USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 30 SER OG : rot 37:sc= 0.0505 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 22:sc= 0.314 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.099 K(o=-0.099,f=-3!) USER MOD Single : A 47 THR OG1 : rot -170:sc= 0.0279 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -1.92 F(o=-3.3,f=-1.9) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0743 K(o=-0.074,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0.0607 X(o=0.061,f=0) USER MOD Single : A 67 GLN : amide:sc= -2.63 K(o=-2.6,f=-8.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-12!) USER MOD Single : A 82 THR OG1 : rot -23:sc= 0.895! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.404 K(o=-0.4,f=-5.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-3.5!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -6.237 -14.637 -25.311 1.00 0.00 N ATOM 2 CA GLY A 29 -5.494 -13.417 -25.055 1.00 0.00 C ATOM 3 C GLY A 29 -4.754 -13.455 -23.733 1.00 0.00 C ATOM 4 O GLY A 29 -4.448 -14.529 -23.215 1.00 0.00 O ATOM 0 HA2 GLY A 29 -4.780 -13.254 -25.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.180 -12.570 -25.060 1.00 0.00 H new ATOM 8 N SER A 30 -4.464 -12.279 -23.185 1.00 0.00 N ATOM 9 CA SER A 30 -3.750 -12.182 -21.918 1.00 0.00 C ATOM 10 C SER A 30 -3.883 -10.782 -21.325 1.00 0.00 C ATOM 11 O SER A 30 -3.639 -9.783 -22.002 1.00 0.00 O ATOM 12 CB SER A 30 -2.272 -12.526 -22.113 1.00 0.00 C ATOM 13 OG SER A 30 -1.691 -11.726 -23.128 1.00 0.00 O ATOM 0 H SER A 30 -4.713 -11.381 -23.599 1.00 0.00 H new ATOM 0 HA SER A 30 -4.194 -12.896 -21.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.734 -12.378 -21.176 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.172 -13.579 -22.374 1.00 0.00 H new ATOM 0 HG SER A 30 -2.061 -10.820 -23.082 1.00 0.00 H new ATOM 19 N SER A 31 -4.274 -10.719 -20.056 1.00 0.00 N ATOM 20 CA SER A 31 -4.444 -9.442 -19.372 1.00 0.00 C ATOM 21 C SER A 31 -3.237 -9.131 -18.493 1.00 0.00 C ATOM 22 O SER A 31 -2.745 -8.004 -18.471 1.00 0.00 O ATOM 23 CB SER A 31 -5.716 -9.461 -18.522 1.00 0.00 C ATOM 24 OG SER A 31 -6.874 -9.527 -19.337 1.00 0.00 O ATOM 0 H SER A 31 -4.479 -11.536 -19.481 1.00 0.00 H new ATOM 0 HA SER A 31 -4.531 -8.662 -20.128 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.693 -10.317 -17.847 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.755 -8.566 -17.901 1.00 0.00 H new ATOM 0 HG SER A 31 -7.673 -9.540 -18.770 1.00 0.00 H new ATOM 30 N GLY A 32 -2.764 -10.141 -17.769 1.00 0.00 N ATOM 31 CA GLY A 32 -1.618 -9.957 -16.898 1.00 0.00 C ATOM 32 C GLY A 32 -1.914 -9.026 -15.739 1.00 0.00 C ATOM 33 O GLY A 32 -2.370 -7.900 -15.939 1.00 0.00 O ATOM 0 H GLY A 32 -3.154 -11.083 -17.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.301 -10.925 -16.510 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.786 -9.558 -17.477 1.00 0.00 H new ATOM 37 N SER A 33 -1.658 -9.497 -14.523 1.00 0.00 N ATOM 38 CA SER A 33 -1.905 -8.701 -13.327 1.00 0.00 C ATOM 39 C SER A 33 -0.951 -9.096 -12.204 1.00 0.00 C ATOM 40 O SER A 33 -0.913 -10.253 -11.785 1.00 0.00 O ATOM 41 CB SER A 33 -3.354 -8.872 -12.865 1.00 0.00 C ATOM 42 OG SER A 33 -4.228 -8.039 -13.606 1.00 0.00 O ATOM 0 H SER A 33 -1.279 -10.426 -14.340 1.00 0.00 H new ATOM 0 HA SER A 33 -1.731 -7.654 -13.575 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.655 -9.913 -12.980 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.431 -8.633 -11.804 1.00 0.00 H new ATOM 0 HG SER A 33 -3.810 -7.805 -14.461 1.00 0.00 H new ATOM 48 N SER A 34 -0.182 -8.126 -11.720 1.00 0.00 N ATOM 49 CA SER A 34 0.776 -8.372 -10.648 1.00 0.00 C ATOM 50 C SER A 34 0.740 -7.246 -9.619 1.00 0.00 C ATOM 51 O SER A 34 1.068 -6.100 -9.924 1.00 0.00 O ATOM 52 CB SER A 34 2.188 -8.512 -11.220 1.00 0.00 C ATOM 53 OG SER A 34 2.382 -9.793 -11.793 1.00 0.00 O ATOM 0 H SER A 34 -0.204 -7.162 -12.053 1.00 0.00 H new ATOM 0 HA SER A 34 0.499 -9.302 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.356 -7.744 -11.975 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.921 -8.349 -10.430 1.00 0.00 H new ATOM 0 HG SER A 34 3.291 -9.856 -12.153 1.00 0.00 H new ATOM 59 N GLY A 35 0.339 -7.582 -8.397 1.00 0.00 N ATOM 60 CA GLY A 35 0.267 -6.590 -7.341 1.00 0.00 C ATOM 61 C GLY A 35 -0.561 -7.058 -6.161 1.00 0.00 C ATOM 62 O GLY A 35 -1.248 -8.078 -6.240 1.00 0.00 O ATOM 0 H GLY A 35 0.063 -8.524 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.275 -6.351 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.161 -5.670 -7.739 1.00 0.00 H new ATOM 66 N HIS A 36 -0.497 -6.313 -5.062 1.00 0.00 N ATOM 67 CA HIS A 36 -1.247 -6.658 -3.859 1.00 0.00 C ATOM 68 C HIS A 36 -2.730 -6.830 -4.175 1.00 0.00 C ATOM 69 O HIS A 36 -3.171 -6.574 -5.295 1.00 0.00 O ATOM 70 CB HIS A 36 -1.063 -5.580 -2.791 1.00 0.00 C ATOM 71 CG HIS A 36 0.289 -5.600 -2.147 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.474 -5.750 -0.789 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.527 -5.490 -2.684 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.767 -5.729 -0.518 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.428 -5.572 -1.651 1.00 0.00 N ATOM 0 H HIS A 36 0.066 -5.467 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.862 -7.604 -3.479 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.227 -4.601 -3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.825 -5.708 -2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.762 -5.362 -3.730 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.208 -5.824 0.463 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.442 -5.520 -1.743 1.00 0.00 H new ATOM 83 N LYS A 37 -3.495 -7.267 -3.179 1.00 0.00 N ATOM 84 CA LYS A 37 -4.928 -7.473 -3.349 1.00 0.00 C ATOM 85 C LYS A 37 -5.704 -6.203 -3.014 1.00 0.00 C ATOM 86 O LYS A 37 -6.361 -6.121 -1.977 1.00 0.00 O ATOM 87 CB LYS A 37 -5.407 -8.625 -2.462 1.00 0.00 C ATOM 88 CG LYS A 37 -4.981 -9.994 -2.961 1.00 0.00 C ATOM 89 CD LYS A 37 -5.971 -11.071 -2.549 1.00 0.00 C ATOM 90 CE LYS A 37 -5.700 -11.567 -1.137 1.00 0.00 C ATOM 91 NZ LYS A 37 -4.601 -12.571 -1.103 1.00 0.00 N ATOM 0 H LYS A 37 -3.146 -7.485 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.112 -7.725 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.022 -8.480 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.495 -8.594 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.894 -9.975 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.994 -10.235 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.985 -10.676 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.913 -11.906 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.440 -10.722 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.608 -12.009 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.447 -12.884 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.859 -13.389 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.728 -12.142 -1.471 1.00 0.00 H new ATOM 105 N PHE A 38 -5.625 -5.216 -3.901 1.00 0.00 N ATOM 106 CA PHE A 38 -6.320 -3.950 -3.699 1.00 0.00 C ATOM 107 C PHE A 38 -7.787 -4.065 -4.104 1.00 0.00 C ATOM 108 O PHE A 38 -8.130 -4.781 -5.046 1.00 0.00 O ATOM 109 CB PHE A 38 -5.643 -2.838 -4.503 1.00 0.00 C ATOM 110 CG PHE A 38 -4.233 -2.558 -4.069 1.00 0.00 C ATOM 111 CD1 PHE A 38 -3.973 -2.025 -2.816 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.168 -2.827 -4.912 1.00 0.00 C ATOM 113 CE1 PHE A 38 -2.677 -1.765 -2.413 1.00 0.00 C ATOM 114 CE2 PHE A 38 -1.869 -2.570 -4.514 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.624 -2.038 -3.264 1.00 0.00 C ATOM 0 H PHE A 38 -5.087 -5.269 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.272 -3.703 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.642 -3.112 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.231 -1.925 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.793 -1.810 -2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.354 -3.242 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.488 -1.349 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.047 -2.785 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.610 -1.835 -2.952 1.00 0.00 H new ATOM 125 N THR A 39 -8.651 -3.355 -3.385 1.00 0.00 N ATOM 126 CA THR A 39 -10.081 -3.378 -3.666 1.00 0.00 C ATOM 127 C THR A 39 -10.773 -2.144 -3.098 1.00 0.00 C ATOM 128 O THR A 39 -10.356 -1.603 -2.075 1.00 0.00 O ATOM 129 CB THR A 39 -10.748 -4.639 -3.086 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.172 -4.496 -3.111 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.283 -4.889 -1.659 1.00 0.00 C ATOM 0 H THR A 39 -8.385 -2.757 -2.603 1.00 0.00 H new ATOM 0 HA THR A 39 -10.189 -3.385 -4.751 1.00 0.00 H new ATOM 0 HB THR A 39 -10.459 -5.492 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.588 -5.303 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.767 -5.785 -1.270 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.202 -5.027 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.546 -4.035 -1.036 1.00 0.00 H new ATOM 139 N ALA A 40 -11.832 -1.704 -3.769 1.00 0.00 N ATOM 140 CA ALA A 40 -12.584 -0.535 -3.330 1.00 0.00 C ATOM 141 C ALA A 40 -13.055 -0.696 -1.888 1.00 0.00 C ATOM 142 O ALA A 40 -13.700 -1.685 -1.543 1.00 0.00 O ATOM 143 CB ALA A 40 -13.770 -0.293 -4.251 1.00 0.00 C ATOM 0 H ALA A 40 -12.189 -2.140 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.922 0.330 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.322 0.583 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.413 -0.125 -5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.426 -1.163 -4.236 1.00 0.00 H new ATOM 149 N ARG A 41 -12.727 0.283 -1.051 1.00 0.00 N ATOM 150 CA ARG A 41 -13.115 0.248 0.354 1.00 0.00 C ATOM 151 C ARG A 41 -13.351 1.658 0.888 1.00 0.00 C ATOM 152 O ARG A 41 -12.447 2.494 0.886 1.00 0.00 O ATOM 153 CB ARG A 41 -12.037 -0.449 1.186 1.00 0.00 C ATOM 154 CG ARG A 41 -12.103 -1.966 1.119 1.00 0.00 C ATOM 155 CD ARG A 41 -11.275 -2.609 2.220 1.00 0.00 C ATOM 156 NE ARG A 41 -11.731 -3.961 2.531 1.00 0.00 N ATOM 157 CZ ARG A 41 -12.791 -4.223 3.288 1.00 0.00 C ATOM 158 NH1 ARG A 41 -13.499 -3.231 3.809 1.00 0.00 N ATOM 159 NH2 ARG A 41 -13.144 -5.480 3.525 1.00 0.00 N ATOM 0 H ARG A 41 -12.194 1.110 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.046 -0.313 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.056 -0.121 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.132 -0.135 2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.140 -2.290 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.743 -2.304 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.229 -2.641 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.327 -1.994 3.118 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.207 -4.747 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.231 -2.264 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.312 -3.435 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.601 -6.246 3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.958 -5.680 4.106 1.00 0.00 H new ATOM 173 N PHE A 42 -14.573 1.916 1.342 1.00 0.00 N ATOM 174 CA PHE A 42 -14.929 3.225 1.877 1.00 0.00 C ATOM 175 C PHE A 42 -13.996 3.619 3.019 1.00 0.00 C ATOM 176 O PHE A 42 -13.501 2.764 3.754 1.00 0.00 O ATOM 177 CB PHE A 42 -16.379 3.222 2.367 1.00 0.00 C ATOM 178 CG PHE A 42 -16.812 1.907 2.950 1.00 0.00 C ATOM 179 CD1 PHE A 42 -16.442 1.548 4.235 1.00 0.00 C ATOM 180 CD2 PHE A 42 -17.590 1.030 2.211 1.00 0.00 C ATOM 181 CE1 PHE A 42 -16.839 0.339 4.775 1.00 0.00 C ATOM 182 CE2 PHE A 42 -17.991 -0.180 2.745 1.00 0.00 C ATOM 183 CZ PHE A 42 -17.614 -0.526 4.028 1.00 0.00 C ATOM 0 H PHE A 42 -15.333 1.236 1.350 1.00 0.00 H new ATOM 0 HA PHE A 42 -14.824 3.957 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.502 4.002 3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.036 3.475 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.836 2.221 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.886 1.295 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.544 0.072 5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -18.599 -0.854 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.925 -1.472 4.446 1.00 0.00 H new ATOM 193 N PHE A 43 -13.759 4.919 3.160 1.00 0.00 N ATOM 194 CA PHE A 43 -12.884 5.426 4.210 1.00 0.00 C ATOM 195 C PHE A 43 -13.390 6.765 4.740 1.00 0.00 C ATOM 196 O PHE A 43 -13.271 7.794 4.074 1.00 0.00 O ATOM 197 CB PHE A 43 -11.456 5.581 3.683 1.00 0.00 C ATOM 198 CG PHE A 43 -10.740 4.273 3.500 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.681 3.350 4.532 1.00 0.00 C ATOM 200 CD2 PHE A 43 -10.126 3.967 2.296 1.00 0.00 C ATOM 201 CE1 PHE A 43 -10.023 2.146 4.366 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.468 2.764 2.125 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.415 1.853 3.161 1.00 0.00 C ATOM 0 H PHE A 43 -14.161 5.640 2.561 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.886 4.706 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.484 6.107 2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.888 6.204 4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.154 3.574 5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.162 4.676 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.984 1.435 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.995 2.536 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.899 0.913 3.029 1.00 0.00 H new ATOM 213 N LYS A 44 -13.956 6.743 5.942 1.00 0.00 N ATOM 214 CA LYS A 44 -14.480 7.954 6.563 1.00 0.00 C ATOM 215 C LYS A 44 -13.356 8.781 7.178 1.00 0.00 C ATOM 216 O LYS A 44 -13.485 9.993 7.343 1.00 0.00 O ATOM 217 CB LYS A 44 -15.510 7.595 7.637 1.00 0.00 C ATOM 218 CG LYS A 44 -16.535 8.688 7.885 1.00 0.00 C ATOM 219 CD LYS A 44 -17.230 8.507 9.224 1.00 0.00 C ATOM 220 CE LYS A 44 -17.915 9.788 9.675 1.00 0.00 C ATOM 221 NZ LYS A 44 -18.523 9.646 11.027 1.00 0.00 N ATOM 0 H LYS A 44 -14.064 5.900 6.506 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.963 8.550 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.028 6.683 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.990 7.378 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.045 9.661 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.276 8.681 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.966 7.707 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.502 8.199 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.191 10.602 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.688 10.059 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.980 10.540 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.233 8.886 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.782 9.413 11.718 1.00 0.00 H new ATOM 235 N GLN A 45 -12.254 8.117 7.513 1.00 0.00 N ATOM 236 CA GLN A 45 -11.107 8.792 8.108 1.00 0.00 C ATOM 237 C GLN A 45 -10.035 9.072 7.060 1.00 0.00 C ATOM 238 O GLN A 45 -9.967 8.420 6.017 1.00 0.00 O ATOM 239 CB GLN A 45 -10.522 7.946 9.241 1.00 0.00 C ATOM 240 CG GLN A 45 -11.291 8.063 10.547 1.00 0.00 C ATOM 241 CD GLN A 45 -12.439 7.077 10.638 1.00 0.00 C ATOM 242 OE1 GLN A 45 -12.674 6.293 9.718 1.00 0.00 O ATOM 243 NE2 GLN A 45 -13.163 7.111 11.750 1.00 0.00 N ATOM 0 H GLN A 45 -12.132 7.113 7.382 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.448 9.744 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.505 6.901 8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.488 8.245 9.410 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.609 7.899 11.382 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.679 9.077 10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.934 7.777 12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.949 6.471 11.867 1.00 0.00 H new ATOM 252 N PRO A 46 -9.177 10.063 7.341 1.00 0.00 N ATOM 253 CA PRO A 46 -8.092 10.451 6.434 1.00 0.00 C ATOM 254 C PRO A 46 -6.997 9.394 6.355 1.00 0.00 C ATOM 255 O PRO A 46 -5.966 9.500 7.020 1.00 0.00 O ATOM 256 CB PRO A 46 -7.549 11.738 7.061 1.00 0.00 C ATOM 257 CG PRO A 46 -7.896 11.631 8.506 1.00 0.00 C ATOM 258 CD PRO A 46 -9.199 10.882 8.564 1.00 0.00 C ATOM 0 HA PRO A 46 -8.442 10.574 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.472 11.824 6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.002 12.620 6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.117 11.103 9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.993 12.618 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.268 10.265 9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.052 11.560 8.578 1.00 0.00 H new ATOM 266 N THR A 47 -7.225 8.372 5.535 1.00 0.00 N ATOM 267 CA THR A 47 -6.258 7.294 5.369 1.00 0.00 C ATOM 268 C THR A 47 -4.849 7.844 5.183 1.00 0.00 C ATOM 269 O THR A 47 -4.668 9.007 4.820 1.00 0.00 O ATOM 270 CB THR A 47 -6.612 6.402 4.164 1.00 0.00 C ATOM 271 OG1 THR A 47 -8.020 6.141 4.145 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.849 5.088 4.221 1.00 0.00 C ATOM 0 H THR A 47 -8.072 8.269 4.975 1.00 0.00 H new ATOM 0 HA THR A 47 -6.294 6.694 6.278 1.00 0.00 H new ATOM 0 HB THR A 47 -6.328 6.930 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.216 5.453 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.115 4.475 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.778 5.288 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.106 4.557 5.138 1.00 0.00 H new ATOM 280 N PHE A 48 -3.852 7.002 5.433 1.00 0.00 N ATOM 281 CA PHE A 48 -2.457 7.404 5.293 1.00 0.00 C ATOM 282 C PHE A 48 -1.731 6.509 4.293 1.00 0.00 C ATOM 283 O PHE A 48 -1.460 5.340 4.571 1.00 0.00 O ATOM 284 CB PHE A 48 -1.751 7.352 6.649 1.00 0.00 C ATOM 285 CG PHE A 48 -0.278 7.637 6.569 1.00 0.00 C ATOM 286 CD1 PHE A 48 0.179 8.870 6.131 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.649 6.674 6.933 1.00 0.00 C ATOM 288 CE1 PHE A 48 1.533 9.135 6.056 1.00 0.00 C ATOM 289 CE2 PHE A 48 2.004 6.933 6.860 1.00 0.00 C ATOM 290 CZ PHE A 48 2.447 8.166 6.422 1.00 0.00 C ATOM 0 H PHE A 48 -3.984 6.036 5.734 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.435 8.428 4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.217 8.074 7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.899 6.366 7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.531 9.632 5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.308 5.709 7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.877 10.099 5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.716 6.173 7.145 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.506 8.372 6.366 1.00 0.00 H new ATOM 300 N CYS A 49 -1.418 7.066 3.128 1.00 0.00 N ATOM 301 CA CYS A 49 -0.724 6.321 2.085 1.00 0.00 C ATOM 302 C CYS A 49 0.647 5.858 2.569 1.00 0.00 C ATOM 303 O CYS A 49 1.459 6.661 3.029 1.00 0.00 O ATOM 304 CB CYS A 49 -0.570 7.182 0.830 1.00 0.00 C ATOM 305 SG CYS A 49 -0.128 6.242 -0.667 1.00 0.00 S ATOM 0 H CYS A 49 -1.634 8.032 2.883 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.321 5.442 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.505 7.713 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.195 7.936 1.012 1.00 0.00 H new ATOM 310 N SER A 50 0.899 4.557 2.460 1.00 0.00 N ATOM 311 CA SER A 50 2.170 3.985 2.889 1.00 0.00 C ATOM 312 C SER A 50 3.116 3.815 1.704 1.00 0.00 C ATOM 313 O SER A 50 3.967 2.925 1.698 1.00 0.00 O ATOM 314 CB SER A 50 1.942 2.636 3.572 1.00 0.00 C ATOM 315 OG SER A 50 1.200 2.789 4.770 1.00 0.00 O ATOM 0 H SER A 50 0.239 3.879 2.078 1.00 0.00 H new ATOM 0 HA SER A 50 2.627 4.671 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.411 1.967 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.902 2.170 3.792 1.00 0.00 H new ATOM 0 HG SER A 50 1.066 1.912 5.186 1.00 0.00 H new ATOM 321 N HIS A 51 2.961 4.675 0.702 1.00 0.00 N ATOM 322 CA HIS A 51 3.801 4.620 -0.489 1.00 0.00 C ATOM 323 C HIS A 51 4.481 5.964 -0.735 1.00 0.00 C ATOM 324 O HIS A 51 5.681 6.025 -1.003 1.00 0.00 O ATOM 325 CB HIS A 51 2.968 4.225 -1.708 1.00 0.00 C ATOM 326 CG HIS A 51 3.727 4.291 -2.998 1.00 0.00 C ATOM 327 ND1 HIS A 51 4.177 5.352 -3.708 1.00 0.00 N flip ATOM 328 CD2 HIS A 51 4.105 3.169 -3.706 1.00 0.00 C flip ATOM 329 CE1 HIS A 51 4.813 4.858 -4.820 1.00 0.00 C flip ATOM 330 NE2 HIS A 51 4.756 3.538 -4.795 1.00 0.00 N flip ATOM 0 H HIS A 51 2.262 5.418 0.691 1.00 0.00 H new ATOM 0 HA HIS A 51 4.572 3.867 -0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.592 3.211 -1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.100 4.881 -1.773 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.065 6.336 -3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.901 2.149 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.283 5.452 -5.590 1.00 0.00 H new ATOM 338 N CYS A 52 3.705 7.039 -0.644 1.00 0.00 N ATOM 339 CA CYS A 52 4.231 8.382 -0.859 1.00 0.00 C ATOM 340 C CYS A 52 4.213 9.187 0.438 1.00 0.00 C ATOM 341 O CYS A 52 4.640 10.341 0.472 1.00 0.00 O ATOM 342 CB CYS A 52 3.416 9.106 -1.933 1.00 0.00 C ATOM 343 SG CYS A 52 1.659 9.330 -1.508 1.00 0.00 S ATOM 0 H CYS A 52 2.710 7.006 -0.423 1.00 0.00 H new ATOM 0 HA CYS A 52 5.264 8.291 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.862 10.084 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.485 8.546 -2.865 1.00 0.00 H new ATOM 348 N THR A 53 3.715 8.569 1.504 1.00 0.00 N ATOM 349 CA THR A 53 3.640 9.226 2.803 1.00 0.00 C ATOM 350 C THR A 53 2.750 10.462 2.743 1.00 0.00 C ATOM 351 O THR A 53 3.173 11.561 3.103 1.00 0.00 O ATOM 352 CB THR A 53 5.037 9.637 3.306 1.00 0.00 C ATOM 353 OG1 THR A 53 5.904 8.498 3.331 1.00 0.00 O ATOM 354 CG2 THR A 53 4.953 10.247 4.697 1.00 0.00 C ATOM 0 H THR A 53 3.357 7.614 1.493 1.00 0.00 H new ATOM 0 HA THR A 53 3.209 8.505 3.498 1.00 0.00 H new ATOM 0 HB THR A 53 5.440 10.384 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.790 8.768 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.951 10.529 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.316 11.131 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.531 9.518 5.389 1.00 0.00 H new ATOM 362 N ASP A 54 1.517 10.276 2.286 1.00 0.00 N ATOM 363 CA ASP A 54 0.566 11.377 2.180 1.00 0.00 C ATOM 364 C ASP A 54 -0.849 10.905 2.500 1.00 0.00 C ATOM 365 O ASP A 54 -1.109 9.705 2.592 1.00 0.00 O ATOM 366 CB ASP A 54 0.610 11.983 0.777 1.00 0.00 C ATOM 367 CG ASP A 54 -0.295 13.192 0.641 1.00 0.00 C ATOM 368 OD1 ASP A 54 0.008 14.233 1.261 1.00 0.00 O ATOM 369 OD2 ASP A 54 -1.305 13.098 -0.087 1.00 0.00 O ATOM 0 H ASP A 54 1.152 9.373 1.983 1.00 0.00 H new ATOM 0 HA ASP A 54 0.848 12.140 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.634 12.271 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.315 11.228 0.049 1.00 0.00 H new ATOM 374 N PHE A 55 -1.760 11.857 2.670 1.00 0.00 N ATOM 375 CA PHE A 55 -3.149 11.539 2.981 1.00 0.00 C ATOM 376 C PHE A 55 -3.925 11.192 1.714 1.00 0.00 C ATOM 377 O PHE A 55 -3.591 11.654 0.623 1.00 0.00 O ATOM 378 CB PHE A 55 -3.816 12.717 3.695 1.00 0.00 C ATOM 379 CG PHE A 55 -3.066 13.184 4.910 1.00 0.00 C ATOM 380 CD1 PHE A 55 -3.000 12.394 6.046 1.00 0.00 C ATOM 381 CD2 PHE A 55 -2.428 14.414 4.915 1.00 0.00 C ATOM 382 CE1 PHE A 55 -2.311 12.822 7.165 1.00 0.00 C ATOM 383 CE2 PHE A 55 -1.737 14.847 6.031 1.00 0.00 C ATOM 384 CZ PHE A 55 -1.678 14.050 7.157 1.00 0.00 C ATOM 0 H PHE A 55 -1.562 12.855 2.598 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.158 10.671 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.913 13.548 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.825 12.429 3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.492 11.433 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.471 15.041 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.267 12.197 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.244 15.808 6.022 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.138 14.386 8.030 1.00 0.00 H new ATOM 394 N ILE A 56 -4.961 10.374 1.868 1.00 0.00 N ATOM 395 CA ILE A 56 -5.785 9.965 0.737 1.00 0.00 C ATOM 396 C ILE A 56 -7.117 10.709 0.730 1.00 0.00 C ATOM 397 O ILE A 56 -7.461 11.375 -0.246 1.00 0.00 O ATOM 398 CB ILE A 56 -6.057 8.449 0.758 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.753 7.673 0.563 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.067 8.078 -0.317 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.823 6.242 1.049 1.00 0.00 C ATOM 0 H ILE A 56 -5.250 9.982 2.764 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.228 10.214 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.475 8.182 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.492 7.676 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.950 8.189 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.249 7.004 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.002 8.609 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.675 8.355 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.864 5.753 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.053 6.230 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.603 5.710 0.504 1.00 0.00 H new ATOM 413 N TRP A 57 -7.860 10.591 1.824 1.00 0.00 N ATOM 414 CA TRP A 57 -9.153 11.254 1.945 1.00 0.00 C ATOM 415 C TRP A 57 -9.056 12.717 1.527 1.00 0.00 C ATOM 416 O TRP A 57 -9.950 13.244 0.865 1.00 0.00 O ATOM 417 CB TRP A 57 -9.669 11.154 3.381 1.00 0.00 C ATOM 418 CG TRP A 57 -11.144 11.394 3.501 1.00 0.00 C ATOM 419 CD1 TRP A 57 -12.134 10.454 3.456 1.00 0.00 C ATOM 420 CD2 TRP A 57 -11.794 12.657 3.683 1.00 0.00 C ATOM 421 NE1 TRP A 57 -13.360 11.057 3.600 1.00 0.00 N ATOM 422 CE2 TRP A 57 -13.179 12.407 3.741 1.00 0.00 C ATOM 423 CE3 TRP A 57 -11.341 13.973 3.805 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -14.112 13.426 3.915 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -12.268 14.983 3.977 1.00 0.00 C ATOM 426 CH2 TRP A 57 -13.641 14.705 4.031 1.00 0.00 C ATOM 0 H TRP A 57 -7.589 10.042 2.640 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.854 10.751 1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.436 10.165 3.775 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.139 11.877 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.976 9.393 3.326 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -14.260 10.577 3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -10.285 14.197 3.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.170 13.214 3.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -11.929 16.004 4.071 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -14.341 15.517 4.167 1.00 0.00 H new ATOM 437 N GLY A 58 -7.965 13.368 1.918 1.00 0.00 N ATOM 438 CA GLY A 58 -7.772 14.765 1.574 1.00 0.00 C ATOM 439 C GLY A 58 -8.261 15.092 0.177 1.00 0.00 C ATOM 440 O GLY A 58 -9.044 16.023 -0.012 1.00 0.00 O ATOM 0 H GLY A 58 -7.212 12.953 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.299 15.390 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.713 15.012 1.652 1.00 0.00 H new ATOM 444 N ILE A 59 -7.798 14.325 -0.804 1.00 0.00 N ATOM 445 CA ILE A 59 -8.193 14.538 -2.191 1.00 0.00 C ATOM 446 C ILE A 59 -9.509 13.835 -2.502 1.00 0.00 C ATOM 447 O ILE A 59 -10.425 14.431 -3.067 1.00 0.00 O ATOM 448 CB ILE A 59 -7.112 14.037 -3.168 1.00 0.00 C ATOM 449 CG1 ILE A 59 -5.809 14.813 -2.963 1.00 0.00 C ATOM 450 CG2 ILE A 59 -7.594 14.170 -4.604 1.00 0.00 C ATOM 451 CD1 ILE A 59 -4.890 14.189 -1.936 1.00 0.00 C ATOM 0 H ILE A 59 -7.149 13.551 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.319 15.613 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.920 12.983 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.283 14.882 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.046 15.831 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.820 13.812 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.498 13.577 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.810 15.216 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.986 14.792 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.398 14.145 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.623 13.181 -2.252 1.00 0.00 H new ATOM 463 N GLY A 60 -9.597 12.562 -2.127 1.00 0.00 N ATOM 464 CA GLY A 60 -10.806 11.798 -2.373 1.00 0.00 C ATOM 465 C GLY A 60 -10.778 10.438 -1.704 1.00 0.00 C ATOM 466 O GLY A 60 -9.708 9.894 -1.430 1.00 0.00 O ATOM 0 H GLY A 60 -8.853 12.047 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.667 12.360 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.938 11.669 -3.447 1.00 0.00 H new ATOM 470 N LYS A 61 -11.958 9.886 -1.439 1.00 0.00 N ATOM 471 CA LYS A 61 -12.066 8.581 -0.798 1.00 0.00 C ATOM 472 C LYS A 61 -11.465 7.491 -1.679 1.00 0.00 C ATOM 473 O LYS A 61 -11.250 6.366 -1.228 1.00 0.00 O ATOM 474 CB LYS A 61 -13.531 8.258 -0.497 1.00 0.00 C ATOM 475 CG LYS A 61 -14.230 7.503 -1.614 1.00 0.00 C ATOM 476 CD LYS A 61 -14.468 8.391 -2.823 1.00 0.00 C ATOM 477 CE LYS A 61 -14.336 7.611 -4.122 1.00 0.00 C ATOM 478 NZ LYS A 61 -15.563 6.824 -4.424 1.00 0.00 N ATOM 0 H LYS A 61 -12.853 10.323 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.508 8.616 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.583 7.667 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.068 9.188 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.627 6.643 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.183 7.116 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.463 8.832 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.754 9.214 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.137 8.302 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.480 6.939 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.433 6.307 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.739 6.147 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.375 7.467 -4.512 1.00 0.00 H new ATOM 492 N GLN A 62 -11.194 7.832 -2.934 1.00 0.00 N ATOM 493 CA GLN A 62 -10.616 6.881 -3.876 1.00 0.00 C ATOM 494 C GLN A 62 -9.368 6.228 -3.294 1.00 0.00 C ATOM 495 O GLN A 62 -8.261 6.748 -3.430 1.00 0.00 O ATOM 496 CB GLN A 62 -10.274 7.580 -5.193 1.00 0.00 C ATOM 497 CG GLN A 62 -11.454 7.699 -6.144 1.00 0.00 C ATOM 498 CD GLN A 62 -11.877 6.362 -6.720 1.00 0.00 C ATOM 499 OE1 GLN A 62 -11.155 5.370 -6.612 1.00 0.00 O ATOM 500 NE2 GLN A 62 -13.053 6.328 -7.335 1.00 0.00 N ATOM 0 H GLN A 62 -11.365 8.760 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.355 6.103 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.891 8.577 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.473 7.031 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.297 8.146 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.193 8.375 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.619 7.174 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.391 5.456 -7.741 1.00 0.00 H new ATOM 509 N GLY A 63 -9.553 5.083 -2.643 1.00 0.00 N ATOM 510 CA GLY A 63 -8.433 4.378 -2.049 1.00 0.00 C ATOM 511 C GLY A 63 -8.625 2.874 -2.055 1.00 0.00 C ATOM 512 O GLY A 63 -9.752 2.385 -2.155 1.00 0.00 O ATOM 0 H GLY A 63 -10.459 4.632 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.522 4.627 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.296 4.719 -1.023 1.00 0.00 H new ATOM 516 N LEU A 64 -7.525 2.138 -1.948 1.00 0.00 N ATOM 517 CA LEU A 64 -7.577 0.680 -1.943 1.00 0.00 C ATOM 518 C LEU A 64 -6.661 0.106 -0.867 1.00 0.00 C ATOM 519 O LEU A 64 -5.473 0.424 -0.817 1.00 0.00 O ATOM 520 CB LEU A 64 -7.179 0.131 -3.314 1.00 0.00 C ATOM 521 CG LEU A 64 -7.542 1.002 -4.517 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.565 0.769 -5.659 1.00 0.00 C ATOM 523 CD2 LEU A 64 -8.968 0.722 -4.968 1.00 0.00 C ATOM 0 H LEU A 64 -6.586 2.527 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.601 0.378 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.101 -0.030 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.648 -0.845 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.476 2.048 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.839 1.397 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.556 1.021 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.598 -0.279 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.209 1.351 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.061 -0.327 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.657 0.941 -4.152 1.00 0.00 H new ATOM 535 N GLN A 65 -7.221 -0.742 -0.011 1.00 0.00 N ATOM 536 CA GLN A 65 -6.453 -1.361 1.063 1.00 0.00 C ATOM 537 C GLN A 65 -6.269 -2.854 0.809 1.00 0.00 C ATOM 538 O GLN A 65 -7.127 -3.503 0.210 1.00 0.00 O ATOM 539 CB GLN A 65 -7.149 -1.142 2.408 1.00 0.00 C ATOM 540 CG GLN A 65 -6.427 -1.788 3.579 1.00 0.00 C ATOM 541 CD GLN A 65 -6.838 -1.201 4.914 1.00 0.00 C ATOM 542 OE1 GLN A 65 -8.008 -1.253 5.294 1.00 0.00 O ATOM 543 NE2 GLN A 65 -5.876 -0.638 5.635 1.00 0.00 N ATOM 0 H GLN A 65 -8.203 -1.016 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.470 -0.892 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.237 -0.071 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.162 -1.540 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.630 -2.859 3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.352 -1.667 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.919 -0.617 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.093 -0.226 6.543 1.00 0.00 H new ATOM 552 N CYS A 66 -5.145 -3.393 1.270 1.00 0.00 N ATOM 553 CA CYS A 66 -4.847 -4.809 1.093 1.00 0.00 C ATOM 554 C CYS A 66 -5.367 -5.626 2.272 1.00 0.00 C ATOM 555 O CYS A 66 -4.986 -5.391 3.418 1.00 0.00 O ATOM 556 CB CYS A 66 -3.340 -5.019 0.938 1.00 0.00 C ATOM 557 SG CYS A 66 -2.867 -6.722 0.498 1.00 0.00 S ATOM 0 H CYS A 66 -4.425 -2.870 1.769 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.349 -5.150 0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.967 -4.340 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.848 -4.747 1.872 1.00 0.00 H new ATOM 562 N GLN A 67 -6.240 -6.585 1.981 1.00 0.00 N ATOM 563 CA GLN A 67 -6.812 -7.437 3.017 1.00 0.00 C ATOM 564 C GLN A 67 -5.780 -8.433 3.535 1.00 0.00 C ATOM 565 O GLN A 67 -6.084 -9.273 4.382 1.00 0.00 O ATOM 566 CB GLN A 67 -8.033 -8.183 2.477 1.00 0.00 C ATOM 567 CG GLN A 67 -9.075 -7.271 1.849 1.00 0.00 C ATOM 568 CD GLN A 67 -9.676 -6.299 2.846 1.00 0.00 C ATOM 569 OE1 GLN A 67 -10.807 -6.477 3.299 1.00 0.00 O ATOM 570 NE2 GLN A 67 -8.921 -5.264 3.192 1.00 0.00 N ATOM 0 H GLN A 67 -6.567 -6.791 1.037 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.122 -6.800 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.705 -8.911 1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.495 -8.743 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.618 -6.712 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.869 -7.878 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.989 -5.156 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.272 -4.577 3.859 1.00 0.00 H new ATOM 579 N VAL A 68 -4.559 -8.334 3.020 1.00 0.00 N ATOM 580 CA VAL A 68 -3.481 -9.226 3.431 1.00 0.00 C ATOM 581 C VAL A 68 -2.555 -8.545 4.432 1.00 0.00 C ATOM 582 O VAL A 68 -2.428 -8.984 5.575 1.00 0.00 O ATOM 583 CB VAL A 68 -2.653 -9.700 2.221 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.746 -10.855 2.615 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.567 -10.096 1.072 1.00 0.00 C ATOM 0 H VAL A 68 -4.291 -7.645 2.317 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.948 -10.090 3.903 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.025 -8.874 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.169 -11.177 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.066 -10.531 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.351 -11.686 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.965 -10.428 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.223 -10.906 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.169 -9.238 0.774 1.00 0.00 H new ATOM 595 N CYS A 69 -1.910 -7.469 3.995 1.00 0.00 N ATOM 596 CA CYS A 69 -0.995 -6.725 4.852 1.00 0.00 C ATOM 597 C CYS A 69 -1.590 -5.375 5.241 1.00 0.00 C ATOM 598 O CYS A 69 -0.863 -4.429 5.546 1.00 0.00 O ATOM 599 CB CYS A 69 0.346 -6.519 4.145 1.00 0.00 C ATOM 600 SG CYS A 69 0.214 -5.696 2.525 1.00 0.00 S ATOM 0 H CYS A 69 -2.004 -7.093 3.052 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.834 -7.306 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.997 -5.928 4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.826 -7.488 4.010 1.00 0.00 H new ATOM 605 N SER A 70 -2.916 -5.293 5.227 1.00 0.00 N ATOM 606 CA SER A 70 -3.610 -4.058 5.574 1.00 0.00 C ATOM 607 C SER A 70 -2.896 -2.848 4.979 1.00 0.00 C ATOM 608 O SER A 70 -2.966 -1.744 5.519 1.00 0.00 O ATOM 609 CB SER A 70 -3.704 -3.911 7.094 1.00 0.00 C ATOM 610 OG SER A 70 -4.879 -4.526 7.594 1.00 0.00 O ATOM 0 H SER A 70 -3.532 -6.067 4.979 1.00 0.00 H new ATOM 0 HA SER A 70 -4.616 -4.106 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.828 -4.360 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.701 -2.854 7.361 1.00 0.00 H new ATOM 0 HG SER A 70 -4.915 -4.420 8.568 1.00 0.00 H new ATOM 616 N PHE A 71 -2.208 -3.065 3.862 1.00 0.00 N ATOM 617 CA PHE A 71 -1.480 -1.994 3.193 1.00 0.00 C ATOM 618 C PHE A 71 -2.386 -1.246 2.219 1.00 0.00 C ATOM 619 O PHE A 71 -2.907 -1.827 1.267 1.00 0.00 O ATOM 620 CB PHE A 71 -0.269 -2.560 2.448 1.00 0.00 C ATOM 621 CG PHE A 71 0.625 -1.502 1.867 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.628 -0.927 2.632 1.00 0.00 C ATOM 623 CD2 PHE A 71 0.464 -1.083 0.557 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.452 0.047 2.100 1.00 0.00 C ATOM 625 CE2 PHE A 71 1.285 -0.109 0.019 1.00 0.00 C ATOM 626 CZ PHE A 71 2.281 0.455 0.792 1.00 0.00 C ATOM 0 H PHE A 71 -2.140 -3.973 3.402 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.136 -1.293 3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.311 -3.179 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.617 -3.211 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.767 -1.244 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.312 -1.522 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.229 0.488 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.148 0.210 -1.004 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.925 1.214 0.374 1.00 0.00 H new ATOM 636 N VAL A 72 -2.570 0.047 2.465 1.00 0.00 N ATOM 637 CA VAL A 72 -3.412 0.876 1.611 1.00 0.00 C ATOM 638 C VAL A 72 -2.608 2.003 0.973 1.00 0.00 C ATOM 639 O VAL A 72 -1.640 2.494 1.552 1.00 0.00 O ATOM 640 CB VAL A 72 -4.588 1.482 2.400 1.00 0.00 C ATOM 641 CG1 VAL A 72 -4.102 2.069 3.716 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.301 2.537 1.567 1.00 0.00 C ATOM 0 H VAL A 72 -2.147 0.543 3.249 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.805 0.227 0.829 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.300 0.688 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.947 2.492 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.641 1.285 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.370 2.851 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.129 2.955 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.601 3.332 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.685 2.082 0.654 1.00 0.00 H new ATOM 652 N VAL A 73 -3.016 2.409 -0.226 1.00 0.00 N ATOM 653 CA VAL A 73 -2.335 3.480 -0.943 1.00 0.00 C ATOM 654 C VAL A 73 -3.226 4.064 -2.033 1.00 0.00 C ATOM 655 O VAL A 73 -4.163 3.416 -2.499 1.00 0.00 O ATOM 656 CB VAL A 73 -1.023 2.983 -1.579 1.00 0.00 C ATOM 657 CG1 VAL A 73 -0.053 2.513 -0.505 1.00 0.00 C ATOM 658 CG2 VAL A 73 -1.303 1.872 -2.579 1.00 0.00 C ATOM 0 H VAL A 73 -3.815 2.012 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.105 4.255 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.561 3.813 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.868 2.166 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.172 3.340 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.503 1.697 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.365 1.533 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.788 1.038 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.958 2.247 -3.366 1.00 0.00 H new ATOM 668 N HIS A 74 -2.926 5.295 -2.438 1.00 0.00 N ATOM 669 CA HIS A 74 -3.700 5.968 -3.475 1.00 0.00 C ATOM 670 C HIS A 74 -4.023 5.011 -4.619 1.00 0.00 C ATOM 671 O HIS A 74 -3.246 4.105 -4.922 1.00 0.00 O ATOM 672 CB HIS A 74 -2.932 7.177 -4.009 1.00 0.00 C ATOM 673 CG HIS A 74 -2.719 8.251 -2.987 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.468 8.680 -2.596 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.606 8.983 -2.274 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.595 9.630 -1.686 1.00 0.00 C ATOM 677 NE2 HIS A 74 -2.883 9.833 -1.473 1.00 0.00 N ATOM 0 H HIS A 74 -2.153 5.846 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.637 6.307 -3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.963 6.845 -4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.474 7.596 -4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.682 8.912 -2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.784 10.152 -1.199 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.276 10.511 -0.820 1.00 0.00 H new ATOM 685 N ARG A 75 -5.175 5.217 -5.248 1.00 0.00 N ATOM 686 CA ARG A 75 -5.602 4.371 -6.356 1.00 0.00 C ATOM 687 C ARG A 75 -4.490 4.228 -7.391 1.00 0.00 C ATOM 688 O ARG A 75 -4.332 3.173 -8.006 1.00 0.00 O ATOM 689 CB ARG A 75 -6.856 4.951 -7.015 1.00 0.00 C ATOM 690 CG ARG A 75 -7.744 3.901 -7.663 1.00 0.00 C ATOM 691 CD ARG A 75 -7.177 3.437 -8.995 1.00 0.00 C ATOM 692 NE ARG A 75 -8.228 3.035 -9.927 1.00 0.00 N ATOM 693 CZ ARG A 75 -8.878 1.879 -9.846 1.00 0.00 C ATOM 694 NH1 ARG A 75 -8.587 1.017 -8.882 1.00 0.00 N ATOM 695 NH2 ARG A 75 -9.822 1.585 -10.731 1.00 0.00 N ATOM 0 H ARG A 75 -5.829 5.962 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.833 3.383 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.434 5.491 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.556 5.678 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.848 3.047 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.743 4.311 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.588 4.240 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.500 2.599 -8.829 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.476 3.676 -10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.862 1.240 -8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.088 0.130 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.049 2.246 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.321 0.698 -10.669 1.00 0.00 H new ATOM 709 N ARG A 76 -3.723 5.297 -7.579 1.00 0.00 N ATOM 710 CA ARG A 76 -2.627 5.292 -8.541 1.00 0.00 C ATOM 711 C ARG A 76 -1.374 4.671 -7.933 1.00 0.00 C ATOM 712 O ARG A 76 -0.710 3.845 -8.560 1.00 0.00 O ATOM 713 CB ARG A 76 -2.327 6.716 -9.012 1.00 0.00 C ATOM 714 CG ARG A 76 -1.929 7.658 -7.887 1.00 0.00 C ATOM 715 CD ARG A 76 -2.177 9.110 -8.263 1.00 0.00 C ATOM 716 NE ARG A 76 -2.177 9.986 -7.094 1.00 0.00 N ATOM 717 CZ ARG A 76 -2.167 11.312 -7.170 1.00 0.00 C ATOM 718 NH1 ARG A 76 -2.156 11.912 -8.352 1.00 0.00 N ATOM 719 NH2 ARG A 76 -2.167 12.041 -6.061 1.00 0.00 N ATOM 0 H ARG A 76 -3.840 6.178 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.931 4.690 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.525 6.684 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.207 7.116 -9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.494 7.412 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.875 7.518 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.409 9.439 -8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.134 9.193 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.185 9.556 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.155 11.355 -9.207 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.148 12.930 -8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.175 11.583 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.159 13.059 -6.120 1.00 0.00 H new ATOM 733 N CYS A 77 -1.054 5.074 -6.707 1.00 0.00 N ATOM 734 CA CYS A 77 0.120 4.559 -6.014 1.00 0.00 C ATOM 735 C CYS A 77 0.147 3.033 -6.049 1.00 0.00 C ATOM 736 O CYS A 77 1.198 2.416 -5.874 1.00 0.00 O ATOM 737 CB CYS A 77 0.137 5.047 -4.564 1.00 0.00 C ATOM 738 SG CYS A 77 0.665 6.779 -4.369 1.00 0.00 S ATOM 0 H CYS A 77 -1.593 5.756 -6.173 1.00 0.00 H new ATOM 0 HA CYS A 77 1.006 4.932 -6.527 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.861 4.933 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.803 4.408 -3.984 1.00 0.00 H new ATOM 743 N HIS A 78 -1.017 2.432 -6.276 1.00 0.00 N ATOM 744 CA HIS A 78 -1.127 0.978 -6.335 1.00 0.00 C ATOM 745 C HIS A 78 -0.108 0.395 -7.310 1.00 0.00 C ATOM 746 O HIS A 78 0.822 -0.302 -6.906 1.00 0.00 O ATOM 747 CB HIS A 78 -2.540 0.570 -6.752 1.00 0.00 C ATOM 748 CG HIS A 78 -2.601 -0.757 -7.444 1.00 0.00 C ATOM 749 ND1 HIS A 78 -1.744 -1.798 -7.152 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.424 -1.211 -8.418 1.00 0.00 C ATOM 751 CE1 HIS A 78 -2.036 -2.834 -7.918 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.052 -2.504 -8.695 1.00 0.00 N ATOM 0 H HIS A 78 -1.896 2.928 -6.422 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.920 0.582 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.176 0.539 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.950 1.334 -7.413 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -1.001 -1.772 -6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.224 -0.659 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.530 -3.788 -7.910 1.00 0.00 H new ATOM 760 N GLU A 79 -0.291 0.685 -8.594 1.00 0.00 N ATOM 761 CA GLU A 79 0.612 0.188 -9.625 1.00 0.00 C ATOM 762 C GLU A 79 2.057 0.563 -9.310 1.00 0.00 C ATOM 763 O GLU A 79 2.991 -0.145 -9.688 1.00 0.00 O ATOM 764 CB GLU A 79 0.216 0.745 -10.994 1.00 0.00 C ATOM 765 CG GLU A 79 0.895 2.061 -11.335 1.00 0.00 C ATOM 766 CD GLU A 79 0.389 2.660 -12.632 1.00 0.00 C ATOM 767 OE1 GLU A 79 -0.791 2.427 -12.972 1.00 0.00 O ATOM 768 OE2 GLU A 79 1.170 3.362 -13.308 1.00 0.00 O ATOM 0 H GLU A 79 -1.056 1.261 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 79 0.533 -0.899 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.461 0.010 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.865 0.886 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.732 2.770 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.971 1.902 -11.408 1.00 0.00 H new ATOM 775 N PHE A 80 2.234 1.682 -8.615 1.00 0.00 N ATOM 776 CA PHE A 80 3.564 2.153 -8.249 1.00 0.00 C ATOM 777 C PHE A 80 4.154 1.301 -7.129 1.00 0.00 C ATOM 778 O PHE A 80 5.372 1.158 -7.018 1.00 0.00 O ATOM 779 CB PHE A 80 3.508 3.619 -7.815 1.00 0.00 C ATOM 780 CG PHE A 80 3.459 4.583 -8.965 1.00 0.00 C ATOM 781 CD1 PHE A 80 4.349 4.470 -10.020 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.522 5.604 -8.990 1.00 0.00 C ATOM 783 CE1 PHE A 80 4.307 5.356 -11.080 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.474 6.493 -10.048 1.00 0.00 C ATOM 785 CZ PHE A 80 3.368 6.369 -11.094 1.00 0.00 C ATOM 0 H PHE A 80 1.472 2.280 -8.294 1.00 0.00 H new ATOM 0 HA PHE A 80 4.207 2.065 -9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.630 3.770 -7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.381 3.842 -7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.085 3.680 -10.014 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.822 5.706 -8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.007 5.256 -11.896 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.738 7.284 -10.057 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.333 7.063 -11.921 1.00 0.00 H new ATOM 795 N VAL A 81 3.281 0.737 -6.301 1.00 0.00 N ATOM 796 CA VAL A 81 3.714 -0.102 -5.189 1.00 0.00 C ATOM 797 C VAL A 81 4.777 -1.099 -5.635 1.00 0.00 C ATOM 798 O VAL A 81 4.531 -1.944 -6.497 1.00 0.00 O ATOM 799 CB VAL A 81 2.531 -0.870 -4.572 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.031 -1.941 -3.614 1.00 0.00 C ATOM 801 CG2 VAL A 81 1.584 0.088 -3.865 1.00 0.00 C ATOM 0 H VAL A 81 2.270 0.845 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 81 4.137 0.563 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 81 1.982 -1.362 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.181 -2.473 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.666 -2.644 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.605 -1.474 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.754 -0.472 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.119 0.610 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.199 0.814 -4.581 1.00 0.00 H new ATOM 811 N THR A 82 5.963 -0.998 -5.041 1.00 0.00 N ATOM 812 CA THR A 82 7.065 -1.891 -5.377 1.00 0.00 C ATOM 813 C THR A 82 7.381 -2.833 -4.221 1.00 0.00 C ATOM 814 O THR A 82 8.292 -3.656 -4.310 1.00 0.00 O ATOM 815 CB THR A 82 8.336 -1.101 -5.743 1.00 0.00 C ATOM 816 OG1 THR A 82 9.433 -2.001 -5.934 1.00 0.00 O ATOM 817 CG2 THR A 82 8.681 -0.096 -4.654 1.00 0.00 C ATOM 0 H THR A 82 6.184 -0.306 -4.325 1.00 0.00 H new ATOM 0 HA THR A 82 6.747 -2.475 -6.241 1.00 0.00 H new ATOM 0 HB THR A 82 8.146 -0.558 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.260 -2.835 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.582 0.450 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.855 0.605 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.853 -0.622 -3.715 1.00 0.00 H new ATOM 825 N PHE A 83 6.622 -2.708 -3.137 1.00 0.00 N ATOM 826 CA PHE A 83 6.822 -3.549 -1.963 1.00 0.00 C ATOM 827 C PHE A 83 6.109 -4.888 -2.126 1.00 0.00 C ATOM 828 O PHE A 83 4.945 -4.939 -2.523 1.00 0.00 O ATOM 829 CB PHE A 83 6.314 -2.837 -0.707 1.00 0.00 C ATOM 830 CG PHE A 83 6.087 -3.761 0.455 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.156 -4.382 1.082 1.00 0.00 C ATOM 832 CD2 PHE A 83 4.806 -4.009 0.921 1.00 0.00 C ATOM 833 CE1 PHE A 83 6.951 -5.232 2.152 1.00 0.00 C ATOM 834 CE2 PHE A 83 4.595 -4.858 1.991 1.00 0.00 C ATOM 835 CZ PHE A 83 5.669 -5.471 2.607 1.00 0.00 C ATOM 0 H PHE A 83 5.863 -2.032 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 83 7.891 -3.737 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.033 -2.071 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.381 -2.325 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.161 -4.199 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.963 -3.533 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.793 -5.709 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.591 -5.042 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.506 -6.136 3.443 1.00 0.00 H new ATOM 845 N GLU A 84 6.817 -5.970 -1.816 1.00 0.00 N ATOM 846 CA GLU A 84 6.252 -7.310 -1.929 1.00 0.00 C ATOM 847 C GLU A 84 5.384 -7.638 -0.718 1.00 0.00 C ATOM 848 O GLU A 84 5.810 -7.482 0.427 1.00 0.00 O ATOM 849 CB GLU A 84 7.368 -8.347 -2.067 1.00 0.00 C ATOM 850 CG GLU A 84 8.167 -8.555 -0.791 1.00 0.00 C ATOM 851 CD GLU A 84 9.263 -9.591 -0.952 1.00 0.00 C ATOM 852 OE1 GLU A 84 8.985 -10.787 -0.727 1.00 0.00 O ATOM 853 OE2 GLU A 84 10.398 -9.205 -1.301 1.00 0.00 O ATOM 0 H GLU A 84 7.782 -5.945 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 84 5.626 -7.339 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.933 -9.299 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.045 -8.036 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.610 -7.607 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.494 -8.865 0.008 1.00 0.00 H new ATOM 860 N CYS A 85 4.163 -8.094 -0.979 1.00 0.00 N ATOM 861 CA CYS A 85 3.233 -8.444 0.088 1.00 0.00 C ATOM 862 C CYS A 85 3.765 -9.614 0.911 1.00 0.00 C ATOM 863 O CYS A 85 4.231 -10.620 0.376 1.00 0.00 O ATOM 864 CB CYS A 85 1.864 -8.798 -0.497 1.00 0.00 C ATOM 865 SG CYS A 85 0.507 -8.768 0.718 1.00 0.00 S ATOM 0 H CYS A 85 3.795 -8.230 -1.920 1.00 0.00 H new ATOM 0 HA CYS A 85 3.128 -7.580 0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.633 -8.100 -1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.917 -9.791 -0.943 1.00 0.00 H new ATOM 870 N PRO A 86 3.693 -9.481 2.243 1.00 0.00 N ATOM 871 CA PRO A 86 4.161 -10.517 3.169 1.00 0.00 C ATOM 872 C PRO A 86 3.275 -11.757 3.147 1.00 0.00 C ATOM 873 O PRO A 86 3.751 -12.876 3.332 1.00 0.00 O ATOM 874 CB PRO A 86 4.087 -9.831 4.536 1.00 0.00 C ATOM 875 CG PRO A 86 3.047 -8.777 4.375 1.00 0.00 C ATOM 876 CD PRO A 86 3.148 -8.309 2.949 1.00 0.00 C ATOM 0 HA PRO A 86 5.157 -10.875 2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.816 -10.538 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.048 -9.399 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.054 -9.173 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.216 -7.953 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.176 -8.017 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.803 -7.443 2.856 1.00 0.00 H new ATOM 884 N GLY A 87 1.981 -11.551 2.920 1.00 0.00 N ATOM 885 CA GLY A 87 1.049 -12.662 2.877 1.00 0.00 C ATOM 886 C GLY A 87 0.829 -13.182 1.470 1.00 0.00 C ATOM 887 O GLY A 87 0.890 -14.387 1.230 1.00 0.00 O ATOM 0 H GLY A 87 1.562 -10.634 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.423 -13.470 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.094 -12.347 3.298 1.00 0.00 H new ATOM 891 N ALA A 88 0.571 -12.271 0.538 1.00 0.00 N ATOM 892 CA ALA A 88 0.342 -12.644 -0.852 1.00 0.00 C ATOM 893 C ALA A 88 1.654 -12.981 -1.553 1.00 0.00 C ATOM 894 O ALA A 88 2.659 -12.296 -1.372 1.00 0.00 O ATOM 895 CB ALA A 88 -0.379 -11.523 -1.587 1.00 0.00 C ATOM 0 H ALA A 88 0.515 -11.269 0.720 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.286 -13.535 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.544 -11.815 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.339 -11.332 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.228 -10.618 -1.557 1.00 0.00 H new ATOM 901 N GLY A 89 1.635 -14.041 -2.355 1.00 0.00 N ATOM 902 CA GLY A 89 2.830 -14.451 -3.071 1.00 0.00 C ATOM 903 C GLY A 89 3.938 -14.900 -2.139 1.00 0.00 C ATOM 904 O GLY A 89 4.221 -14.245 -1.136 1.00 0.00 O ATOM 0 H GLY A 89 0.814 -14.623 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.581 -15.264 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.187 -13.622 -3.682 1.00 0.00 H new ATOM 908 N LYS A 90 4.567 -16.023 -2.469 1.00 0.00 N ATOM 909 CA LYS A 90 5.650 -16.562 -1.656 1.00 0.00 C ATOM 910 C LYS A 90 6.932 -16.691 -2.473 1.00 0.00 C ATOM 911 O LYS A 90 6.935 -16.457 -3.681 1.00 0.00 O ATOM 912 CB LYS A 90 5.257 -17.926 -1.084 1.00 0.00 C ATOM 913 CG LYS A 90 5.130 -19.013 -2.137 1.00 0.00 C ATOM 914 CD LYS A 90 4.271 -20.166 -1.647 1.00 0.00 C ATOM 915 CE LYS A 90 4.203 -21.286 -2.673 1.00 0.00 C ATOM 916 NZ LYS A 90 5.426 -22.135 -2.651 1.00 0.00 N ATOM 0 H LYS A 90 4.345 -16.578 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 90 5.832 -15.870 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.001 -18.230 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.308 -17.830 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.694 -18.593 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.121 -19.383 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.677 -20.552 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.265 -19.806 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.328 -21.905 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.075 -20.860 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.340 -22.886 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.259 -21.550 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.535 -22.563 -1.709 1.00 0.00 H new ATOM 930 N GLY A 91 8.019 -17.067 -1.806 1.00 0.00 N ATOM 931 CA GLY A 91 9.291 -17.222 -2.487 1.00 0.00 C ATOM 932 C GLY A 91 9.868 -18.615 -2.327 1.00 0.00 C ATOM 933 O GLY A 91 9.214 -19.618 -2.613 1.00 0.00 O ATOM 0 H GLY A 91 8.041 -17.267 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.161 -17.006 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.000 -16.491 -2.097 1.00 0.00 H new ATOM 937 N PRO A 92 11.123 -18.689 -1.860 1.00 0.00 N ATOM 938 CA PRO A 92 11.816 -19.964 -1.654 1.00 0.00 C ATOM 939 C PRO A 92 11.233 -20.760 -0.491 1.00 0.00 C ATOM 940 O PRO A 92 11.040 -21.971 -0.591 1.00 0.00 O ATOM 941 CB PRO A 92 13.254 -19.540 -1.343 1.00 0.00 C ATOM 942 CG PRO A 92 13.131 -18.162 -0.791 1.00 0.00 C ATOM 943 CD PRO A 92 11.962 -17.535 -1.499 1.00 0.00 C ATOM 0 HA PRO A 92 11.728 -20.620 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.719 -20.215 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.874 -19.554 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.967 -18.186 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.043 -17.590 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.429 -16.837 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.278 -16.977 -2.380 1.00 0.00 H new ATOM 951 N GLN A 93 10.953 -20.070 0.611 1.00 0.00 N ATOM 952 CA GLN A 93 10.392 -20.714 1.792 1.00 0.00 C ATOM 953 C GLN A 93 9.002 -21.270 1.500 1.00 0.00 C ATOM 954 O GLN A 93 8.238 -20.689 0.729 1.00 0.00 O ATOM 955 CB GLN A 93 10.323 -19.722 2.955 1.00 0.00 C ATOM 956 CG GLN A 93 9.241 -18.667 2.791 1.00 0.00 C ATOM 957 CD GLN A 93 9.652 -17.550 1.852 1.00 0.00 C ATOM 958 OE1 GLN A 93 10.835 -17.372 1.561 1.00 0.00 O ATOM 959 NE2 GLN A 93 8.674 -16.789 1.373 1.00 0.00 N ATOM 0 H GLN A 93 11.106 -19.066 0.710 1.00 0.00 H new ATOM 0 HA GLN A 93 11.044 -21.542 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.146 -20.271 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.289 -19.227 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.334 -19.138 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.999 -18.246 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.707 -16.973 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.890 -16.021 0.737 1.00 0.00 H new ATOM 968 N THR A 94 8.680 -22.401 2.122 1.00 0.00 N ATOM 969 CA THR A 94 7.384 -23.037 1.928 1.00 0.00 C ATOM 970 C THR A 94 6.596 -23.090 3.232 1.00 0.00 C ATOM 971 O THR A 94 7.089 -23.587 4.245 1.00 0.00 O ATOM 972 CB THR A 94 7.536 -24.466 1.375 1.00 0.00 C ATOM 973 OG1 THR A 94 8.342 -24.450 0.191 1.00 0.00 O ATOM 974 CG2 THR A 94 6.177 -25.074 1.061 1.00 0.00 C ATOM 0 H THR A 94 9.300 -22.894 2.764 1.00 0.00 H new ATOM 0 HA THR A 94 6.841 -22.431 1.203 1.00 0.00 H new ATOM 0 HB THR A 94 8.021 -25.076 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.435 -25.363 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.311 -26.083 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.577 -25.112 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.668 -24.462 0.316 1.00 0.00 H new ATOM 982 N ASP A 95 5.372 -22.576 3.200 1.00 0.00 N ATOM 983 CA ASP A 95 4.515 -22.567 4.380 1.00 0.00 C ATOM 984 C ASP A 95 3.695 -23.850 4.466 1.00 0.00 C ATOM 985 O ASP A 95 3.453 -24.512 3.457 1.00 0.00 O ATOM 986 CB ASP A 95 3.585 -21.353 4.352 1.00 0.00 C ATOM 987 CG ASP A 95 2.419 -21.495 5.310 1.00 0.00 C ATOM 988 OD1 ASP A 95 1.451 -22.205 4.965 1.00 0.00 O ATOM 989 OD2 ASP A 95 2.475 -20.897 6.405 1.00 0.00 O ATOM 0 H ASP A 95 4.950 -22.160 2.370 1.00 0.00 H new ATOM 0 HA ASP A 95 5.153 -22.506 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.153 -20.458 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.205 -21.213 3.340 1.00 0.00 H new ATOM 994 N ASP A 96 3.272 -24.195 5.677 1.00 0.00 N ATOM 995 CA ASP A 96 2.479 -25.399 5.895 1.00 0.00 C ATOM 996 C ASP A 96 1.039 -25.044 6.254 1.00 0.00 C ATOM 997 O ASP A 96 0.764 -24.422 7.280 1.00 0.00 O ATOM 998 CB ASP A 96 3.099 -26.250 7.005 1.00 0.00 C ATOM 999 CG ASP A 96 3.519 -25.421 8.203 1.00 0.00 C ATOM 1000 OD1 ASP A 96 4.449 -24.600 8.061 1.00 0.00 O ATOM 1001 OD2 ASP A 96 2.917 -25.593 9.284 1.00 0.00 O ATOM 0 H ASP A 96 3.465 -23.658 6.523 1.00 0.00 H new ATOM 0 HA ASP A 96 2.473 -25.973 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.381 -27.006 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.966 -26.780 6.611 1.00 0.00 H new ATOM 1006 N PRO A 97 0.097 -25.447 5.388 1.00 0.00 N ATOM 1007 CA PRO A 97 -1.330 -25.182 5.592 1.00 0.00 C ATOM 1008 C PRO A 97 -1.910 -25.987 6.750 1.00 0.00 C ATOM 1009 O PRO A 97 -3.120 -25.978 6.980 1.00 0.00 O ATOM 1010 CB PRO A 97 -1.964 -25.616 4.268 1.00 0.00 C ATOM 1011 CG PRO A 97 -1.021 -26.624 3.709 1.00 0.00 C ATOM 1012 CD PRO A 97 0.352 -26.193 4.145 1.00 0.00 C ATOM 0 HA PRO A 97 -1.518 -24.140 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.954 -26.044 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.086 -24.770 3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.253 -27.623 4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.091 -26.663 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.006 -27.048 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.835 -25.568 3.393 1.00 0.00 H new ATOM 1020 N ARG A 98 -1.041 -26.683 7.475 1.00 0.00 N ATOM 1021 CA ARG A 98 -1.467 -27.495 8.608 1.00 0.00 C ATOM 1022 C ARG A 98 -2.728 -26.918 9.246 1.00 0.00 C ATOM 1023 O ARG A 98 -2.861 -25.703 9.392 1.00 0.00 O ATOM 1024 CB ARG A 98 -0.350 -27.582 9.649 1.00 0.00 C ATOM 1025 CG ARG A 98 0.009 -26.243 10.272 1.00 0.00 C ATOM 1026 CD ARG A 98 0.533 -26.410 11.689 1.00 0.00 C ATOM 1027 NE ARG A 98 1.037 -25.154 12.238 1.00 0.00 N ATOM 1028 CZ ARG A 98 1.164 -24.919 13.539 1.00 0.00 C ATOM 1029 NH1 ARG A 98 0.826 -25.850 14.421 1.00 0.00 N ATOM 1030 NH2 ARG A 98 1.631 -23.750 13.961 1.00 0.00 N ATOM 0 H ARG A 98 -0.037 -26.701 7.298 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.691 -28.497 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.653 -28.270 10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.539 -28.005 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.762 -25.746 9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.870 -25.598 10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.264 -26.791 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.330 -27.154 11.696 1.00 0.00 H new ATOM 0 HE ARG A 98 1.306 -24.417 11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.467 -26.750 14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.925 -25.666 15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.893 -23.032 13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.728 -23.570 14.960 1.00 0.00 H new ATOM 1044 N ASN A 99 -3.649 -27.798 9.624 1.00 0.00 N ATOM 1045 CA ASN A 99 -4.900 -27.376 10.245 1.00 0.00 C ATOM 1046 C ASN A 99 -5.005 -27.907 11.671 1.00 0.00 C ATOM 1047 O ASN A 99 -4.460 -28.963 11.994 1.00 0.00 O ATOM 1048 CB ASN A 99 -6.093 -27.860 9.419 1.00 0.00 C ATOM 1049 CG ASN A 99 -6.324 -29.353 9.557 1.00 0.00 C ATOM 1050 OD1 ASN A 99 -6.844 -29.821 10.570 1.00 0.00 O ATOM 1051 ND2 ASN A 99 -5.935 -30.108 8.536 1.00 0.00 N ATOM 0 H ASN A 99 -3.553 -28.807 9.511 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.910 -26.287 10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.990 -27.326 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.928 -27.616 8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.063 -31.119 8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.508 -29.677 7.716 1.00 0.00 H new ATOM 1058 N LYS A 100 -5.710 -27.169 12.521 1.00 0.00 N ATOM 1059 CA LYS A 100 -5.890 -27.565 13.913 1.00 0.00 C ATOM 1060 C LYS A 100 -6.243 -29.045 14.016 1.00 0.00 C ATOM 1061 O LYS A 100 -6.751 -29.640 13.065 1.00 0.00 O ATOM 1062 CB LYS A 100 -6.987 -26.722 14.567 1.00 0.00 C ATOM 1063 CG LYS A 100 -8.270 -26.659 13.758 1.00 0.00 C ATOM 1064 CD LYS A 100 -9.195 -27.819 14.088 1.00 0.00 C ATOM 1065 CE LYS A 100 -10.628 -27.526 13.671 1.00 0.00 C ATOM 1066 NZ LYS A 100 -11.429 -28.773 13.524 1.00 0.00 N ATOM 0 H LYS A 100 -6.167 -26.292 12.270 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.949 -27.396 14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.209 -27.131 15.553 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.613 -25.709 14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.781 -25.717 13.957 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.032 -26.674 12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.845 -28.720 13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.160 -28.020 15.159 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.097 -26.879 14.412 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.627 -26.981 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.399 -28.531 13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.996 -29.380 12.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.451 -29.280 14.432 1.00 0.00 H new ATOM 1080 N HIS A 101 -5.971 -29.634 15.176 1.00 0.00 N ATOM 1081 CA HIS A 101 -6.262 -31.046 15.404 1.00 0.00 C ATOM 1082 C HIS A 101 -7.715 -31.363 15.062 1.00 0.00 C ATOM 1083 O HIS A 101 -8.612 -30.557 15.310 1.00 0.00 O ATOM 1084 CB HIS A 101 -5.975 -31.419 16.859 1.00 0.00 C ATOM 1085 CG HIS A 101 -6.486 -30.416 17.847 1.00 0.00 C ATOM 1086 ND1 HIS A 101 -5.790 -29.276 18.190 1.00 0.00 N ATOM 1087 CD2 HIS A 101 -7.632 -30.386 18.565 1.00 0.00 C ATOM 1088 CE1 HIS A 101 -6.486 -28.589 19.078 1.00 0.00 C ATOM 1089 NE2 HIS A 101 -7.608 -29.240 19.323 1.00 0.00 N ATOM 0 H HIS A 101 -5.550 -29.156 15.973 1.00 0.00 H new ATOM 0 HA HIS A 101 -5.617 -31.635 14.752 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -6.425 -32.389 17.072 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.899 -31.531 16.991 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.419 -31.125 18.546 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.188 -27.653 19.527 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.338 -28.941 19.970 1.00 0.00 H new ATOM 1097 N LYS A 102 -7.940 -32.541 14.491 1.00 0.00 N ATOM 1098 CA LYS A 102 -9.283 -32.966 14.115 1.00 0.00 C ATOM 1099 C LYS A 102 -10.063 -33.445 15.334 1.00 0.00 C ATOM 1100 O LYS A 102 -9.707 -34.446 15.957 1.00 0.00 O ATOM 1101 CB LYS A 102 -9.213 -34.082 13.069 1.00 0.00 C ATOM 1102 CG LYS A 102 -10.536 -34.344 12.371 1.00 0.00 C ATOM 1103 CD LYS A 102 -10.607 -35.760 11.825 1.00 0.00 C ATOM 1104 CE LYS A 102 -10.835 -36.775 12.935 1.00 0.00 C ATOM 1105 NZ LYS A 102 -10.934 -38.163 12.405 1.00 0.00 N ATOM 0 H LYS A 102 -7.209 -33.219 14.278 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.802 -32.108 13.688 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.463 -33.822 12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.878 -35.000 13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.356 -34.181 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.666 -33.632 11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.414 -35.830 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.681 -35.995 11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.017 -36.718 13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.750 -36.526 13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.089 -38.825 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.730 -38.224 11.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.052 -38.411 11.913 1.00 0.00 H new ATOM 1119 N PHE A 103 -11.129 -32.726 15.670 1.00 0.00 N ATOM 1120 CA PHE A 103 -11.960 -33.079 16.815 1.00 0.00 C ATOM 1121 C PHE A 103 -12.811 -34.309 16.511 1.00 0.00 C ATOM 1122 O PHE A 103 -12.831 -34.800 15.382 1.00 0.00 O ATOM 1123 CB PHE A 103 -12.861 -31.904 17.199 1.00 0.00 C ATOM 1124 CG PHE A 103 -12.122 -30.770 17.852 1.00 0.00 C ATOM 1125 CD1 PHE A 103 -11.363 -30.986 18.991 1.00 0.00 C ATOM 1126 CD2 PHE A 103 -12.187 -29.490 17.327 1.00 0.00 C ATOM 1127 CE1 PHE A 103 -10.682 -29.945 19.594 1.00 0.00 C ATOM 1128 CE2 PHE A 103 -11.508 -28.446 17.925 1.00 0.00 C ATOM 1129 CZ PHE A 103 -10.755 -28.673 19.061 1.00 0.00 C ATOM 0 H PHE A 103 -11.438 -31.895 15.165 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.302 -33.312 17.652 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.362 -31.533 16.305 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.638 -32.259 17.876 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.303 -31.979 19.412 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -12.775 -29.306 16.440 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.093 -30.126 20.481 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.566 -27.453 17.505 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.225 -27.858 19.531 1.00 0.00 H new ATOM 1139 N ARG A 104 -13.512 -34.801 17.527 1.00 0.00 N ATOM 1140 CA ARG A 104 -14.363 -35.974 17.370 1.00 0.00 C ATOM 1141 C ARG A 104 -15.836 -35.576 17.327 1.00 0.00 C ATOM 1142 O ARG A 104 -16.334 -34.902 18.230 1.00 0.00 O ATOM 1143 CB ARG A 104 -14.124 -36.961 18.514 1.00 0.00 C ATOM 1144 CG ARG A 104 -14.672 -38.353 18.242 1.00 0.00 C ATOM 1145 CD ARG A 104 -13.763 -39.137 17.309 1.00 0.00 C ATOM 1146 NE ARG A 104 -14.455 -40.263 16.688 1.00 0.00 N ATOM 1147 CZ ARG A 104 -13.830 -41.283 16.111 1.00 0.00 C ATOM 1148 NH1 ARG A 104 -12.505 -41.318 16.076 1.00 0.00 N ATOM 1149 NH2 ARG A 104 -14.530 -42.271 15.568 1.00 0.00 N ATOM 0 H ARG A 104 -13.507 -34.406 18.467 1.00 0.00 H new ATOM 0 HA ARG A 104 -14.106 -36.454 16.426 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -13.053 -37.032 18.704 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -14.583 -36.570 19.422 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -14.782 -38.892 19.183 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -15.666 -38.274 17.802 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.381 -38.474 16.533 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.901 -39.504 17.867 1.00 0.00 H new ATOM 0 HE ARG A 104 -15.475 -40.266 16.698 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.964 -40.561 16.493 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.027 -42.102 15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.549 -42.248 15.593 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.049 -43.054 15.125 1.00 0.00 H new ATOM 1163 N LEU A 105 -16.527 -35.996 16.273 1.00 0.00 N ATOM 1164 CA LEU A 105 -17.942 -35.682 16.112 1.00 0.00 C ATOM 1165 C LEU A 105 -18.772 -36.324 17.220 1.00 0.00 C ATOM 1166 O LEU A 105 -18.234 -36.990 18.104 1.00 0.00 O ATOM 1167 CB LEU A 105 -18.438 -36.160 14.746 1.00 0.00 C ATOM 1168 CG LEU A 105 -18.469 -37.674 14.535 1.00 0.00 C ATOM 1169 CD1 LEU A 105 -19.730 -38.272 15.139 1.00 0.00 C ATOM 1170 CD2 LEU A 105 -18.376 -38.008 13.053 1.00 0.00 C ATOM 0 H LEU A 105 -16.130 -36.555 15.517 1.00 0.00 H new ATOM 0 HA LEU A 105 -18.059 -34.600 16.176 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.444 -35.771 14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -17.804 -35.719 13.977 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.607 -38.109 15.041 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.734 -39.350 14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -19.755 -38.064 16.209 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -20.606 -37.831 14.663 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.399 -39.090 12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -19.218 -37.560 12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -17.444 -37.614 12.649 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.370 7.749 -2.382 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.495 -6.764 0.746 1.00 0.00 ZN