USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 539 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 Single : A 19 SER OG : rot 180:sc=-0.000371 USER MOD Single : A 23 GLN : amide:sc= -10.7! C(o=-11!,f=-9.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.1!) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.0572 USER MOD Single : A 34 ASN : amide:sc= -1.19 X(o=-1.2,f=-1) USER MOD Single : A 36 ASN : amide:sc= -17.1! C(o=-17!,f=-27!) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.217 (180deg=-0.747) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.25) USER MOD Single : A 47 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-0.81) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -3.43 (180deg=-3.43) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.44! C(o=-5.4!,f=-9.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= -6.99! (180deg=-10.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -8.253 -12.741 1.710 1.00 0.00 N ATOM 2 CA GLU A 16 -7.337 -12.501 0.553 1.00 0.00 C ATOM 3 C GLU A 16 -7.213 -10.998 0.281 1.00 0.00 C ATOM 4 O GLU A 16 -8.170 -10.258 0.387 1.00 0.00 O ATOM 5 CB GLU A 16 -7.994 -13.206 -0.636 1.00 0.00 C ATOM 6 CG GLU A 16 -9.398 -12.639 -0.853 1.00 0.00 C ATOM 7 CD GLU A 16 -9.942 -13.114 -2.202 1.00 0.00 C ATOM 8 OE1 GLU A 16 -10.336 -14.265 -2.288 1.00 0.00 O ATOM 9 OE2 GLU A 16 -9.952 -12.319 -3.127 1.00 0.00 O ATOM 0 HA GLU A 16 -6.332 -12.877 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.391 -13.067 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.048 -14.279 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.059 -12.962 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.369 -11.550 -0.824 1.00 0.00 H new ATOM 16 N GLU A 17 -6.040 -10.544 -0.069 1.00 0.00 N ATOM 17 CA GLU A 17 -5.855 -9.090 -0.347 1.00 0.00 C ATOM 18 C GLU A 17 -6.767 -8.651 -1.494 1.00 0.00 C ATOM 19 O GLU A 17 -6.754 -9.225 -2.564 1.00 0.00 O ATOM 20 CB GLU A 17 -4.387 -8.942 -0.748 1.00 0.00 C ATOM 21 CG GLU A 17 -4.021 -10.029 -1.760 1.00 0.00 C ATOM 22 CD GLU A 17 -3.570 -9.380 -3.071 1.00 0.00 C ATOM 23 OE1 GLU A 17 -4.427 -8.905 -3.799 1.00 0.00 O ATOM 24 OE2 GLU A 17 -2.378 -9.369 -3.325 1.00 0.00 O ATOM 0 H GLU A 17 -5.202 -11.116 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.106 -8.473 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.215 -7.956 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.749 -9.021 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.225 -10.658 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.879 -10.677 -1.940 1.00 0.00 H new ATOM 31 N GLU A 18 -7.559 -7.637 -1.280 1.00 0.00 N ATOM 32 CA GLU A 18 -8.469 -7.164 -2.362 1.00 0.00 C ATOM 33 C GLU A 18 -8.153 -5.708 -2.719 1.00 0.00 C ATOM 34 O GLU A 18 -7.006 -5.318 -2.814 1.00 0.00 O ATOM 35 CB GLU A 18 -9.877 -7.290 -1.779 1.00 0.00 C ATOM 36 CG GLU A 18 -10.008 -6.382 -0.555 1.00 0.00 C ATOM 37 CD GLU A 18 -10.391 -7.223 0.663 1.00 0.00 C ATOM 38 OE1 GLU A 18 -11.213 -8.110 0.513 1.00 0.00 O ATOM 39 OE2 GLU A 18 -9.853 -6.964 1.728 1.00 0.00 O ATOM 0 H GLU A 18 -7.616 -7.116 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.360 -7.742 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.618 -7.015 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.075 -8.325 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.067 -5.863 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.764 -5.617 -0.735 1.00 0.00 H new ATOM 46 N SER A 19 -9.159 -4.899 -2.925 1.00 0.00 N ATOM 47 CA SER A 19 -8.907 -3.473 -3.283 1.00 0.00 C ATOM 48 C SER A 19 -9.715 -2.542 -2.375 1.00 0.00 C ATOM 49 O SER A 19 -10.058 -2.886 -1.260 1.00 0.00 O ATOM 50 CB SER A 19 -9.373 -3.347 -4.731 1.00 0.00 C ATOM 51 OG SER A 19 -10.793 -3.411 -4.773 1.00 0.00 O ATOM 0 H SER A 19 -10.142 -5.164 -2.861 1.00 0.00 H new ATOM 0 HA SER A 19 -7.860 -3.196 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.027 -2.405 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.943 -4.146 -5.335 1.00 0.00 H new ATOM 0 HG SER A 19 -11.097 -3.329 -5.701 1.00 0.00 H new ATOM 57 N PHE A 20 -10.018 -1.360 -2.841 1.00 0.00 N ATOM 58 CA PHE A 20 -10.800 -0.405 -2.004 1.00 0.00 C ATOM 59 C PHE A 20 -11.306 0.761 -2.858 1.00 0.00 C ATOM 60 O PHE A 20 -11.362 0.680 -4.069 1.00 0.00 O ATOM 61 CB PHE A 20 -9.811 0.095 -0.954 1.00 0.00 C ATOM 62 CG PHE A 20 -10.110 -0.563 0.370 1.00 0.00 C ATOM 63 CD1 PHE A 20 -11.218 -0.153 1.122 1.00 0.00 C ATOM 64 CD2 PHE A 20 -9.280 -1.584 0.845 1.00 0.00 C ATOM 65 CE1 PHE A 20 -11.495 -0.764 2.350 1.00 0.00 C ATOM 66 CE2 PHE A 20 -9.557 -2.197 2.074 1.00 0.00 C ATOM 67 CZ PHE A 20 -10.665 -1.786 2.826 1.00 0.00 C ATOM 0 H PHE A 20 -9.758 -1.015 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.677 -0.872 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.790 -0.131 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.882 1.178 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.859 0.635 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.426 -1.900 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.349 -0.447 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.917 -2.986 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 20 -10.879 -2.258 3.774 1.00 0.00 H new ATOM 77 N GLY A 21 -11.675 1.845 -2.231 1.00 0.00 N ATOM 78 CA GLY A 21 -12.176 3.019 -2.999 1.00 0.00 C ATOM 79 C GLY A 21 -11.018 3.663 -3.770 1.00 0.00 C ATOM 80 O GLY A 21 -10.421 3.038 -4.624 1.00 0.00 O ATOM 0 H GLY A 21 -11.651 1.968 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.958 2.706 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.623 3.746 -2.321 1.00 0.00 H new ATOM 84 N PRO A 22 -10.738 4.899 -3.443 1.00 0.00 N ATOM 85 CA PRO A 22 -9.643 5.636 -4.116 1.00 0.00 C ATOM 86 C PRO A 22 -8.274 5.195 -3.578 1.00 0.00 C ATOM 87 O PRO A 22 -7.281 5.239 -4.277 1.00 0.00 O ATOM 88 CB PRO A 22 -9.928 7.094 -3.771 1.00 0.00 C ATOM 89 CG PRO A 22 -10.723 7.057 -2.500 1.00 0.00 C ATOM 90 CD PRO A 22 -11.412 5.717 -2.427 1.00 0.00 C ATOM 0 HA PRO A 22 -9.607 5.457 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -9.002 7.654 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.486 7.584 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.072 7.199 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.455 7.865 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.316 5.275 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.478 5.808 -2.634 1.00 0.00 H new ATOM 98 N GLN A 23 -8.212 4.769 -2.344 1.00 0.00 N ATOM 99 CA GLN A 23 -6.905 4.323 -1.765 1.00 0.00 C ATOM 100 C GLN A 23 -5.862 5.428 -1.806 1.00 0.00 C ATOM 101 O GLN A 23 -4.706 5.169 -2.068 1.00 0.00 O ATOM 102 CB GLN A 23 -6.477 3.127 -2.615 1.00 0.00 C ATOM 103 CG GLN A 23 -7.304 1.905 -2.207 1.00 0.00 C ATOM 104 CD GLN A 23 -6.494 0.631 -2.447 1.00 0.00 C ATOM 105 OE1 GLN A 23 -5.356 0.532 -2.035 1.00 0.00 O ATOM 106 NE2 GLN A 23 -7.040 -0.359 -3.099 1.00 0.00 N ATOM 0 H GLN A 23 -9.009 4.710 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.006 4.060 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.624 3.345 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.415 2.927 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.583 1.977 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.230 1.872 -2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.996 -0.276 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.511 -1.216 -3.262 1.00 0.00 H new ATOM 115 N PRO A 24 -6.282 6.621 -1.484 1.00 0.00 N ATOM 116 CA PRO A 24 -5.334 7.745 -1.434 1.00 0.00 C ATOM 117 C PRO A 24 -4.388 7.489 -0.269 1.00 0.00 C ATOM 118 O PRO A 24 -4.383 8.192 0.723 1.00 0.00 O ATOM 119 CB PRO A 24 -6.223 8.965 -1.198 1.00 0.00 C ATOM 120 CG PRO A 24 -7.452 8.413 -0.556 1.00 0.00 C ATOM 121 CD PRO A 24 -7.644 7.033 -1.132 1.00 0.00 C ATOM 0 HA PRO A 24 -4.724 7.880 -2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.732 9.695 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.458 9.472 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.340 8.370 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.316 9.045 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.095 6.354 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.297 7.049 -2.004 1.00 0.00 H new ATOM 129 N ILE A 25 -3.592 6.459 -0.390 1.00 0.00 N ATOM 130 CA ILE A 25 -2.635 6.097 0.690 1.00 0.00 C ATOM 131 C ILE A 25 -1.487 7.103 0.751 1.00 0.00 C ATOM 132 O ILE A 25 -0.508 6.901 1.442 1.00 0.00 O ATOM 133 CB ILE A 25 -2.119 4.716 0.293 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.253 4.848 -0.961 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.302 3.793 -0.002 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.221 4.792 -0.565 1.00 0.00 C ATOM 0 H ILE A 25 -3.566 5.846 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.100 6.100 1.676 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.529 4.297 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.484 4.046 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.469 5.788 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.933 2.807 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.925 3.705 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.892 4.208 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.841 4.886 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.445 5.609 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.430 3.841 -0.076 1.00 0.00 H new ATOM 148 N SER A 26 -1.602 8.177 0.026 1.00 0.00 N ATOM 149 CA SER A 26 -0.525 9.212 0.026 1.00 0.00 C ATOM 150 C SER A 26 0.105 9.350 1.419 1.00 0.00 C ATOM 151 O SER A 26 1.225 8.946 1.640 1.00 0.00 O ATOM 152 CB SER A 26 -1.232 10.507 -0.370 1.00 0.00 C ATOM 153 OG SER A 26 -0.456 11.181 -1.354 1.00 0.00 O ATOM 0 H SER A 26 -2.401 8.387 -0.573 1.00 0.00 H new ATOM 0 HA SER A 26 0.287 8.955 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.226 10.288 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.366 11.144 0.504 1.00 0.00 H new ATOM 0 HG SER A 26 -0.906 12.012 -1.613 1.00 0.00 H new ATOM 159 N ARG A 27 -0.598 9.925 2.360 1.00 0.00 N ATOM 160 CA ARG A 27 -0.013 10.094 3.728 1.00 0.00 C ATOM 161 C ARG A 27 0.050 8.756 4.474 1.00 0.00 C ATOM 162 O ARG A 27 0.748 8.621 5.460 1.00 0.00 O ATOM 163 CB ARG A 27 -0.957 11.059 4.447 1.00 0.00 C ATOM 164 CG ARG A 27 -0.244 11.663 5.662 1.00 0.00 C ATOM 165 CD ARG A 27 -1.272 12.007 6.747 1.00 0.00 C ATOM 166 NE ARG A 27 -0.771 13.265 7.371 1.00 0.00 N ATOM 167 CZ ARG A 27 -1.185 13.621 8.560 1.00 0.00 C ATOM 168 NH1 ARG A 27 -2.048 12.882 9.205 1.00 0.00 N ATOM 169 NH2 ARG A 27 -0.737 14.721 9.103 1.00 0.00 N ATOM 0 H ARG A 27 -1.546 10.283 2.244 1.00 0.00 H new ATOM 0 HA ARG A 27 1.009 10.469 3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.272 11.850 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.858 10.534 4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.489 10.958 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.301 12.559 5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.265 12.147 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.352 11.207 7.483 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.103 13.850 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.402 12.024 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.368 13.163 10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.065 15.301 8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.059 15.000 10.030 1.00 0.00 H new ATOM 183 N LEU A 28 -0.675 7.769 4.028 1.00 0.00 N ATOM 184 CA LEU A 28 -0.652 6.452 4.732 1.00 0.00 C ATOM 185 C LEU A 28 0.768 5.878 4.774 1.00 0.00 C ATOM 186 O LEU A 28 1.432 5.923 5.790 1.00 0.00 O ATOM 187 CB LEU A 28 -1.572 5.546 3.910 1.00 0.00 C ATOM 188 CG LEU A 28 -2.988 5.595 4.485 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.998 4.978 5.885 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.453 7.050 4.564 1.00 0.00 C ATOM 0 H LEU A 28 -1.282 7.814 3.209 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.980 6.541 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.580 5.868 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.198 4.522 3.924 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.661 5.031 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.009 5.015 6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.667 3.941 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.325 5.538 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.462 7.088 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.778 7.613 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.450 7.488 3.566 1.00 0.00 H new ATOM 202 N GLU A 29 1.228 5.323 3.689 1.00 0.00 N ATOM 203 CA GLU A 29 2.595 4.721 3.679 1.00 0.00 C ATOM 204 C GLU A 29 3.670 5.768 3.358 1.00 0.00 C ATOM 205 O GLU A 29 4.792 5.667 3.815 1.00 0.00 O ATOM 206 CB GLU A 29 2.530 3.654 2.583 1.00 0.00 C ATOM 207 CG GLU A 29 2.596 4.316 1.209 1.00 0.00 C ATOM 208 CD GLU A 29 4.057 4.441 0.790 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.776 3.465 0.928 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.436 5.510 0.342 1.00 0.00 O ATOM 0 H GLU A 29 0.719 5.259 2.807 1.00 0.00 H new ATOM 0 HA GLU A 29 2.867 4.310 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.355 2.951 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.608 3.080 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.044 3.724 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.128 5.300 1.242 1.00 0.00 H new ATOM 217 N GLN A 30 3.354 6.767 2.583 1.00 0.00 N ATOM 218 CA GLN A 30 4.383 7.796 2.254 1.00 0.00 C ATOM 219 C GLN A 30 4.767 8.575 3.512 1.00 0.00 C ATOM 220 O GLN A 30 5.899 8.983 3.680 1.00 0.00 O ATOM 221 CB GLN A 30 3.723 8.722 1.238 1.00 0.00 C ATOM 222 CG GLN A 30 4.774 9.234 0.249 1.00 0.00 C ATOM 223 CD GLN A 30 5.538 10.402 0.873 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.997 11.139 1.673 1.00 0.00 O ATOM 225 NE2 GLN A 30 6.784 10.606 0.538 1.00 0.00 N ATOM 0 H GLN A 30 2.436 6.917 2.165 1.00 0.00 H new ATOM 0 HA GLN A 30 5.295 7.349 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.936 8.190 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.251 9.561 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.465 8.432 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.293 9.553 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.239 9.988 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.302 11.383 0.948 1.00 0.00 H new ATOM 234 N CYS A 31 3.839 8.773 4.405 1.00 0.00 N ATOM 235 CA CYS A 31 4.164 9.514 5.653 1.00 0.00 C ATOM 236 C CYS A 31 4.898 8.578 6.611 1.00 0.00 C ATOM 237 O CYS A 31 5.489 9.001 7.585 1.00 0.00 O ATOM 238 CB CYS A 31 2.815 9.932 6.237 1.00 0.00 C ATOM 239 SG CYS A 31 3.042 11.359 7.328 1.00 0.00 S ATOM 0 H CYS A 31 2.873 8.455 4.325 1.00 0.00 H new ATOM 0 HA CYS A 31 4.804 10.378 5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.121 10.182 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.375 9.103 6.792 1.00 0.00 H new ATOM 0 HG CYS A 31 1.893 11.714 7.822 1.00 0.00 H new ATOM 245 N GLY A 32 4.877 7.302 6.326 1.00 0.00 N ATOM 246 CA GLY A 32 5.585 6.330 7.203 1.00 0.00 C ATOM 247 C GLY A 32 4.591 5.354 7.837 1.00 0.00 C ATOM 248 O GLY A 32 4.370 5.379 9.031 1.00 0.00 O ATOM 0 H GLY A 32 4.399 6.893 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.324 5.779 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.127 6.864 7.984 1.00 0.00 H new ATOM 252 N ILE A 33 4.008 4.474 7.064 1.00 0.00 N ATOM 253 CA ILE A 33 3.065 3.491 7.661 1.00 0.00 C ATOM 254 C ILE A 33 3.888 2.341 8.255 1.00 0.00 C ATOM 255 O ILE A 33 4.806 2.559 9.020 1.00 0.00 O ATOM 256 CB ILE A 33 2.158 3.026 6.500 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.971 2.247 7.070 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.938 2.126 5.519 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.328 2.800 6.482 1.00 0.00 C ATOM 0 H ILE A 33 4.144 4.396 6.056 1.00 0.00 H new ATOM 0 HA ILE A 33 2.453 3.900 8.465 1.00 0.00 H new ATOM 0 HB ILE A 33 1.807 3.904 5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.069 1.188 6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.956 2.330 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.278 1.811 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.779 2.682 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.309 1.248 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.175 2.246 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.425 3.854 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.310 2.694 5.397 1.00 0.00 H new ATOM 271 N ASN A 34 3.590 1.130 7.902 1.00 0.00 N ATOM 272 CA ASN A 34 4.376 -0.020 8.434 1.00 0.00 C ATOM 273 C ASN A 34 5.701 -0.134 7.661 1.00 0.00 C ATOM 274 O ASN A 34 6.475 0.800 7.613 1.00 0.00 O ATOM 275 CB ASN A 34 3.488 -1.243 8.199 1.00 0.00 C ATOM 276 CG ASN A 34 4.031 -2.434 8.991 1.00 0.00 C ATOM 277 OD1 ASN A 34 4.184 -3.515 8.458 1.00 0.00 O ATOM 278 ND2 ASN A 34 4.333 -2.282 10.253 1.00 0.00 N ATOM 0 H ASN A 34 2.833 0.880 7.265 1.00 0.00 H new ATOM 0 HA ASN A 34 4.632 0.087 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.465 -1.026 8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.458 -1.484 7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.697 -3.070 10.789 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.205 -1.375 10.702 1.00 0.00 H new ATOM 285 N ALA A 35 5.968 -1.260 7.047 1.00 0.00 N ATOM 286 CA ALA A 35 7.240 -1.403 6.278 1.00 0.00 C ATOM 287 C ALA A 35 7.078 -0.813 4.884 1.00 0.00 C ATOM 288 O ALA A 35 8.040 -0.480 4.221 1.00 0.00 O ATOM 289 CB ALA A 35 7.476 -2.907 6.161 1.00 0.00 C ATOM 0 H ALA A 35 5.363 -2.081 7.045 1.00 0.00 H new ATOM 0 HA ALA A 35 8.066 -0.888 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.396 -3.089 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.562 -3.340 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.639 -3.367 5.636 1.00 0.00 H new ATOM 295 N ASN A 36 5.867 -0.707 4.423 1.00 0.00 N ATOM 296 CA ASN A 36 5.645 -0.169 3.059 1.00 0.00 C ATOM 297 C ASN A 36 6.519 1.048 2.801 1.00 0.00 C ATOM 298 O ASN A 36 7.312 1.057 1.881 1.00 0.00 O ATOM 299 CB ASN A 36 4.177 0.247 2.993 1.00 0.00 C ATOM 300 CG ASN A 36 3.273 -0.967 3.191 1.00 0.00 C ATOM 301 OD1 ASN A 36 2.905 -1.626 2.240 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.890 -1.286 4.398 1.00 0.00 N ATOM 0 H ASN A 36 5.023 -0.970 4.932 1.00 0.00 H new ATOM 0 HA ASN A 36 5.896 -0.921 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.969 0.993 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.967 0.712 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.280 -2.091 4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.201 -0.731 5.195 1.00 0.00 H new ATOM 309 N ASP A 37 6.351 2.078 3.585 1.00 0.00 N ATOM 310 CA ASP A 37 7.143 3.328 3.386 1.00 0.00 C ATOM 311 C ASP A 37 8.480 3.030 2.705 1.00 0.00 C ATOM 312 O ASP A 37 8.680 3.327 1.540 1.00 0.00 O ATOM 313 CB ASP A 37 7.379 3.865 4.798 1.00 0.00 C ATOM 314 CG ASP A 37 8.442 4.967 4.760 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.569 4.665 4.402 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.112 6.093 5.093 1.00 0.00 O ATOM 0 H ASP A 37 5.692 2.108 4.363 1.00 0.00 H new ATOM 0 HA ASP A 37 6.622 4.040 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.449 4.258 5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.702 3.058 5.455 1.00 0.00 H new ATOM 321 N VAL A 38 9.384 2.446 3.434 1.00 0.00 N ATOM 322 CA VAL A 38 10.730 2.125 2.882 1.00 0.00 C ATOM 323 C VAL A 38 10.678 1.313 1.580 1.00 0.00 C ATOM 324 O VAL A 38 11.184 1.735 0.564 1.00 0.00 O ATOM 325 CB VAL A 38 11.401 1.296 3.979 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.846 0.988 3.579 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.394 2.083 5.291 1.00 0.00 C ATOM 0 H VAL A 38 9.247 2.172 4.407 1.00 0.00 H new ATOM 0 HA VAL A 38 11.264 3.040 2.626 1.00 0.00 H new ATOM 0 HB VAL A 38 10.854 0.362 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.322 0.397 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.853 0.426 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.393 1.921 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.872 1.492 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.939 3.017 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.366 2.301 5.579 1.00 0.00 H new ATOM 337 N LYS A 39 10.130 0.131 1.602 1.00 0.00 N ATOM 338 CA LYS A 39 10.143 -0.698 0.360 1.00 0.00 C ATOM 339 C LYS A 39 9.023 -0.330 -0.609 1.00 0.00 C ATOM 340 O LYS A 39 9.258 -0.087 -1.780 1.00 0.00 O ATOM 341 CB LYS A 39 9.955 -2.132 0.854 1.00 0.00 C ATOM 342 CG LYS A 39 11.283 -2.666 1.393 1.00 0.00 C ATOM 343 CD LYS A 39 11.304 -2.528 2.917 1.00 0.00 C ATOM 344 CE LYS A 39 10.150 -3.332 3.518 1.00 0.00 C ATOM 345 NZ LYS A 39 10.794 -4.527 4.129 1.00 0.00 N ATOM 0 H LYS A 39 9.679 -0.294 2.412 1.00 0.00 H new ATOM 0 HA LYS A 39 11.068 -0.546 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.195 -2.162 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.600 -2.764 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.410 -3.711 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.115 -2.114 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.255 -2.886 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.216 -1.479 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.609 -2.750 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.428 -3.620 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.225 -4.853 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.858 -5.286 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.749 -4.277 4.457 1.00 0.00 H new ATOM 359 N LYS A 40 7.810 -0.329 -0.150 1.00 0.00 N ATOM 360 CA LYS A 40 6.679 -0.034 -1.063 1.00 0.00 C ATOM 361 C LYS A 40 6.937 1.204 -1.929 1.00 0.00 C ATOM 362 O LYS A 40 6.975 1.124 -3.138 1.00 0.00 O ATOM 363 CB LYS A 40 5.477 0.217 -0.166 1.00 0.00 C ATOM 364 CG LYS A 40 4.372 -0.797 -0.485 1.00 0.00 C ATOM 365 CD LYS A 40 3.312 -0.147 -1.378 1.00 0.00 C ATOM 366 CE LYS A 40 2.856 1.174 -0.754 1.00 0.00 C ATOM 367 NZ LYS A 40 1.503 1.425 -1.326 1.00 0.00 N ATOM 0 H LYS A 40 7.551 -0.520 0.818 1.00 0.00 H new ATOM 0 HA LYS A 40 6.528 -0.866 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.769 0.134 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.107 1.231 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.798 -1.667 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.914 -1.152 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.719 0.031 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.461 -0.818 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.818 1.104 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.544 1.984 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.362 2.448 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.423 0.951 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.778 1.051 -0.681 1.00 0.00 H new ATOM 381 N LEU A 41 7.054 2.357 -1.324 1.00 0.00 N ATOM 382 CA LEU A 41 7.218 3.607 -2.133 1.00 0.00 C ATOM 383 C LEU A 41 8.661 3.936 -2.527 1.00 0.00 C ATOM 384 O LEU A 41 8.878 4.796 -3.356 1.00 0.00 O ATOM 385 CB LEU A 41 6.670 4.713 -1.226 1.00 0.00 C ATOM 386 CG LEU A 41 7.777 5.230 -0.296 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.391 6.503 -0.881 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.192 5.538 1.082 1.00 0.00 C ATOM 0 H LEU A 41 7.044 2.490 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 41 6.701 3.495 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.282 5.532 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.837 4.331 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 41 8.548 4.465 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.176 6.866 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.816 6.285 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.619 7.266 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.981 5.905 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.417 6.298 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.760 4.631 1.505 1.00 0.00 H new ATOM 400 N GLU A 42 9.656 3.359 -1.923 1.00 0.00 N ATOM 401 CA GLU A 42 11.022 3.806 -2.302 1.00 0.00 C ATOM 402 C GLU A 42 11.560 3.157 -3.580 1.00 0.00 C ATOM 403 O GLU A 42 12.157 3.832 -4.397 1.00 0.00 O ATOM 404 CB GLU A 42 11.921 3.477 -1.115 1.00 0.00 C ATOM 405 CG GLU A 42 13.200 4.311 -1.203 1.00 0.00 C ATOM 406 CD GLU A 42 13.691 4.646 0.205 1.00 0.00 C ATOM 407 OE1 GLU A 42 12.884 4.604 1.118 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.867 4.939 0.347 1.00 0.00 O ATOM 0 H GLU A 42 9.593 2.629 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 42 10.997 4.872 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.400 3.686 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.165 2.415 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.969 3.761 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.011 5.228 -1.761 1.00 0.00 H new ATOM 415 N GLU A 43 11.392 1.883 -3.789 1.00 0.00 N ATOM 416 CA GLU A 43 11.944 1.302 -5.030 1.00 0.00 C ATOM 417 C GLU A 43 11.065 1.725 -6.212 1.00 0.00 C ATOM 418 O GLU A 43 11.487 1.708 -7.352 1.00 0.00 O ATOM 419 CB GLU A 43 11.930 -0.211 -4.771 1.00 0.00 C ATOM 420 CG GLU A 43 11.536 -0.979 -6.028 1.00 0.00 C ATOM 421 CD GLU A 43 12.505 -2.145 -6.245 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.427 -2.279 -5.456 1.00 0.00 O ATOM 423 OE2 GLU A 43 12.310 -2.882 -7.196 1.00 0.00 O ATOM 0 H GLU A 43 10.907 1.236 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 43 12.951 1.635 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.916 -0.535 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.230 -0.439 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.517 -1.353 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.552 -0.315 -6.892 1.00 0.00 H new ATOM 430 N ALA A 44 9.852 2.112 -5.946 1.00 0.00 N ATOM 431 CA ALA A 44 8.950 2.542 -7.048 1.00 0.00 C ATOM 432 C ALA A 44 8.285 3.870 -6.693 1.00 0.00 C ATOM 433 O ALA A 44 8.626 4.909 -7.223 1.00 0.00 O ATOM 434 CB ALA A 44 7.904 1.441 -7.145 1.00 0.00 C ATOM 0 H ALA A 44 9.445 2.150 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 44 9.483 2.690 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.196 1.681 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.393 0.493 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.373 1.359 -6.197 1.00 0.00 H new ATOM 440 N GLY A 45 7.339 3.844 -5.795 1.00 0.00 N ATOM 441 CA GLY A 45 6.660 5.109 -5.405 1.00 0.00 C ATOM 442 C GLY A 45 5.142 4.939 -5.476 1.00 0.00 C ATOM 443 O GLY A 45 4.451 5.745 -6.068 1.00 0.00 O ATOM 0 H GLY A 45 7.009 3.005 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.954 5.391 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.974 5.917 -6.066 1.00 0.00 H new ATOM 447 N PHE A 46 4.606 3.913 -4.865 1.00 0.00 N ATOM 448 CA PHE A 46 3.105 3.752 -4.911 1.00 0.00 C ATOM 449 C PHE A 46 2.460 4.529 -3.763 1.00 0.00 C ATOM 450 O PHE A 46 1.366 4.222 -3.336 1.00 0.00 O ATOM 451 CB PHE A 46 2.782 2.265 -4.749 1.00 0.00 C ATOM 452 CG PHE A 46 3.775 1.431 -5.498 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.955 1.076 -4.867 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.519 1.014 -6.808 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.896 0.301 -5.531 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.462 0.230 -7.483 1.00 0.00 C ATOM 457 CZ PHE A 46 5.654 -0.128 -6.843 1.00 0.00 C ATOM 0 H PHE A 46 5.116 3.196 -4.349 1.00 0.00 H new ATOM 0 HA PHE A 46 2.720 4.133 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.795 1.996 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.776 2.063 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.144 1.403 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.598 1.296 -7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.816 0.028 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.270 -0.097 -8.494 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.385 -0.733 -7.359 1.00 0.00 H new ATOM 467 N HIS A 47 3.138 5.517 -3.254 1.00 0.00 N ATOM 468 CA HIS A 47 2.575 6.311 -2.122 1.00 0.00 C ATOM 469 C HIS A 47 1.294 7.047 -2.536 1.00 0.00 C ATOM 470 O HIS A 47 1.205 8.253 -2.423 1.00 0.00 O ATOM 471 CB HIS A 47 3.670 7.317 -1.773 1.00 0.00 C ATOM 472 CG HIS A 47 4.149 7.995 -3.027 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.495 8.164 -3.309 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.472 8.554 -4.083 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.585 8.801 -4.492 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.382 9.062 -5.006 1.00 0.00 N ATOM 0 H HIS A 47 4.061 5.812 -3.572 1.00 0.00 H new ATOM 0 HA HIS A 47 2.303 5.673 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.287 8.057 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.500 6.810 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.397 8.594 -4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.518 9.068 -4.967 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.174 9.533 -5.887 1.00 0.00 H new ATOM 484 N THR A 48 0.299 6.340 -3.004 1.00 0.00 N ATOM 485 CA THR A 48 -0.968 7.020 -3.410 1.00 0.00 C ATOM 486 C THR A 48 -2.001 6.007 -3.920 1.00 0.00 C ATOM 487 O THR A 48 -1.769 4.814 -3.933 1.00 0.00 O ATOM 488 CB THR A 48 -0.564 7.970 -4.541 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.704 8.700 -4.971 1.00 0.00 O ATOM 490 CG2 THR A 48 -0.001 7.163 -5.714 1.00 0.00 C ATOM 0 H THR A 48 0.307 5.327 -3.123 1.00 0.00 H new ATOM 0 HA THR A 48 -1.429 7.540 -2.570 1.00 0.00 H new ATOM 0 HB THR A 48 0.198 8.661 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.448 9.310 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.286 7.841 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.873 6.602 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.761 6.471 -6.077 1.00 0.00 H new ATOM 498 N VAL A 49 -3.143 6.490 -4.343 1.00 0.00 N ATOM 499 CA VAL A 49 -4.218 5.590 -4.870 1.00 0.00 C ATOM 500 C VAL A 49 -3.624 4.428 -5.671 1.00 0.00 C ATOM 501 O VAL A 49 -4.221 3.376 -5.782 1.00 0.00 O ATOM 502 CB VAL A 49 -5.063 6.476 -5.783 1.00 0.00 C ATOM 503 CG1 VAL A 49 -6.068 5.608 -6.546 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.817 7.503 -4.936 1.00 0.00 C ATOM 0 H VAL A 49 -3.380 7.482 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.799 5.146 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.416 6.992 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.672 6.239 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.532 4.873 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.716 5.093 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.421 8.137 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.465 6.986 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.103 8.119 -4.390 1.00 0.00 H new ATOM 514 N GLU A 50 -2.461 4.610 -6.235 1.00 0.00 N ATOM 515 CA GLU A 50 -1.829 3.519 -7.032 1.00 0.00 C ATOM 516 C GLU A 50 -2.053 2.143 -6.387 1.00 0.00 C ATOM 517 O GLU A 50 -1.996 1.131 -7.056 1.00 0.00 O ATOM 518 CB GLU A 50 -0.338 3.863 -7.051 1.00 0.00 C ATOM 519 CG GLU A 50 -0.030 4.737 -8.268 1.00 0.00 C ATOM 520 CD GLU A 50 1.075 5.736 -7.918 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.111 5.303 -7.448 1.00 0.00 O ATOM 522 OE2 GLU A 50 0.864 6.920 -8.130 1.00 0.00 O ATOM 0 H GLU A 50 -1.918 5.472 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.259 3.455 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.063 4.387 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.256 2.950 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.282 4.114 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.928 5.269 -8.583 1.00 0.00 H new ATOM 529 N ALA A 51 -2.304 2.078 -5.104 1.00 0.00 N ATOM 530 CA ALA A 51 -2.522 0.748 -4.468 1.00 0.00 C ATOM 531 C ALA A 51 -3.843 0.137 -4.948 1.00 0.00 C ATOM 532 O ALA A 51 -4.714 -0.177 -4.162 1.00 0.00 O ATOM 533 CB ALA A 51 -2.572 1.033 -2.969 1.00 0.00 C ATOM 0 H ALA A 51 -2.367 2.880 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.738 0.035 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.731 0.101 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.630 1.482 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.391 1.720 -2.756 1.00 0.00 H new ATOM 539 N VAL A 52 -3.997 -0.037 -6.233 1.00 0.00 N ATOM 540 CA VAL A 52 -5.262 -0.628 -6.759 1.00 0.00 C ATOM 541 C VAL A 52 -4.997 -1.371 -8.073 1.00 0.00 C ATOM 542 O VAL A 52 -4.884 -2.580 -8.101 1.00 0.00 O ATOM 543 CB VAL A 52 -6.189 0.565 -6.994 1.00 0.00 C ATOM 544 CG1 VAL A 52 -7.347 0.147 -7.903 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.744 1.049 -5.654 1.00 0.00 C ATOM 0 H VAL A 52 -3.303 0.204 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.696 -1.352 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.628 1.369 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.006 1.000 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.953 -0.198 -8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.908 -0.659 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.405 1.900 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.303 0.243 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.920 1.350 -5.007 1.00 0.00 H new ATOM 555 N ALA A 53 -4.906 -0.655 -9.161 1.00 0.00 N ATOM 556 CA ALA A 53 -4.660 -1.325 -10.472 1.00 0.00 C ATOM 557 C ALA A 53 -3.355 -0.824 -11.098 1.00 0.00 C ATOM 558 O ALA A 53 -3.036 -1.143 -12.227 1.00 0.00 O ATOM 559 CB ALA A 53 -5.855 -0.934 -11.341 1.00 0.00 C ATOM 0 H ALA A 53 -4.991 0.361 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.561 -2.406 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.752 -1.387 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.775 -1.286 -10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.892 0.151 -11.443 1.00 0.00 H new ATOM 565 N TYR A 54 -2.596 -0.047 -10.378 1.00 0.00 N ATOM 566 CA TYR A 54 -1.312 0.466 -10.938 1.00 0.00 C ATOM 567 C TYR A 54 -0.224 -0.607 -10.832 1.00 0.00 C ATOM 568 O TYR A 54 0.704 -0.644 -11.615 1.00 0.00 O ATOM 569 CB TYR A 54 -0.960 1.677 -10.076 1.00 0.00 C ATOM 570 CG TYR A 54 -0.392 2.769 -10.950 1.00 0.00 C ATOM 571 CD1 TYR A 54 0.881 2.626 -11.515 1.00 0.00 C ATOM 572 CD2 TYR A 54 -1.141 3.925 -11.195 1.00 0.00 C ATOM 573 CE1 TYR A 54 1.405 3.642 -12.324 1.00 0.00 C ATOM 574 CE2 TYR A 54 -0.617 4.941 -12.004 1.00 0.00 C ATOM 575 CZ TYR A 54 0.656 4.800 -12.569 1.00 0.00 C ATOM 576 OH TYR A 54 1.172 5.801 -13.365 1.00 0.00 O ATOM 0 H TYR A 54 -2.807 0.256 -9.427 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.396 0.729 -11.992 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.848 2.037 -9.556 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.236 1.395 -9.312 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.458 1.733 -11.327 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.124 4.034 -10.760 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.387 3.533 -12.759 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.195 5.834 -12.192 1.00 0.00 H new ATOM 0 HH TYR A 54 0.523 6.532 -13.433 1.00 0.00 H new ATOM 586 N ALA A 55 -0.334 -1.481 -9.871 1.00 0.00 N ATOM 587 CA ALA A 55 0.689 -2.554 -9.716 1.00 0.00 C ATOM 588 C ALA A 55 0.191 -3.613 -8.732 1.00 0.00 C ATOM 589 O ALA A 55 -0.302 -3.289 -7.669 1.00 0.00 O ATOM 590 CB ALA A 55 1.928 -1.851 -9.156 1.00 0.00 C ATOM 0 H ALA A 55 -1.089 -1.499 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 55 0.900 -3.060 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.727 -2.579 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.257 -1.082 -9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.683 -1.390 -8.199 1.00 0.00 H new ATOM 596 N PRO A 56 0.349 -4.851 -9.114 1.00 0.00 N ATOM 597 CA PRO A 56 -0.078 -5.971 -8.243 1.00 0.00 C ATOM 598 C PRO A 56 0.811 -6.024 -7.007 1.00 0.00 C ATOM 599 O PRO A 56 1.929 -6.491 -7.053 1.00 0.00 O ATOM 600 CB PRO A 56 0.092 -7.203 -9.131 1.00 0.00 C ATOM 601 CG PRO A 56 1.105 -6.804 -10.156 1.00 0.00 C ATOM 602 CD PRO A 56 0.941 -5.320 -10.370 1.00 0.00 C ATOM 0 HA PRO A 56 -1.099 -5.883 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.432 -8.062 -8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.851 -7.486 -9.598 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.114 -7.037 -9.815 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.949 -7.349 -11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.897 -4.836 -10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.294 -5.107 -11.221 1.00 0.00 H new ATOM 610 N LYS A 57 0.312 -5.517 -5.907 1.00 0.00 N ATOM 611 CA LYS A 57 1.108 -5.499 -4.640 1.00 0.00 C ATOM 612 C LYS A 57 2.011 -6.727 -4.560 1.00 0.00 C ATOM 613 O LYS A 57 3.182 -6.626 -4.272 1.00 0.00 O ATOM 614 CB LYS A 57 0.087 -5.537 -3.499 1.00 0.00 C ATOM 615 CG LYS A 57 -1.065 -4.570 -3.780 1.00 0.00 C ATOM 616 CD LYS A 57 -2.267 -5.357 -4.305 1.00 0.00 C ATOM 617 CE LYS A 57 -3.178 -5.755 -3.140 1.00 0.00 C ATOM 618 NZ LYS A 57 -2.279 -6.373 -2.123 1.00 0.00 N ATOM 0 H LYS A 57 -0.621 -5.111 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 57 1.745 -4.616 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.300 -6.549 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.572 -5.271 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.336 -4.034 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.758 -3.822 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.823 -4.753 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.927 -6.248 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.694 -4.886 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.945 -6.458 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.839 -6.668 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.807 -7.203 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.563 -5.680 -1.825 1.00 0.00 H new ATOM 632 N LYS A 58 1.471 -7.885 -4.822 1.00 0.00 N ATOM 633 CA LYS A 58 2.299 -9.126 -4.763 1.00 0.00 C ATOM 634 C LYS A 58 3.614 -8.915 -5.518 1.00 0.00 C ATOM 635 O LYS A 58 4.666 -9.364 -5.109 1.00 0.00 O ATOM 636 CB LYS A 58 1.447 -10.193 -5.449 1.00 0.00 C ATOM 637 CG LYS A 58 0.936 -11.192 -4.409 1.00 0.00 C ATOM 638 CD LYS A 58 0.648 -12.533 -5.088 1.00 0.00 C ATOM 639 CE LYS A 58 -0.565 -12.388 -6.010 1.00 0.00 C ATOM 640 NZ LYS A 58 -0.135 -12.981 -7.308 1.00 0.00 N ATOM 0 H LYS A 58 0.493 -8.027 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 58 2.562 -9.407 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.607 -9.726 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.036 -10.711 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.677 -11.323 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.031 -10.810 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.517 -12.857 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.458 -13.300 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.433 -12.909 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.848 -11.342 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.915 -12.919 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.688 -12.460 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.122 -13.979 -7.166 1.00 0.00 H new ATOM 654 N GLU A 59 3.561 -8.218 -6.611 1.00 0.00 N ATOM 655 CA GLU A 59 4.803 -7.957 -7.391 1.00 0.00 C ATOM 656 C GLU A 59 5.579 -6.829 -6.732 1.00 0.00 C ATOM 657 O GLU A 59 6.724 -6.979 -6.363 1.00 0.00 O ATOM 658 CB GLU A 59 4.324 -7.535 -8.778 1.00 0.00 C ATOM 659 CG GLU A 59 5.474 -6.873 -9.541 1.00 0.00 C ATOM 660 CD GLU A 59 5.282 -7.088 -11.044 1.00 0.00 C ATOM 661 OE1 GLU A 59 4.175 -6.886 -11.515 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.247 -7.452 -11.697 1.00 0.00 O ATOM 0 H GLU A 59 2.710 -7.815 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 59 5.459 -8.826 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.962 -8.403 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.487 -6.842 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.507 -5.807 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.427 -7.295 -9.222 1.00 0.00 H new ATOM 669 N LEU A 60 4.961 -5.700 -6.566 1.00 0.00 N ATOM 670 CA LEU A 60 5.669 -4.575 -5.917 1.00 0.00 C ATOM 671 C LEU A 60 6.356 -5.091 -4.647 1.00 0.00 C ATOM 672 O LEU A 60 7.550 -4.962 -4.479 1.00 0.00 O ATOM 673 CB LEU A 60 4.563 -3.535 -5.627 1.00 0.00 C ATOM 674 CG LEU A 60 4.489 -3.167 -4.136 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.834 -2.610 -3.666 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.406 -2.105 -3.938 1.00 0.00 C ATOM 0 H LEU A 60 4.000 -5.509 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 60 6.455 -4.128 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.750 -2.635 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.600 -3.931 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 60 4.250 -4.058 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.772 -2.352 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.610 -3.362 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.080 -1.719 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.347 -1.838 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.654 -1.219 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.445 -2.500 -4.267 1.00 0.00 H new ATOM 688 N ILE A 61 5.607 -5.668 -3.751 1.00 0.00 N ATOM 689 CA ILE A 61 6.213 -6.182 -2.492 1.00 0.00 C ATOM 690 C ILE A 61 7.396 -7.066 -2.825 1.00 0.00 C ATOM 691 O ILE A 61 8.358 -7.139 -2.087 1.00 0.00 O ATOM 692 CB ILE A 61 5.116 -6.994 -1.847 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.710 -8.098 -2.826 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.937 -6.067 -1.544 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.610 -9.320 -2.603 1.00 0.00 C ATOM 0 H ILE A 61 4.600 -5.806 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 61 6.574 -5.387 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 61 5.448 -7.448 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.665 -8.368 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.804 -7.744 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.135 -6.639 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.260 -5.276 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.574 -5.624 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.327 -10.112 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.650 -9.042 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.493 -9.676 -1.579 1.00 0.00 H new ATOM 707 N ASN A 62 7.351 -7.727 -3.947 1.00 0.00 N ATOM 708 CA ASN A 62 8.500 -8.582 -4.322 1.00 0.00 C ATOM 709 C ASN A 62 9.793 -7.759 -4.241 1.00 0.00 C ATOM 710 O ASN A 62 10.878 -8.306 -4.289 1.00 0.00 O ATOM 711 CB ASN A 62 8.211 -9.064 -5.757 1.00 0.00 C ATOM 712 CG ASN A 62 8.923 -8.180 -6.789 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.050 -6.987 -6.599 1.00 0.00 O ATOM 714 ND2 ASN A 62 9.393 -8.721 -7.881 1.00 0.00 N ATOM 0 H ASN A 62 6.577 -7.711 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 62 8.629 -9.435 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.539 -10.097 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.137 -9.049 -5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.867 -8.142 -8.574 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.286 -9.723 -8.041 1.00 0.00 H new ATOM 721 N ILE A 63 9.703 -6.447 -4.110 1.00 0.00 N ATOM 722 CA ILE A 63 10.959 -5.651 -4.023 1.00 0.00 C ATOM 723 C ILE A 63 11.934 -6.324 -3.060 1.00 0.00 C ATOM 724 O ILE A 63 12.729 -7.160 -3.441 1.00 0.00 O ATOM 725 CB ILE A 63 10.527 -4.284 -3.501 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.893 -3.495 -4.645 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.746 -3.525 -2.971 1.00 0.00 C ATOM 728 CD1 ILE A 63 9.018 -2.383 -4.073 1.00 0.00 C ATOM 0 H ILE A 63 8.834 -5.914 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 63 11.470 -5.568 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 63 9.806 -4.410 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.669 -3.070 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.295 -4.158 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.434 -2.549 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.204 -4.092 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.470 -3.392 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.566 -1.820 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.234 -2.819 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.629 -1.715 -3.466 1.00 0.00 H new ATOM 740 N LYS A 64 11.865 -5.974 -1.817 1.00 0.00 N ATOM 741 CA LYS A 64 12.774 -6.598 -0.814 1.00 0.00 C ATOM 742 C LYS A 64 12.393 -8.069 -0.628 1.00 0.00 C ATOM 743 O LYS A 64 13.231 -8.912 -0.376 1.00 0.00 O ATOM 744 CB LYS A 64 12.545 -5.811 0.477 1.00 0.00 C ATOM 745 CG LYS A 64 13.536 -6.281 1.545 1.00 0.00 C ATOM 746 CD LYS A 64 12.774 -6.943 2.694 1.00 0.00 C ATOM 747 CE LYS A 64 13.442 -8.273 3.047 1.00 0.00 C ATOM 748 NZ LYS A 64 13.501 -8.293 4.535 1.00 0.00 N ATOM 0 H LYS A 64 11.218 -5.280 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 64 13.820 -6.569 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.672 -4.744 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.523 -5.955 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.246 -6.986 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.113 -5.435 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.764 -6.286 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.735 -7.110 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.868 -9.117 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.439 -8.342 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.948 -9.177 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.059 -7.483 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.537 -8.234 4.921 1.00 0.00 H new ATOM 762 N GLY A 65 11.130 -8.381 -0.762 1.00 0.00 N ATOM 763 CA GLY A 65 10.691 -9.796 -0.605 1.00 0.00 C ATOM 764 C GLY A 65 9.445 -9.872 0.286 1.00 0.00 C ATOM 765 O GLY A 65 9.191 -10.881 0.913 1.00 0.00 O ATOM 0 H GLY A 65 10.386 -7.716 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.474 -10.227 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.496 -10.387 -0.168 1.00 0.00 H new ATOM 769 N ILE A 66 8.664 -8.824 0.357 1.00 0.00 N ATOM 770 CA ILE A 66 7.449 -8.873 1.219 1.00 0.00 C ATOM 771 C ILE A 66 6.261 -9.458 0.442 1.00 0.00 C ATOM 772 O ILE A 66 6.410 -10.352 -0.366 1.00 0.00 O ATOM 773 CB ILE A 66 7.137 -7.423 1.635 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.391 -6.538 1.596 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.599 -7.435 3.061 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.383 -5.679 0.328 1.00 0.00 C ATOM 0 H ILE A 66 8.814 -7.946 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 66 7.621 -9.507 2.089 1.00 0.00 H new ATOM 0 HB ILE A 66 6.408 -7.015 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.423 -5.899 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.286 -7.159 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.372 -6.415 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.692 -8.037 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.348 -7.861 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.275 -5.054 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.372 -6.326 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.496 -5.046 0.323 1.00 0.00 H new ATOM 788 N SER A 67 5.085 -8.948 0.698 1.00 0.00 N ATOM 789 CA SER A 67 3.846 -9.430 0.016 1.00 0.00 C ATOM 790 C SER A 67 2.657 -8.758 0.696 1.00 0.00 C ATOM 791 O SER A 67 2.690 -7.574 0.977 1.00 0.00 O ATOM 792 CB SER A 67 3.814 -10.946 0.227 1.00 0.00 C ATOM 793 OG SER A 67 3.903 -11.231 1.617 1.00 0.00 O ATOM 0 H SER A 67 4.927 -8.197 1.370 1.00 0.00 H new ATOM 0 HA SER A 67 3.816 -9.197 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.893 -11.362 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.641 -11.416 -0.306 1.00 0.00 H new ATOM 0 HG SER A 67 3.881 -12.201 1.754 1.00 0.00 H new ATOM 799 N GLU A 68 1.624 -9.488 1.009 1.00 0.00 N ATOM 800 CA GLU A 68 0.486 -8.848 1.715 1.00 0.00 C ATOM 801 C GLU A 68 1.020 -8.213 2.999 1.00 0.00 C ATOM 802 O GLU A 68 0.399 -7.358 3.597 1.00 0.00 O ATOM 803 CB GLU A 68 -0.484 -9.987 2.033 1.00 0.00 C ATOM 804 CG GLU A 68 -1.865 -9.652 1.467 1.00 0.00 C ATOM 805 CD GLU A 68 -2.520 -10.927 0.932 1.00 0.00 C ATOM 806 OE1 GLU A 68 -1.792 -11.818 0.527 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.739 -10.989 0.938 1.00 0.00 O ATOM 0 H GLU A 68 1.520 -10.483 0.810 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.006 -8.071 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.120 -10.920 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.547 -10.135 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.489 -9.207 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.774 -8.915 0.669 1.00 0.00 H new ATOM 814 N ALA A 69 2.183 -8.642 3.423 1.00 0.00 N ATOM 815 CA ALA A 69 2.793 -8.092 4.663 1.00 0.00 C ATOM 816 C ALA A 69 2.560 -6.587 4.769 1.00 0.00 C ATOM 817 O ALA A 69 1.690 -6.130 5.485 1.00 0.00 O ATOM 818 CB ALA A 69 4.284 -8.384 4.513 1.00 0.00 C ATOM 0 H ALA A 69 2.738 -9.358 2.954 1.00 0.00 H new ATOM 0 HA ALA A 69 2.362 -8.534 5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.818 -8.011 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.437 -9.460 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.663 -7.890 3.618 1.00 0.00 H new ATOM 824 N LYS A 70 3.330 -5.814 4.063 1.00 0.00 N ATOM 825 CA LYS A 70 3.155 -4.341 4.129 1.00 0.00 C ATOM 826 C LYS A 70 2.109 -3.889 3.110 1.00 0.00 C ATOM 827 O LYS A 70 1.276 -3.055 3.400 1.00 0.00 O ATOM 828 CB LYS A 70 4.534 -3.763 3.804 1.00 0.00 C ATOM 829 CG LYS A 70 4.841 -3.955 2.318 1.00 0.00 C ATOM 830 CD LYS A 70 6.312 -3.624 2.058 1.00 0.00 C ATOM 831 CE LYS A 70 6.450 -2.949 0.691 1.00 0.00 C ATOM 832 NZ LYS A 70 5.665 -3.804 -0.240 1.00 0.00 N ATOM 0 H LYS A 70 4.073 -6.138 3.443 1.00 0.00 H new ATOM 0 HA LYS A 70 2.802 -4.005 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.562 -2.703 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.296 -4.255 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.630 -4.982 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.200 -3.311 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.691 -2.966 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.911 -4.534 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.063 -1.930 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.494 -2.887 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.039 -3.701 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.739 -4.798 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.667 -3.511 -0.222 1.00 0.00 H new ATOM 846 N ALA A 71 2.135 -4.430 1.923 1.00 0.00 N ATOM 847 CA ALA A 71 1.122 -4.013 0.907 1.00 0.00 C ATOM 848 C ALA A 71 -0.276 -4.056 1.524 1.00 0.00 C ATOM 849 O ALA A 71 -0.972 -3.060 1.596 1.00 0.00 O ATOM 850 CB ALA A 71 1.236 -5.037 -0.220 1.00 0.00 C ATOM 0 H ALA A 71 2.804 -5.134 1.613 1.00 0.00 H new ATOM 0 HA ALA A 71 1.290 -2.998 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.520 -4.795 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.246 -5.016 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.024 -6.032 0.170 1.00 0.00 H new ATOM 856 N ASP A 72 -0.687 -5.206 1.977 1.00 0.00 N ATOM 857 CA ASP A 72 -2.033 -5.318 2.600 1.00 0.00 C ATOM 858 C ASP A 72 -2.124 -4.369 3.797 1.00 0.00 C ATOM 859 O ASP A 72 -3.089 -3.648 3.955 1.00 0.00 O ATOM 860 CB ASP A 72 -2.142 -6.771 3.054 1.00 0.00 C ATOM 861 CG ASP A 72 -3.615 -7.127 3.266 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.384 -6.958 2.334 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.947 -7.560 4.357 1.00 0.00 O ATOM 0 H ASP A 72 -0.150 -6.072 1.943 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.837 -5.052 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.701 -7.431 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.584 -6.918 3.979 1.00 0.00 H new ATOM 868 N LYS A 73 -1.125 -4.359 4.639 1.00 0.00 N ATOM 869 CA LYS A 73 -1.165 -3.447 5.817 1.00 0.00 C ATOM 870 C LYS A 73 -1.637 -2.060 5.381 1.00 0.00 C ATOM 871 O LYS A 73 -2.229 -1.325 6.147 1.00 0.00 O ATOM 872 CB LYS A 73 0.275 -3.383 6.329 1.00 0.00 C ATOM 873 CG LYS A 73 0.382 -2.309 7.414 1.00 0.00 C ATOM 874 CD LYS A 73 -0.746 -2.499 8.430 1.00 0.00 C ATOM 875 CE LYS A 73 -0.538 -3.815 9.180 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.057 -3.418 10.533 1.00 0.00 N ATOM 0 H LYS A 73 -0.289 -4.939 4.563 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.851 -3.798 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.573 -4.352 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.955 -3.155 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.349 -2.374 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.320 -1.317 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.762 -1.666 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.710 -2.506 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.466 -4.384 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.190 -4.447 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.108 -4.270 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.831 -2.884 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.774 -2.823 10.995 1.00 0.00 H new ATOM 890 N ILE A 74 -1.382 -1.695 4.153 1.00 0.00 N ATOM 891 CA ILE A 74 -1.820 -0.354 3.674 1.00 0.00 C ATOM 892 C ILE A 74 -3.323 -0.361 3.398 1.00 0.00 C ATOM 893 O ILE A 74 -4.080 0.357 4.019 1.00 0.00 O ATOM 894 CB ILE A 74 -1.039 -0.114 2.383 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.458 -0.110 2.693 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.438 1.237 1.785 1.00 0.00 C ATOM 897 CD1 ILE A 74 0.756 0.969 3.733 1.00 0.00 C ATOM 0 H ILE A 74 -0.891 -2.265 3.464 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.633 0.428 4.410 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.264 -0.906 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.766 -1.086 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.029 0.078 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.880 1.406 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.506 1.237 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.213 2.031 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.823 0.974 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.462 1.943 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.196 0.761 4.644 1.00 0.00 H new ATOM 909 N LEU A 75 -3.765 -1.168 2.474 1.00 0.00 N ATOM 910 CA LEU A 75 -5.225 -1.210 2.174 1.00 0.00 C ATOM 911 C LEU A 75 -6.012 -1.360 3.477 1.00 0.00 C ATOM 912 O LEU A 75 -7.172 -1.008 3.558 1.00 0.00 O ATOM 913 CB LEU A 75 -5.418 -2.435 1.279 1.00 0.00 C ATOM 914 CG LEU A 75 -5.336 -2.013 -0.189 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.959 -2.378 -0.747 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.420 -2.738 -0.991 1.00 0.00 C ATOM 0 H LEU A 75 -3.185 -1.796 1.917 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.578 -0.302 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.654 -3.182 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.384 -2.898 1.482 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.487 -0.936 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.899 -2.078 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.187 -1.862 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.809 -3.455 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.361 -2.437 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.270 -3.815 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.401 -2.479 -0.593 1.00 0.00 H new ATOM 928 N ALA A 76 -5.386 -1.872 4.500 1.00 0.00 N ATOM 929 CA ALA A 76 -6.093 -2.036 5.802 1.00 0.00 C ATOM 930 C ALA A 76 -5.964 -0.755 6.629 1.00 0.00 C ATOM 931 O ALA A 76 -6.940 -0.213 7.110 1.00 0.00 O ATOM 932 CB ALA A 76 -5.384 -3.197 6.499 1.00 0.00 C ATOM 0 H ALA A 76 -4.415 -2.184 4.491 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.158 -2.231 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.849 -3.379 7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.463 -4.094 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.333 -2.948 6.643 1.00 0.00 H new ATOM 938 N GLU A 77 -4.765 -0.268 6.795 1.00 0.00 N ATOM 939 CA GLU A 77 -4.566 0.977 7.589 1.00 0.00 C ATOM 940 C GLU A 77 -5.193 2.172 6.864 1.00 0.00 C ATOM 941 O GLU A 77 -5.583 3.145 7.478 1.00 0.00 O ATOM 942 CB GLU A 77 -3.049 1.146 7.686 1.00 0.00 C ATOM 943 CG GLU A 77 -2.522 0.375 8.898 1.00 0.00 C ATOM 944 CD GLU A 77 -3.191 0.902 10.169 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.772 1.943 10.647 1.00 0.00 O ATOM 946 OE2 GLU A 77 -4.111 0.256 10.642 1.00 0.00 O ATOM 0 H GLU A 77 -3.913 -0.680 6.414 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.034 0.920 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.574 0.781 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.796 2.202 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.726 -0.689 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.440 0.486 8.971 1.00 0.00 H new ATOM 953 N ALA A 78 -5.295 2.107 5.562 1.00 0.00 N ATOM 954 CA ALA A 78 -5.899 3.242 4.809 1.00 0.00 C ATOM 955 C ALA A 78 -7.424 3.202 4.934 1.00 0.00 C ATOM 956 O ALA A 78 -8.045 4.145 5.384 1.00 0.00 O ATOM 957 CB ALA A 78 -5.476 3.027 3.356 1.00 0.00 C ATOM 0 H ALA A 78 -4.987 1.320 4.991 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.571 4.210 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.884 3.826 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.388 3.035 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.854 2.067 3.005 1.00 0.00 H new ATOM 963 N ALA A 79 -8.033 2.117 4.542 1.00 0.00 N ATOM 964 CA ALA A 79 -9.517 2.018 4.640 1.00 0.00 C ATOM 965 C ALA A 79 -9.969 2.287 6.078 1.00 0.00 C ATOM 966 O ALA A 79 -11.122 2.571 6.335 1.00 0.00 O ATOM 967 CB ALA A 79 -9.846 0.581 4.235 1.00 0.00 C ATOM 0 H ALA A 79 -7.567 1.295 4.158 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.023 2.746 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.924 0.428 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.497 0.401 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.351 -0.111 4.916 1.00 0.00 H new ATOM 973 N LYS A 80 -9.067 2.200 7.017 1.00 0.00 N ATOM 974 CA LYS A 80 -9.441 2.449 8.438 1.00 0.00 C ATOM 975 C LYS A 80 -9.012 3.859 8.857 1.00 0.00 C ATOM 976 O LYS A 80 -9.409 4.356 9.892 1.00 0.00 O ATOM 977 CB LYS A 80 -8.674 1.395 9.238 1.00 0.00 C ATOM 978 CG LYS A 80 -9.662 0.461 9.940 1.00 0.00 C ATOM 979 CD LYS A 80 -9.163 0.164 11.357 1.00 0.00 C ATOM 980 CE LYS A 80 -8.395 -1.161 11.363 1.00 0.00 C ATOM 981 NZ LYS A 80 -7.033 -0.812 11.853 1.00 0.00 N ATOM 0 H LYS A 80 -8.086 1.967 6.861 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.517 2.382 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.025 0.822 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.031 1.879 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.649 0.921 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.765 -0.467 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.518 0.972 11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.005 0.111 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.874 -1.892 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.356 -1.600 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.445 -1.669 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.600 -0.119 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.101 -0.403 12.807 1.00 0.00 H new ATOM 995 N LEU A 81 -8.203 4.504 8.064 1.00 0.00 N ATOM 996 CA LEU A 81 -7.748 5.878 8.422 1.00 0.00 C ATOM 997 C LEU A 81 -8.392 6.915 7.501 1.00 0.00 C ATOM 998 O LEU A 81 -8.905 7.922 7.948 1.00 0.00 O ATOM 999 CB LEU A 81 -6.232 5.853 8.225 1.00 0.00 C ATOM 1000 CG LEU A 81 -5.616 7.111 8.839 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.495 6.934 10.353 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -4.225 7.343 8.242 1.00 0.00 C ATOM 0 H LEU A 81 -7.837 4.140 7.184 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.026 6.150 9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.809 4.963 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.994 5.800 7.163 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.253 7.968 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.056 7.831 10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.484 6.769 10.780 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.859 6.076 10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.786 8.240 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.589 6.485 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.309 7.470 7.163 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.369 6.681 6.217 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.980 7.660 5.273 1.00 0.00 C ATOM 1016 C VAL A 82 -10.050 6.979 4.417 1.00 0.00 C ATOM 1017 O VAL A 82 -9.968 6.977 3.205 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.826 8.155 4.401 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.749 8.776 5.290 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.228 6.982 3.618 1.00 0.00 C ATOM 0 H VAL A 82 -7.955 5.857 5.782 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.471 8.480 5.797 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.198 8.902 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.925 9.130 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.173 9.614 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.380 8.028 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.406 7.340 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.857 6.231 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.995 6.540 2.983 1.00 0.00 H new ATOM 1030 N PRO A 83 -11.028 6.430 5.084 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.137 5.744 4.380 1.00 0.00 C ATOM 1032 C PRO A 83 -13.046 6.771 3.699 1.00 0.00 C ATOM 1033 O PRO A 83 -13.078 7.928 4.072 1.00 0.00 O ATOM 1034 CB PRO A 83 -12.878 5.016 5.499 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.557 5.787 6.741 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.193 6.396 6.543 1.00 0.00 C ATOM 0 HA PRO A 83 -11.797 5.068 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.952 4.996 5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.549 3.980 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.303 6.562 6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.564 5.133 7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.135 7.395 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.416 5.798 7.019 1.00 0.00 H new ATOM 1044 N MET A 84 -13.782 6.363 2.702 1.00 0.00 N ATOM 1045 CA MET A 84 -14.681 7.323 2.001 1.00 0.00 C ATOM 1046 C MET A 84 -16.026 6.660 1.690 1.00 0.00 C ATOM 1047 O MET A 84 -17.068 7.277 1.782 1.00 0.00 O ATOM 1048 CB MET A 84 -13.948 7.681 0.708 1.00 0.00 C ATOM 1049 CG MET A 84 -14.827 8.599 -0.143 1.00 0.00 C ATOM 1050 SD MET A 84 -13.939 10.140 -0.482 1.00 0.00 S ATOM 1051 CE MET A 84 -14.996 10.721 -1.831 1.00 0.00 C ATOM 0 H MET A 84 -13.800 5.408 2.343 1.00 0.00 H new ATOM 0 HA MET A 84 -14.895 8.204 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 84 -13.004 8.175 0.938 1.00 0.00 H new ATOM 0 HB3 MET A 84 -13.706 6.775 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 84 -15.089 8.105 -1.078 1.00 0.00 H new ATOM 0 HG3 MET A 84 -15.761 8.812 0.378 1.00 0.00 H new ATOM 0 HE1 MET A 84 -14.624 11.677 -2.199 1.00 0.00 H new ATOM 0 HE2 MET A 84 -14.986 9.992 -2.641 1.00 0.00 H new ATOM 0 HE3 MET A 84 -16.016 10.844 -1.467 1.00 0.00 H new ATOM 1061 N GLY A 85 -16.010 5.410 1.321 1.00 0.00 N ATOM 1062 CA GLY A 85 -17.289 4.711 1.005 1.00 0.00 C ATOM 1063 C GLY A 85 -17.914 4.179 2.297 1.00 0.00 C ATOM 1064 O GLY A 85 -19.129 4.207 2.398 1.00 0.00 O ATOM 0 H GLY A 85 -15.169 4.842 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.978 5.396 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.105 3.890 0.313 1.00 0.00 H new TER 1068 GLY A 85