 -9.430 8.883 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.818 -7.972 7.191 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.886 -6.800 6.212 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.304 -6.255 6.129 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.915 -5.703 6.625 1.00 0.00 C ATOM 0 H LEU A 74 -3.761 -9.776 5.509 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.753 -8.327 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.728 -8.562 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.814 -7.573 8.205 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.598 -7.160 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.333 -5.421 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.977 -7.041 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.620 -5.911 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.977 -4.877 5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.172 -5.346 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.900 -6.099 6.632 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.265 -10.254 8.946 1.00 0.00 N ATOM 1152 CA LEU A 75 -3.079 -10.926 10.227 1.00 0.00 C ATOM 1153 C LEU A 75 -1.761 -11.694 10.253 1.00 0.00 C ATOM 1154 O LEU A 75 -1.161 -11.881 11.312 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.244 -11.881 10.498 1.00 0.00 C ATOM 1156 CG LEU A 75 -4.100 -13.293 9.930 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.227 -14.185 10.427 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -4.079 -13.256 8.409 1.00 0.00 C ATOM 0 H LEU A 75 -4.194 -10.369 8.541 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.051 -10.166 11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.382 -11.957 11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.153 -11.438 10.091 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.154 -13.709 10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.108 -15.186 10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.197 -14.237 11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.185 -13.772 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.976 -14.270 8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.009 -12.820 8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.237 -12.651 8.071 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.316 -12.134 9.082 1.00 0.00 N ATOM 1171 CA ASP A 76 -0.067 -12.878 8.969 1.00 0.00 C ATOM 1172 C ASP A 76 1.127 -11.989 9.299 1.00 0.00 C ATOM 1173 O ASP A 76 2.070 -12.419 9.966 1.00 0.00 O ATOM 1174 CB ASP A 76 0.084 -13.454 7.560 1.00 0.00 C ATOM 1175 CG ASP A 76 0.880 -14.744 7.543 1.00 0.00 C ATOM 1176 OD1 ASP A 76 1.959 -14.782 8.170 1.00 0.00 O ATOM 1177 OD2 ASP A 76 0.425 -15.714 6.902 1.00 0.00 O ATOM 0 H ASP A 76 -1.802 -11.988 8.197 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.096 -13.698 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.904 -13.635 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.575 -12.720 6.921 1.00 0.00 H new ATOM 1182 N LEU A 77 1.082 -10.748 8.828 1.00 0.00 N ATOM 1183 CA LEU A 77 2.161 -9.797 9.072 1.00 0.00 C ATOM 1184 C LEU A 77 1.993 -9.118 10.428 1.00 0.00 C ATOM 1185 O LEU A 77 2.563 -8.056 10.675 1.00 0.00 O ATOM 1186 CB LEU A 77 2.200 -8.744 7.963 1.00 0.00 C ATOM 1187 CG LEU A 77 2.470 -9.265 6.551 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.793 -8.381 5.517 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.967 -9.345 6.290 1.00 0.00 C ATOM 0 H LEU A 77 0.310 -10.376 8.275 1.00 0.00 H new ATOM 0 HA LEU A 77 3.102 -10.347 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.247 -8.216 7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.968 -8.012 8.212 1.00 0.00 H new ATOM 0 HG LEU A 77 2.053 -10.269 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.997 -8.768 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.717 -8.375 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.179 -7.365 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.141 -9.718 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.408 -8.353 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.426 -10.022 7.011 1.00 0.00 H new ATOM 1201 N GLU A 78 1.208 -9.740 11.302 1.00 0.00 N ATOM 1202 CA GLU A 78 0.966 -9.196 12.633 1.00 0.00 C ATOM 1203 C GLU A 78 0.189 -7.885 12.552 1.00 0.00 C ATOM 1204 O GLU A 78 0.432 -6.957 13.325 1.00 0.00 O ATOM 1205 CB GLU A 78 2.291 -8.972 13.365 1.00 0.00 C ATOM 1206 CG GLU A 78 3.188 -10.198 13.387 1.00 0.00 C ATOM 1207 CD GLU A 78 4.638 -9.854 13.667 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.116 -8.826 13.144 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.296 -10.613 14.410 1.00 0.00 O ATOM 0 H GLU A 78 0.729 -10.620 11.112 1.00 0.00 H new ATOM 0 HA GLU A 78 0.369 -9.918 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.825 -8.150 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.083 -8.666 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.830 -10.892 14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.119 -10.712 12.428 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.745 -7.815 11.610 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.558 -6.618 11.426 1.00 0.00 C ATOM 1218 C LEU A 79 -3.026 -6.906 11.723 1.00 0.00 C ATOM 1219 O LEU A 79 -3.910 -6.144 11.331 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.408 -6.090 9.999 1.00 0.00 C ATOM 1221 CG LEU A 79 0.024 -5.943 9.484 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.026 -5.502 8.029 1.00 0.00 C ATOM 1223 CD2 LEU A 79 0.801 -4.955 10.343 1.00 0.00 C ATOM 0 H LEU A 79 -0.958 -8.573 10.962 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.207 -5.859 12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.947 -6.758 9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.896 -5.117 9.940 1.00 0.00 H new ATOM 0 HG LEU A 79 0.514 -6.915 9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.054 -5.403 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.493 -6.245 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.482 -4.542 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.818 -4.863 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.312 -3.981 10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.830 -5.312 11.372 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.279 -8.009 12.419 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.639 -8.395 12.772 1.00 0.00 C ATOM 1237 C ALA A 80 -5.294 -7.347 13.665 1.00 0.00 C ATOM 1238 O ALA A 80 -6.332 -6.774 13.333 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.641 -9.753 13.460 1.00 0.00 C ATOM 0 H ALA A 80 -2.559 -8.651 12.750 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.220 -8.465 11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.664 -10.029 13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.222 -10.502 12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.039 -9.702 14.367 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.674 -7.087 14.826 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.180 -6.106 15.791 1.00 0.00 C ATOM 1247 C PRO A 81 -5.044 -4.674 15.286 1.00 0.00 C ATOM 1248 O PRO A 81 -5.941 -4.150 14.626 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.292 -6.327 17.019 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.031 -6.904 16.476 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.433 -7.732 15.286 1.00 0.00 C ATOM 0 HA PRO A 81 -6.244 -6.238 15.988 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.105 -5.391 17.545 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.763 -7.005 17.731 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.335 -6.117 16.186 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.527 -7.516 17.225 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.665 -7.724 14.513 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.599 -8.774 15.559 1.00 0.00 H new ATOM 1259 N SER A 82 -3.916 -4.045 15.600 1.00 0.00 N ATOM 1260 CA SER A 82 -3.664 -2.671 15.180 1.00 0.00 C ATOM 1261 C SER A 82 -2.417 -2.590 14.305 1.00 0.00 C ATOM 1262 O SER A 82 -1.430 -3.284 14.546 1.00 0.00 O ATOM 1263 CB SER A 82 -3.503 -1.764 16.402 1.00 0.00 C ATOM 1264 OG SER A 82 -2.544 -2.289 17.304 1.00 0.00 O ATOM 0 H SER A 82 -3.162 -4.465 16.144 1.00 0.00 H new ATOM 0 HA SER A 82 -4.519 -2.333 14.595 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.198 -0.768 16.082 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.462 -1.657 16.908 1.00 0.00 H new ATOM 0 HG SER A 82 -2.458 -1.690 18.075 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.471 -1.738 13.286 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.347 -1.564 12.375 1.00 0.00 C ATOM 1272 C ALA A 83 -1.249 -0.120 11.894 1.00 0.00 C ATOM 1273 O ALA A 83 -2.263 0.549 11.699 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.476 -2.510 11.191 1.00 0.00 C ATOM 0 H ALA A 83 -3.282 -1.158 13.071 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.432 -1.801 12.917 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.630 -2.369 10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.488 -3.540 11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.403 -2.300 10.657 1.00 0.00 H new ATOM 1280 N SER A 84 -0.022 0.354 11.704 1.00 0.00 N ATOM 1281 CA SER A 84 0.209 1.720 11.249 1.00 0.00 C ATOM 1282 C SER A 84 1.165 1.743 10.061 1.00 0.00 C ATOM 1283 O SER A 84 2.380 1.634 10.225 1.00 0.00 O ATOM 1284 CB SER A 84 0.772 2.571 12.389 1.00 0.00 C ATOM 1285 OG SER A 84 -0.026 2.457 13.554 1.00 0.00 O ATOM 0 H SER A 84 0.828 -0.188 11.858 1.00 0.00 H new ATOM 0 HA SER A 84 -0.746 2.137 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.792 2.257 12.611 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.820 3.615 12.078 1.00 0.00 H new ATOM 0 HG SER A 84 0.356 3.009 14.268 1.00 0.00 H new ATOM 1291 N VAL A 85 0.607 1.886 8.863 1.00 0.00 N ATOM 1292 CA VAL A 85 1.408 1.925 7.646 1.00 0.00 C ATOM 1293 C VAL A 85 1.613 3.358 7.168 1.00 0.00 C ATOM 1294 O VAL A 85 0.660 4.043 6.798 1.00 0.00 O ATOM 1295 CB VAL A 85 0.753 1.108 6.516 1.00 0.00 C ATOM 1296 CG1 VAL A 85 0.999 -0.379 6.721 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.737 1.405 6.440 1.00 0.00 C ATOM 0 H VAL A 85 -0.397 1.977 8.710 1.00 0.00 H new ATOM 0 HA VAL A 85 2.375 1.484 7.890 1.00 0.00 H new ATOM 0 HB VAL A 85 1.207 1.400 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.529 -0.940 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.071 -0.574 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.573 -0.690 7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.184 0.820 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.209 1.142 7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.887 2.466 6.242 1.00 0.00 H new ATOM 1307 N VAL A 86 2.865 3.806 7.179 1.00 0.00 N ATOM 1308 CA VAL A 86 3.197 5.158 6.746 1.00 0.00 C ATOM 1309 C VAL A 86 3.274 5.244 5.226 1.00 0.00 C ATOM 1310 O VAL A 86 3.953 4.444 4.581 1.00 0.00 O ATOM 1311 CB VAL A 86 4.536 5.627 7.345 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.315 6.280 8.701 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.506 4.461 7.457 1.00 0.00 C ATOM 0 H VAL A 86 3.666 3.252 7.483 1.00 0.00 H new ATOM 0 HA VAL A 86 2.400 5.810 7.104 1.00 0.00 H new ATOM 0 HB VAL A 86 4.972 6.370 6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.272 6.605 9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.658 7.142 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.856 5.562 9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.447 4.810 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.079 3.693 8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.688 4.043 6.467 1.00 0.00 H new ATOM 1323 N LEU A 87 2.575 6.221 4.658 1.00 0.00 N ATOM 1324 CA LEU A 87 2.565 6.413 3.211 1.00 0.00 C ATOM 1325 C LEU A 87 3.753 7.260 2.766 1.00 0.00 C ATOM 1326 O LEU A 87 3.899 8.411 3.181 1.00 0.00 O ATOM 1327 CB LEU A 87 1.258 7.077 2.775 1.00 0.00 C ATOM 1328 CG LEU A 87 1.038 7.198 1.266 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.446 7.141 0.937 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.653 8.486 0.739 1.00 0.00 C ATOM 0 H LEU A 87 2.008 6.892 5.176 1.00 0.00 H new ATOM 0 HA LEU A 87 2.644 5.434 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.428 6.512 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.219 8.076 3.209 1.00 0.00 H new ATOM 0 HG LEU A 87 1.531 6.357 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.583 7.229 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.858 6.192 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.961 7.962 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.487 8.555 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.189 9.340 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.724 8.487 0.941 1.00 0.00 H new ATOM 1342 N LEU A 88 4.598 6.685 1.918 1.00 0.00 N ATOM 1343 CA LEU A 88 5.773 7.388 1.414 1.00 0.00 C ATOM 1344 C LEU A 88 5.544 7.878 -0.012 1.00 0.00 C ATOM 1345 O LEU A 88 5.434 7.093 -0.955 1.00 0.00 O ATOM 1346 CB LEU A 88 6.998 6.473 1.460 1.00 0.00 C ATOM 1347 CG LEU A 88 7.426 5.995 2.848 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.322 4.771 2.739 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.136 7.112 3.601 1.00 0.00 C ATOM 0 H LEU A 88 4.492 5.734 1.565 1.00 0.00 H new ATOM 0 HA LEU A 88 5.949 8.254 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.796 5.598 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.837 6.999 1.004 1.00 0.00 H new ATOM 0 HG LEU A 88 6.532 5.717 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.616 4.446 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.781 3.967 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.212 5.022 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.434 6.754 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.021 7.421 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.462 7.962 3.712 1.00 0.00 H new ATOM 1361 N PRO A 89 5.471 9.207 -0.177 1.00 0.00 N ATOM 1362 CA PRO A 89 5.257 9.831 -1.486 1.00 0.00 C ATOM 1363 C PRO A 89 6.467 9.685 -2.403 1.00 0.00 C ATOM 1364 O PRO A 89 7.609 9.697 -1.945 1.00 0.00 O ATOM 1365 CB PRO A 89 5.022 11.304 -1.142 1.00 0.00 C ATOM 1366 CG PRO A 89 5.717 11.505 0.160 1.00 0.00 C ATOM 1367 CD PRO A 89 5.592 10.202 0.901 1.00 0.00 C ATOM 0 HA PRO A 89 4.432 9.368 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.427 11.960 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.958 11.527 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.764 11.768 0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.262 12.320 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.463 10.011 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.720 10.194 1.555 1.00 0.00 H new ATOM 1375 N ALA A 90 6.208 9.549 -3.699 1.00 0.00 N ATOM 1376 CA ALA A 90 7.277 9.403 -4.680 1.00 0.00 C ATOM 1377 C ALA A 90 7.630 10.746 -5.311 1.00 0.00 C ATOM 1378 O ALA A 90 8.803 11.087 -5.452 1.00 0.00 O ATOM 1379 CB ALA A 90 6.875 8.402 -5.754 1.00 0.00 C ATOM 0 H ALA A 90 5.268 9.537 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 90 8.162 9.030 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.682 8.303 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.680 7.433 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.974 8.752 -6.259 1.00 0.00 H new ATOM 1385 N GLY A 91 6.605 11.504 -5.690 1.00 0.00 N ATOM 1386 CA GLY A 91 6.829 12.800 -6.303 1.00 0.00 C ATOM 1387 C GLY A 91 6.544 12.795 -7.792 1.00 0.00 C ATOM 1388 O GLY A 91 7.467 12.769 -8.606 1.00 0.00 O ATOM 0 H GLY A 91 5.625 11.244 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.195 13.542 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.862 13.104 -6.135 1.00 0.00 H new ATOM 1392 N ARG A 92 5.264 12.817 -8.148 1.00 0.00 N ATOM 1393 CA ARG A 92 4.861 12.812 -9.549 1.00 0.00 C ATOM 1394 C ARG A 92 5.807 11.953 -10.384 1.00 0.00 C ATOM 1395 O ARG A 92 6.380 12.403 -11.377 1.00 0.00 O ATOM 1396 CB ARG A 92 4.832 14.239 -10.099 1.00 0.00 C ATOM 1397 CG ARG A 92 3.487 14.927 -9.936 1.00 0.00 C ATOM 1398 CD ARG A 92 2.436 14.322 -10.853 1.00 0.00 C ATOM 1399 NE ARG A 92 2.711 14.602 -12.260 1.00 0.00 N ATOM 1400 CZ ARG A 92 2.349 15.724 -12.871 1.00 0.00 C ATOM 1401 NH1 ARG A 92 1.700 16.667 -12.201 1.00 0.00 N ATOM 1402 NH2 ARG A 92 2.636 15.905 -14.154 1.00 0.00 N ATOM 0 H ARG A 92 4.488 12.838 -7.486 1.00 0.00 H new ATOM 0 HA ARG A 92 3.860 12.386 -9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.596 14.830 -9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.094 14.217 -11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.158 14.844 -8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.592 15.990 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.398 13.244 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.455 14.717 -10.590 1.00 0.00 H new ATOM 0 HE ARG A 92 3.209 13.897 -12.803 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.478 16.531 -11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.423 17.528 -12.672 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.135 15.182 -14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.357 16.767 -14.622 1.00 0.00 H new ATOM 1416 N PRO A 93 5.977 10.688 -9.972 1.00 0.00 N ATOM 1417 CA PRO A 93 6.853 9.740 -10.668 1.00 0.00 C ATOM 1418 C PRO A 93 6.297 9.327 -12.027 1.00 0.00 C ATOM 1419 O PRO A 93 5.139 9.597 -12.342 1.00 0.00 O ATOM 1420 CB PRO A 93 6.897 8.538 -9.721 1.00 0.00 C ATOM 1421 CG PRO A 93 5.627 8.619 -8.946 1.00 0.00 C ATOM 1422 CD PRO A 93 5.326 10.085 -8.797 1.00 0.00 C ATOM 0 HA PRO A 93 7.832 10.170 -10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.964 7.601 -10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.765 8.583 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.819 8.106 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.733 8.141 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.253 10.276 -8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.727 10.485 -7.866 1.00 0.00 H new ATOM 1430 N ALA A 94 7.131 8.672 -12.827 1.00 0.00 N ATOM 1431 CA ALA A 94 6.723 8.220 -14.151 1.00 0.00 C ATOM 1432 C ALA A 94 6.230 6.777 -14.111 1.00 0.00 C ATOM 1433 O ALA A 94 6.986 5.860 -13.791 1.00 0.00 O ATOM 1434 CB ALA A 94 7.875 8.358 -15.135 1.00 0.00 C ATOM 0 H ALA A 94 8.094 8.442 -12.581 1.00 0.00 H new ATOM 0 HA ALA A 94 5.898 8.850 -14.484 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.555 8.017 -16.120 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.180 9.403 -15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.717 7.753 -14.797 1.00 0.00 H new ATOM 1440 N THR A 95 4.955 6.583 -14.436 1.00 0.00 N ATOM 1441 CA THR A 95 4.360 5.253 -14.435 1.00 0.00 C ATOM 1442 C THR A 95 3.385 5.085 -15.595 1.00 0.00 C ATOM 1443 O THR A 95 2.620 5.996 -15.911 1.00 0.00 O ATOM 1444 CB THR A 95 3.622 4.968 -13.114 1.00 0.00 C ATOM 1445 OG1 THR A 95 3.124 3.626 -13.110 1.00 0.00 O ATOM 1446 CG2 THR A 95 2.470 5.943 -12.917 1.00 0.00 C ATOM 0 H THR A 95 4.315 7.331 -14.703 1.00 0.00 H new ATOM 0 HA THR A 95 5.178 4.542 -14.546 1.00 0.00 H new ATOM 0 HB THR A 95 4.329 5.094 -12.294 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.408 3.545 -12.445 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.963 5.722 -11.977 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.856 6.962 -12.891 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.764 5.844 -13.742 1.00 0.00 H new ATOM 1454 N SER A 96 3.419 3.916 -16.226 1.00 0.00 N ATOM 1455 CA SER A 96 2.539 3.631 -17.354 1.00 0.00 C ATOM 1456 C SER A 96 1.100 3.436 -16.885 1.00 0.00 C ATOM 1457 O SER A 96 0.856 2.974 -15.770 1.00 0.00 O ATOM 1458 CB SER A 96 3.018 2.383 -18.098 1.00 0.00 C ATOM 1459 OG SER A 96 2.727 1.207 -17.362 1.00 0.00 O ATOM 0 H SER A 96 4.046 3.151 -15.976 1.00 0.00 H new ATOM 0 HA SER A 96 2.569 4.484 -18.032 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.538 2.332 -19.075 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.092 2.450 -18.273 1.00 0.00 H new ATOM 0 HG SER A 96 3.041 0.423 -17.860 1.00 0.00 H new ATOM 1465 N ILE A 97 0.152 3.792 -17.745 1.00 0.00 N ATOM 1466 CA ILE A 97 -1.263 3.657 -17.420 1.00 0.00 C ATOM 1467 C ILE A 97 -1.704 2.198 -17.484 1.00 0.00 C ATOM 1468 O ILE A 97 -0.951 1.329 -17.924 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.141 4.489 -18.372 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.908 4.060 -19.822 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -1.851 5.973 -18.200 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -2.835 2.957 -20.282 1.00 0.00 C ATOM 0 H ILE A 97 0.338 4.176 -18.672 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.391 4.029 -16.403 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.188 4.312 -18.124 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.034 4.925 -20.473 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.876 3.726 -19.932 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.480 6.548 -18.880 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.063 6.268 -17.172 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.802 6.167 -18.424 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.613 2.704 -21.319 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.692 2.077 -19.655 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.869 3.294 -20.204 1.00 0.00 H new ATOM 1484 N VAL A 98 -2.930 1.937 -17.043 1.00 0.00 N ATOM 1485 CA VAL A 98 -3.474 0.584 -17.053 1.00 0.00 C ATOM 1486 C VAL A 98 -4.966 0.593 -17.367 1.00 0.00 C ATOM 1487 O VAL A 98 -5.703 1.465 -16.905 1.00 0.00 O ATOM 1488 CB VAL A 98 -3.249 -0.121 -15.702 1.00 0.00 C ATOM 1489 CG1 VAL A 98 -4.054 0.558 -14.605 1.00 0.00 C ATOM 1490 CG2 VAL A 98 -3.610 -1.595 -15.805 1.00 0.00 C ATOM 0 H VAL A 98 -3.566 2.644 -16.674 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.945 0.036 -17.833 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.193 -0.046 -15.444 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.882 0.046 -13.658 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.743 1.599 -14.517 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.115 0.516 -14.853 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.445 -2.078 -14.842 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.658 -1.694 -16.086 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.985 -2.071 -16.561 1.00 0.00 H new ATOM 1500 N HIS A 99 -5.406 -0.383 -18.155 1.00 0.00 N ATOM 1501 CA HIS A 99 -6.811 -0.488 -18.530 1.00 0.00 C ATOM 1502 C HIS A 99 -7.153 -1.910 -18.963 1.00 0.00 C ATOM 1503 O HIS A 99 -6.370 -2.566 -19.651 1.00 0.00 O ATOM 1504 CB HIS A 99 -7.134 0.492 -19.659 1.00 0.00 C ATOM 1505 CG HIS A 99 -6.630 0.051 -20.998 1.00 0.00 C ATOM 1506 ND1 HIS A 99 -7.380 -0.707 -21.872 1.00 0.00 N ATOM 1507 CD2 HIS A 99 -5.444 0.267 -21.613 1.00 0.00 C ATOM 1508 CE1 HIS A 99 -6.676 -0.940 -22.965 1.00 0.00 C ATOM 1509 NE2 HIS A 99 -5.497 -0.359 -22.833 1.00 0.00 N ATOM 0 H HIS A 99 -4.810 -1.112 -18.546 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.414 -0.237 -17.657 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.214 0.627 -19.713 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.702 1.464 -19.420 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.610 0.828 -21.217 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.008 -1.509 -23.821 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.748 -0.373 -23.525 1.00 0.00 H new ATOM 1518 N SER A 100 -8.327 -2.382 -18.554 1.00 0.00 N ATOM 1519 CA SER A 100 -8.770 -3.728 -18.896 1.00 0.00 C ATOM 1520 C SER A 100 -10.107 -3.690 -19.630 1.00 0.00 C ATOM 1521 O SER A 100 -10.934 -2.810 -19.393 1.00 0.00 O ATOM 1522 CB SER A 100 -8.894 -4.583 -17.633 1.00 0.00 C ATOM 1523 OG SER A 100 -7.617 -4.927 -17.123 1.00 0.00 O ATOM 0 H SER A 100 -8.988 -1.852 -17.986 1.00 0.00 H new ATOM 0 HA SER A 100 -8.025 -4.172 -19.556 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.457 -4.038 -16.875 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.456 -5.490 -17.857 1.00 0.00 H new ATOM 0 HG SER A 100 -7.723 -5.472 -16.315 1.00 0.00 H new ATOM 1529 N SER A 101 -10.311 -4.652 -20.525 1.00 0.00 N ATOM 1530 CA SER A 101 -11.545 -4.728 -21.298 1.00 0.00 C ATOM 1531 C SER A 101 -12.544 -5.672 -20.637 1.00 0.00 C ATOM 1532 O SER A 101 -13.201 -6.468 -21.307 1.00 0.00 O ATOM 1533 CB SER A 101 -11.250 -5.197 -22.724 1.00 0.00 C ATOM 1534 OG SER A 101 -10.361 -4.309 -23.380 1.00 0.00 O ATOM 0 H SER A 101 -9.637 -5.389 -20.732 1.00 0.00 H new ATOM 0 HA SER A 101 -11.984 -3.731 -21.334 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.817 -6.197 -22.699 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.181 -5.267 -23.287 1.00 0.00 H new ATOM 0 HG SER A 101 -10.187 -4.632 -24.289 1.00 0.00 H new ATOM 1540 N SER A 102 -12.652 -5.577 -19.315 1.00 0.00 N ATOM 1541 CA SER A 102 -13.568 -6.425 -18.560 1.00 0.00 C ATOM 1542 C SER A 102 -13.658 -5.968 -17.108 1.00 0.00 C ATOM 1543 O SER A 102 -12.691 -5.458 -16.544 1.00 0.00 O ATOM 1544 CB SER A 102 -13.112 -7.884 -18.621 1.00 0.00 C ATOM 1545 OG SER A 102 -14.209 -8.767 -18.466 1.00 0.00 O ATOM 0 H SER A 102 -12.117 -4.922 -18.745 1.00 0.00 H new ATOM 0 HA SER A 102 -14.557 -6.342 -19.010 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.619 -8.075 -19.574 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.377 -8.072 -17.839 1.00 0.00 H new ATOM 0 HG SER A 102 -13.892 -9.693 -18.510 1.00 0.00 H new ATOM 1551 N GLY A 103 -14.829 -6.156 -16.506 1.00 0.00 N ATOM 1552 CA GLY A 103 -15.026 -5.758 -15.125 1.00 0.00 C ATOM 1553 C GLY A 103 -16.492 -5.608 -14.768 1.00 0.00 C ATOM 1554 O GLY A 103 -16.920 -4.549 -14.309 1.00 0.00 O ATOM 0 H GLY A 103 -15.645 -6.577 -16.951 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.569 -6.498 -14.468 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.513 -4.813 -14.946 1.00 0.00 H new ATOM 1558 N ASP A 104 -17.262 -6.670 -14.979 1.00 0.00 N ATOM 1559 CA ASP A 104 -18.688 -6.651 -14.677 1.00 0.00 C ATOM 1560 C ASP A 104 -19.204 -8.061 -14.404 1.00 0.00 C ATOM 1561 O ASP A 104 -19.110 -8.943 -15.259 1.00 0.00 O ATOM 1562 CB ASP A 104 -19.468 -6.024 -15.833 1.00 0.00 C ATOM 1563 CG ASP A 104 -19.259 -4.526 -15.928 1.00 0.00 C ATOM 1564 OD1 ASP A 104 -19.713 -3.805 -15.015 1.00 0.00 O ATOM 1565 OD2 ASP A 104 -18.641 -4.074 -16.915 1.00 0.00 O ATOM 0 H ASP A 104 -16.923 -7.554 -15.358 1.00 0.00 H new ATOM 0 HA ASP A 104 -18.837 -6.049 -13.781 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -19.162 -6.491 -16.769 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.530 -6.232 -15.706 1.00 0.00 H new ATOM 1570 N ILE A 105 -19.748 -8.266 -13.210 1.00 0.00 N ATOM 1571 CA ILE A 105 -20.279 -9.568 -12.825 1.00 0.00 C ATOM 1572 C ILE A 105 -21.793 -9.616 -12.995 1.00 0.00 C ATOM 1573 O ILE A 105 -22.494 -8.647 -12.697 1.00 0.00 O ATOM 1574 CB ILE A 105 -19.925 -9.911 -11.366 1.00 0.00 C ATOM 1575 CG1 ILE A 105 -20.435 -8.818 -10.424 1.00 0.00 C ATOM 1576 CG2 ILE A 105 -18.422 -10.091 -11.213 1.00 0.00 C ATOM 1577 CD1 ILE A 105 -20.763 -9.322 -9.036 1.00 0.00 C ATOM 0 H ILE A 105 -19.833 -7.547 -12.492 1.00 0.00 H new ATOM 0 HA ILE A 105 -19.819 -10.304 -13.484 1.00 0.00 H new ATOM 0 HB ILE A 105 -20.412 -10.849 -11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -19.682 -8.034 -10.349 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -21.326 -8.363 -10.857 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -18.188 -10.333 -10.176 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -18.085 -10.901 -11.860 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -17.915 -9.168 -11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -21.118 -8.494 -8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -21.539 -10.085 -9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -19.869 -9.751 -8.584 1.00 0.00 H new ATOM 1589 N LEU A 106 -22.294 -10.750 -13.472 1.00 0.00 N ATOM 1590 CA LEU A 106 -23.727 -10.927 -13.680 1.00 0.00 C ATOM 1591 C LEU A 106 -24.169 -12.325 -13.260 1.00 0.00 C ATOM 1592 O LEU A 106 -23.874 -13.309 -13.937 1.00 0.00 O ATOM 1593 CB LEU A 106 -24.083 -10.686 -15.148 1.00 0.00 C ATOM 1594 CG LEU A 106 -25.451 -11.198 -15.599 1.00 0.00 C ATOM 1595 CD1 LEU A 106 -26.558 -10.292 -15.082 1.00 0.00 C ATOM 1596 CD2 LEU A 106 -25.508 -11.301 -17.116 1.00 0.00 C ATOM 0 H LEU A 106 -21.729 -11.561 -13.722 1.00 0.00 H new ATOM 0 HA LEU A 106 -24.252 -10.199 -13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -24.037 -9.614 -15.341 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -23.319 -11.155 -15.768 1.00 0.00 H new ATOM 0 HG LEU A 106 -25.601 -12.194 -15.181 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -27.524 -10.673 -15.413 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -26.531 -10.270 -13.993 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -26.413 -9.283 -15.469 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -26.489 -11.667 -17.419 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -25.336 -10.318 -17.554 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -24.740 -11.992 -17.463 1.00 0.00 H new ATOM 1608 N MET A 107 -24.881 -12.403 -12.140 1.00 0.00 N ATOM 1609 CA MET A 107 -25.367 -13.681 -11.632 1.00 0.00 C ATOM 1610 C MET A 107 -26.678 -13.500 -10.873 1.00 0.00 C ATOM 1611 O MET A 107 -26.836 -12.549 -10.107 1.00 0.00 O ATOM 1612 CB MET A 107 -24.321 -14.323 -10.720 1.00 0.00 C ATOM 1613 CG MET A 107 -23.346 -15.228 -11.456 1.00 0.00 C ATOM 1614 SD MET A 107 -23.933 -16.929 -11.575 1.00 0.00 S ATOM 1615 CE MET A 107 -25.093 -16.794 -12.932 1.00 0.00 C ATOM 0 H MET A 107 -25.134 -11.597 -11.568 1.00 0.00 H new ATOM 0 HA MET A 107 -25.547 -14.337 -12.483 1.00 0.00 H new ATOM 0 HB2 MET A 107 -23.762 -13.537 -10.212 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.829 -14.901 -9.949 1.00 0.00 H new ATOM 0 HG2 MET A 107 -23.177 -14.835 -12.459 1.00 0.00 H new ATOM 0 HG3 MET A 107 -22.385 -15.214 -10.942 1.00 0.00 H new ATOM 0 HE1 MET A 107 -25.202 -17.765 -13.415 1.00 0.00 H new ATOM 0 HE2 MET A 107 -26.061 -16.467 -12.552 1.00 0.00 H new ATOM 0 HE3 MET A 107 -24.723 -16.068 -13.656 1.00 0.00 H new ATOM 1625 N ILE A 108 -27.614 -14.418 -11.090 1.00 0.00 N ATOM 1626 CA ILE A 108 -28.910 -14.359 -10.426 1.00 0.00 C ATOM 1627 C ILE A 108 -29.295 -15.718 -9.851 1.00 0.00 C ATOM 1628 O ILE A 108 -29.187 -16.742 -10.527 1.00 0.00 O ATOM 1629 CB ILE A 108 -30.016 -13.889 -11.389 1.00 0.00 C ATOM 1630 CG1 ILE A 108 -29.643 -12.542 -12.010 1.00 0.00 C ATOM 1631 CG2 ILE A 108 -31.347 -13.791 -10.659 1.00 0.00 C ATOM 1632 CD1 ILE A 108 -30.401 -12.232 -13.282 1.00 0.00 C ATOM 0 H ILE A 108 -27.499 -15.211 -11.721 1.00 0.00 H new ATOM 0 HA ILE A 108 -28.816 -13.637 -9.615 1.00 0.00 H new ATOM 0 HB ILE A 108 -30.116 -14.622 -12.190 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -29.831 -11.752 -11.283 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -28.574 -12.533 -12.222 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -32.119 -13.458 -11.353 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -31.616 -14.769 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -31.261 -13.076 -9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -30.085 -11.262 -13.666 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -30.194 -13.002 -14.026 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -31.470 -12.209 -13.072 1.00 0.00 H new ATOM 1644 N ASP A 109 -29.747 -15.720 -8.602 1.00 0.00 N ATOM 1645 CA ASP A 109 -30.151 -16.953 -7.937 1.00 0.00 C ATOM 1646 C ASP A 109 -31.144 -17.732 -8.794 1.00 0.00 C ATOM 1647 O ASP A 109 -31.932 -18.528 -8.280 1.00 0.00 O ATOM 1648 CB ASP A 109 -30.770 -16.642 -6.573 1.00 0.00 C ATOM 1649 CG ASP A 109 -29.725 -16.499 -5.483 1.00 0.00 C ATOM 1650 OD1 ASP A 109 -28.618 -16.006 -5.784 1.00 0.00 O ATOM 1651 OD2 ASP A 109 -30.015 -16.880 -4.329 1.00 0.00 O ATOM 0 H ASP A 109 -29.843 -14.881 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 109 -29.262 -17.568 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -31.348 -15.721 -6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -31.466 -17.436 -6.303 1.00 0.00 H new TER 1656 ASP A 109