USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 SER OG : rot -21:sc= 0.213! USER MOD Set 1.3: A 51 THR OG1 : rot -89:sc= -1.24! USER MOD Single : A 1 PHE N :NH3+ -134:sc= 2.29 (180deg=1.1) USER MOD Single : A 6 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.4) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.19! C(o=-1.2!,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 1.49 (180deg=0.759!) USER MOD Single : A 28 SER OG : rot -30:sc= 0.303 USER MOD Single : A 34 TYR OH : rot -11:sc= 1.02 USER MOD Single : A 39 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.6) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 1.22 (180deg=-1.97!) USER MOD Single : A 41 ASN : amide:sc= -0.712 K(o=-0.71,f=-2) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= 1.05 (180deg=-0.949!) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 0.855 (180deg=-0.0649) USER MOD Single : A 57 MET CE :methyl 166:sc= -0.0783 (180deg=-0.4) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= -1.58! (180deg=-3.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.202 3.868 5.892 1.00 0.00 N ATOM 2 CA PHE A 1 4.330 3.207 4.900 1.00 0.00 C ATOM 3 C PHE A 1 3.746 4.327 4.081 1.00 0.00 C ATOM 4 O PHE A 1 4.037 4.449 2.911 1.00 0.00 O ATOM 5 CB PHE A 1 3.206 2.507 5.644 1.00 0.00 C ATOM 6 CG PHE A 1 2.704 1.191 5.198 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.343 0.018 5.538 1.00 0.00 C ATOM 8 CD2 PHE A 1 1.519 1.137 4.526 1.00 0.00 C ATOM 9 CE1 PHE A 1 2.788 -1.199 5.201 1.00 0.00 C ATOM 10 CE2 PHE A 1 0.958 -0.065 4.165 1.00 0.00 C ATOM 11 CZ PHE A 1 1.590 -1.238 4.511 1.00 0.00 C ATOM 0 H1 PHE A 1 6.115 3.372 5.937 1.00 0.00 H new ATOM 0 H2 PHE A 1 5.359 4.857 5.612 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.747 3.841 6.827 1.00 0.00 H new ATOM 0 HA PHE A 1 4.864 2.481 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 1 3.531 2.391 6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 1 2.355 3.188 5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 1 4.282 0.052 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 1 1.011 2.056 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 1 3.287 -2.117 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 1 0.029 -0.089 3.615 1.00 0.00 H new ATOM 0 HZ PHE A 1 1.151 -2.188 4.244 1.00 0.00 H new ATOM 21 N CYS A 2 2.914 5.123 4.684 1.00 0.00 N ATOM 22 CA CYS A 2 2.493 6.324 4.050 1.00 0.00 C ATOM 23 C CYS A 2 2.752 7.545 4.965 1.00 0.00 C ATOM 24 O CYS A 2 2.821 8.685 4.503 1.00 0.00 O ATOM 25 CB CYS A 2 1.043 6.244 3.633 1.00 0.00 C ATOM 26 SG CYS A 2 0.569 7.581 2.519 1.00 0.00 S ATOM 0 H CYS A 2 2.518 4.959 5.610 1.00 0.00 H new ATOM 0 HA CYS A 2 3.084 6.453 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 2 0.861 5.287 3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.411 6.274 4.521 1.00 0.00 H new ATOM 31 N GLU A 3 2.921 7.256 6.250 1.00 0.00 N ATOM 32 CA GLU A 3 3.135 8.223 7.348 1.00 0.00 C ATOM 33 C GLU A 3 4.244 9.207 7.024 1.00 0.00 C ATOM 34 O GLU A 3 4.068 10.401 7.092 1.00 0.00 O ATOM 35 CB GLU A 3 3.550 7.497 8.660 1.00 0.00 C ATOM 36 CG GLU A 3 2.743 6.258 9.059 1.00 0.00 C ATOM 37 CD GLU A 3 2.973 5.093 8.125 1.00 0.00 C ATOM 38 OE1 GLU A 3 4.046 4.490 8.153 1.00 0.00 O ATOM 39 OE2 GLU A 3 2.128 4.854 7.253 1.00 0.00 O ATOM 0 H GLU A 3 2.914 6.292 6.584 1.00 0.00 H new ATOM 0 HA GLU A 3 2.188 8.748 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.596 7.204 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.491 8.216 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.012 5.965 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.682 6.507 9.070 1.00 0.00 H new ATOM 46 N ARG A 4 5.390 8.683 6.714 1.00 0.00 N ATOM 47 CA ARG A 4 6.523 9.488 6.408 1.00 0.00 C ATOM 48 C ARG A 4 6.472 9.919 4.953 1.00 0.00 C ATOM 49 O ARG A 4 6.740 11.066 4.617 1.00 0.00 O ATOM 50 CB ARG A 4 7.805 8.699 6.673 1.00 0.00 C ATOM 51 CG ARG A 4 9.090 9.448 6.347 1.00 0.00 C ATOM 52 CD ARG A 4 10.291 8.516 6.394 1.00 0.00 C ATOM 53 NE ARG A 4 10.139 7.408 5.436 1.00 0.00 N ATOM 54 CZ ARG A 4 11.103 6.638 4.939 1.00 0.00 C ATOM 55 NH1 ARG A 4 12.382 6.805 5.310 1.00 0.00 N ATOM 56 NH2 ARG A 4 10.769 5.694 4.070 1.00 0.00 N ATOM 0 H ARG A 4 5.562 7.679 6.667 1.00 0.00 H new ATOM 0 HA ARG A 4 6.513 10.375 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.826 8.408 7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.778 7.780 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.012 9.897 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.230 10.263 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.199 9.075 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.406 8.117 7.402 1.00 0.00 H new ATOM 0 HE ARG A 4 9.190 7.209 5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.627 7.531 5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.109 6.206 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.793 5.573 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.488 5.089 3.673 1.00 0.00 H new ATOM 70 N GLU A 5 6.134 8.957 4.127 1.00 0.00 N ATOM 71 CA GLU A 5 6.067 9.032 2.711 1.00 0.00 C ATOM 72 C GLU A 5 5.204 10.228 2.189 1.00 0.00 C ATOM 73 O GLU A 5 5.704 11.082 1.470 1.00 0.00 O ATOM 74 CB GLU A 5 5.493 7.686 2.260 1.00 0.00 C ATOM 75 CG GLU A 5 6.349 6.405 2.613 1.00 0.00 C ATOM 76 CD GLU A 5 6.868 6.256 4.031 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.051 6.206 4.977 1.00 0.00 O ATOM 78 OE2 GLU A 5 8.088 6.165 4.221 1.00 0.00 O ATOM 0 H GLU A 5 5.880 8.031 4.471 1.00 0.00 H new ATOM 0 HA GLU A 5 7.057 9.220 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.504 7.570 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.355 7.718 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.743 5.527 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.207 6.382 1.941 1.00 0.00 H new ATOM 85 N GLN A 6 3.932 10.292 2.587 1.00 0.00 N ATOM 86 CA GLN A 6 3.003 11.325 2.094 1.00 0.00 C ATOM 87 C GLN A 6 2.445 12.107 3.230 1.00 0.00 C ATOM 88 O GLN A 6 1.719 13.078 3.032 1.00 0.00 O ATOM 89 CB GLN A 6 1.826 10.659 1.434 1.00 0.00 C ATOM 90 CG GLN A 6 2.146 9.908 0.201 1.00 0.00 C ATOM 91 CD GLN A 6 2.487 10.843 -0.935 1.00 0.00 C ATOM 92 OE1 GLN A 6 3.625 11.217 -1.135 1.00 0.00 O ATOM 93 NE2 GLN A 6 1.487 11.246 -1.674 1.00 0.00 N ATOM 0 H GLN A 6 3.515 9.640 3.252 1.00 0.00 H new ATOM 0 HA GLN A 6 3.552 11.969 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.366 9.977 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.083 11.420 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.985 9.237 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.296 9.285 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.543 10.913 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.651 11.893 -2.445 1.00 0.00 H new ATOM 102 N GLN A 7 2.759 11.643 4.411 1.00 0.00 N ATOM 103 CA GLN A 7 2.219 12.134 5.652 1.00 0.00 C ATOM 104 C GLN A 7 0.723 11.810 5.781 1.00 0.00 C ATOM 105 O GLN A 7 -0.004 12.385 6.583 1.00 0.00 O ATOM 106 CB GLN A 7 2.574 13.596 5.904 1.00 0.00 C ATOM 107 CG GLN A 7 4.075 13.812 5.914 1.00 0.00 C ATOM 108 CD GLN A 7 4.487 15.266 6.032 1.00 0.00 C ATOM 109 OE1 GLN A 7 3.803 16.084 6.633 1.00 0.00 O ATOM 110 NE2 GLN A 7 5.611 15.601 5.451 1.00 0.00 N ATOM 0 H GLN A 7 3.425 10.881 4.540 1.00 0.00 H new ATOM 0 HA GLN A 7 2.705 11.595 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.121 14.219 5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.154 13.914 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.507 13.254 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.498 13.398 4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.160 14.897 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.938 16.566 5.492 1.00 0.00 H new ATOM 119 N LEU A 8 0.316 10.821 5.021 1.00 0.00 N ATOM 120 CA LEU A 8 -1.015 10.296 5.042 1.00 0.00 C ATOM 121 C LEU A 8 -1.029 9.145 5.928 1.00 0.00 C ATOM 122 O LEU A 8 -0.010 8.478 6.128 1.00 0.00 O ATOM 123 CB LEU A 8 -1.461 9.859 3.660 1.00 0.00 C ATOM 124 CG LEU A 8 -1.668 10.969 2.679 1.00 0.00 C ATOM 125 CD1 LEU A 8 -1.685 10.427 1.250 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.961 11.718 2.977 1.00 0.00 C ATOM 0 H LEU A 8 0.926 10.350 4.353 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.697 11.073 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.718 9.172 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.392 9.301 3.755 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.836 11.667 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.837 11.249 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.735 9.938 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.496 9.706 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.092 12.521 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.804 11.030 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.914 12.140 3.981 1.00 0.00 H new ATOM 138 N GLU A 9 -2.143 8.907 6.449 1.00 0.00 N ATOM 139 CA GLU A 9 -2.311 7.788 7.325 1.00 0.00 C ATOM 140 C GLU A 9 -2.388 6.578 6.433 1.00 0.00 C ATOM 141 O GLU A 9 -2.925 6.658 5.322 1.00 0.00 O ATOM 142 CB GLU A 9 -3.583 7.892 8.124 1.00 0.00 C ATOM 143 CG GLU A 9 -3.499 7.269 9.512 1.00 0.00 C ATOM 144 CD GLU A 9 -4.844 7.215 10.186 1.00 0.00 C ATOM 145 OE1 GLU A 9 -5.578 8.224 10.163 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.227 6.139 10.672 1.00 0.00 O ATOM 0 H GLU A 9 -2.983 9.466 6.298 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.488 7.738 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.851 8.944 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.388 7.410 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.092 6.261 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.808 7.845 10.127 1.00 0.00 H new ATOM 153 N SER A 10 -1.833 5.519 6.856 1.00 0.00 N ATOM 154 CA SER A 10 -1.801 4.350 6.110 1.00 0.00 C ATOM 155 C SER A 10 -3.122 3.586 6.178 1.00 0.00 C ATOM 156 O SER A 10 -3.958 3.806 7.068 1.00 0.00 O ATOM 157 CB SER A 10 -0.648 3.559 6.627 1.00 0.00 C ATOM 158 OG SER A 10 -0.763 3.302 8.013 1.00 0.00 O ATOM 0 H SER A 10 -1.374 5.446 7.764 1.00 0.00 H new ATOM 0 HA SER A 10 -1.670 4.565 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.585 2.614 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.279 4.099 6.434 1.00 0.00 H new ATOM 0 HG SER A 10 0.010 2.780 8.314 1.00 0.00 H new ATOM 164 N CYS A 11 -3.332 2.751 5.208 1.00 0.00 N ATOM 165 CA CYS A 11 -4.490 1.912 5.165 1.00 0.00 C ATOM 166 C CYS A 11 -4.174 0.741 4.241 1.00 0.00 C ATOM 167 O CYS A 11 -3.053 0.637 3.739 1.00 0.00 O ATOM 168 CB CYS A 11 -5.741 2.694 4.661 1.00 0.00 C ATOM 169 SG CYS A 11 -7.314 1.788 4.895 1.00 0.00 S ATOM 0 H CYS A 11 -2.699 2.631 4.417 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.729 1.555 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.799 3.648 5.186 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.616 2.920 3.602 1.00 0.00 H new ATOM 174 N ALA A 12 -5.128 -0.111 4.020 1.00 0.00 N ATOM 175 CA ALA A 12 -4.981 -1.233 3.144 1.00 0.00 C ATOM 176 C ALA A 12 -6.138 -1.198 2.188 1.00 0.00 C ATOM 177 O ALA A 12 -7.258 -0.883 2.589 1.00 0.00 O ATOM 178 CB ALA A 12 -4.977 -2.532 3.937 1.00 0.00 C ATOM 0 H ALA A 12 -6.049 -0.044 4.452 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.035 -1.183 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.864 -3.374 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.147 -2.524 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.916 -2.629 4.481 1.00 0.00 H new ATOM 184 N CYS A 13 -5.885 -1.445 0.946 1.00 0.00 N ATOM 185 CA CYS A 13 -6.907 -1.419 -0.030 1.00 0.00 C ATOM 186 C CYS A 13 -7.689 -2.720 -0.004 1.00 0.00 C ATOM 187 O CYS A 13 -7.112 -3.791 0.060 1.00 0.00 O ATOM 188 CB CYS A 13 -6.268 -1.123 -1.371 1.00 0.00 C ATOM 189 SG CYS A 13 -5.381 0.496 -1.380 1.00 0.00 S ATOM 0 H CYS A 13 -4.958 -1.671 0.584 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.634 -0.634 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.568 -1.920 -1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.036 -1.119 -2.144 1.00 0.00 H new ATOM 194 N ASN A 14 -9.017 -2.595 0.010 1.00 0.00 N ATOM 195 CA ASN A 14 -9.953 -3.739 0.081 1.00 0.00 C ATOM 196 C ASN A 14 -9.838 -4.626 -1.154 1.00 0.00 C ATOM 197 O ASN A 14 -10.201 -5.792 -1.141 1.00 0.00 O ATOM 198 CB ASN A 14 -11.395 -3.213 0.206 1.00 0.00 C ATOM 199 CG ASN A 14 -12.451 -4.309 0.408 1.00 0.00 C ATOM 200 OD1 ASN A 14 -12.738 -4.701 1.523 1.00 0.00 O ATOM 201 ND2 ASN A 14 -13.058 -4.775 -0.663 1.00 0.00 N ATOM 0 H ASN A 14 -9.487 -1.690 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.696 -4.338 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.445 -2.518 1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.642 -2.647 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.788 -5.481 -0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.799 -4.430 -1.587 1.00 0.00 H new ATOM 208 N GLU A 15 -9.355 -4.047 -2.219 1.00 0.00 N ATOM 209 CA GLU A 15 -9.158 -4.730 -3.434 1.00 0.00 C ATOM 210 C GLU A 15 -7.953 -5.694 -3.246 1.00 0.00 C ATOM 211 O GLU A 15 -6.979 -5.339 -2.573 1.00 0.00 O ATOM 212 CB GLU A 15 -8.960 -3.677 -4.554 1.00 0.00 C ATOM 213 CG GLU A 15 -9.029 -4.186 -5.993 1.00 0.00 C ATOM 214 CD GLU A 15 -7.887 -5.075 -6.322 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.765 -4.613 -6.218 1.00 0.00 O ATOM 216 OE2 GLU A 15 -8.103 -6.276 -6.555 1.00 0.00 O ATOM 0 H GLU A 15 -9.086 -3.064 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.013 -5.340 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.717 -2.902 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.990 -3.202 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.964 -4.726 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.038 -3.338 -6.678 1.00 0.00 H new ATOM 223 N THR A 16 -8.039 -6.881 -3.830 1.00 0.00 N ATOM 224 CA THR A 16 -7.048 -7.928 -3.669 1.00 0.00 C ATOM 225 C THR A 16 -5.653 -7.504 -4.096 1.00 0.00 C ATOM 226 O THR A 16 -4.701 -7.599 -3.315 1.00 0.00 O ATOM 227 CB THR A 16 -7.453 -9.188 -4.451 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.702 -9.679 -3.933 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.366 -10.273 -4.351 1.00 0.00 C ATOM 0 H THR A 16 -8.814 -7.145 -4.439 1.00 0.00 H new ATOM 0 HA THR A 16 -7.014 -8.143 -2.601 1.00 0.00 H new ATOM 0 HB THR A 16 -7.567 -8.932 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.968 -10.482 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.678 -11.153 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.432 -9.891 -4.763 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.217 -10.544 -3.306 1.00 0.00 H new ATOM 237 N ASP A 17 -5.531 -7.007 -5.273 1.00 0.00 N ATOM 238 CA ASP A 17 -4.231 -6.699 -5.796 1.00 0.00 C ATOM 239 C ASP A 17 -3.641 -5.497 -5.082 1.00 0.00 C ATOM 240 O ASP A 17 -2.439 -5.474 -4.721 1.00 0.00 O ATOM 241 CB ASP A 17 -4.300 -6.411 -7.275 1.00 0.00 C ATOM 242 CG ASP A 17 -2.957 -6.005 -7.843 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.093 -6.880 -8.058 1.00 0.00 O ATOM 244 OD2 ASP A 17 -2.702 -4.778 -8.002 1.00 0.00 O ATOM 0 H ASP A 17 -6.309 -6.801 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.594 -7.568 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.661 -7.296 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.024 -5.616 -7.455 1.00 0.00 H new ATOM 249 N ASN A 18 -4.487 -4.516 -4.808 1.00 0.00 N ATOM 250 CA ASN A 18 -4.040 -3.291 -4.227 1.00 0.00 C ATOM 251 C ASN A 18 -3.695 -3.487 -2.769 1.00 0.00 C ATOM 252 O ASN A 18 -2.987 -2.675 -2.184 1.00 0.00 O ATOM 253 CB ASN A 18 -5.065 -2.170 -4.418 1.00 0.00 C ATOM 254 CG ASN A 18 -4.453 -0.754 -4.488 1.00 0.00 C ATOM 255 OD1 ASN A 18 -4.965 0.109 -5.179 1.00 0.00 O ATOM 256 ND2 ASN A 18 -3.403 -0.493 -3.750 1.00 0.00 N ATOM 0 H ASN A 18 -5.490 -4.560 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.133 -2.984 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.624 -2.357 -5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.780 -2.204 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.001 0.445 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.987 -1.227 -3.177 1.00 0.00 H new ATOM 263 N SER A 19 -4.126 -4.591 -2.198 1.00 0.00 N ATOM 264 CA SER A 19 -3.797 -4.865 -0.797 1.00 0.00 C ATOM 265 C SER A 19 -2.322 -5.223 -0.628 1.00 0.00 C ATOM 266 O SER A 19 -1.808 -5.274 0.471 1.00 0.00 O ATOM 267 CB SER A 19 -4.744 -5.895 -0.113 1.00 0.00 C ATOM 268 OG SER A 19 -4.803 -7.164 -0.766 1.00 0.00 O ATOM 0 H SER A 19 -4.692 -5.304 -2.659 1.00 0.00 H new ATOM 0 HA SER A 19 -3.972 -3.932 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.417 -6.044 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.749 -5.475 -0.070 1.00 0.00 H new ATOM 0 HG SER A 19 -4.508 -7.068 -1.695 1.00 0.00 H new ATOM 274 N CYS A 20 -1.647 -5.432 -1.746 1.00 0.00 N ATOM 275 CA CYS A 20 -0.231 -5.713 -1.747 1.00 0.00 C ATOM 276 C CYS A 20 0.571 -4.482 -2.009 1.00 0.00 C ATOM 277 O CYS A 20 1.756 -4.549 -2.299 1.00 0.00 O ATOM 278 CB CYS A 20 0.086 -6.758 -2.762 1.00 0.00 C ATOM 279 SG CYS A 20 -0.625 -8.333 -2.340 1.00 0.00 S ATOM 0 H CYS A 20 -2.069 -5.411 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 20 0.036 -6.082 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.286 -6.442 -3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.167 -6.861 -2.851 1.00 0.00 H new ATOM 284 N LYS A 21 -0.064 -3.366 -1.956 1.00 0.00 N ATOM 285 CA LYS A 21 0.582 -2.124 -2.072 1.00 0.00 C ATOM 286 C LYS A 21 0.297 -1.349 -0.890 1.00 0.00 C ATOM 287 O LYS A 21 -0.699 -1.555 -0.203 1.00 0.00 O ATOM 288 CB LYS A 21 0.189 -1.374 -3.351 1.00 0.00 C ATOM 289 CG LYS A 21 0.680 -1.976 -4.684 1.00 0.00 C ATOM 290 CD LYS A 21 -0.123 -3.194 -5.165 1.00 0.00 C ATOM 291 CE LYS A 21 0.436 -3.731 -6.492 1.00 0.00 C ATOM 292 NZ LYS A 21 -0.328 -4.887 -7.020 1.00 0.00 N ATOM 0 H LYS A 21 -1.074 -3.298 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 21 1.656 -2.291 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.898 -1.309 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.567 -0.354 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.642 -1.204 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.725 -2.265 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.090 -3.978 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.170 -2.917 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.430 -2.931 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.476 -4.025 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.180 -5.299 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.432 -5.604 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.269 -4.569 -7.329 1.00 0.00 H new ATOM 306 N VAL A 22 1.211 -0.522 -0.624 1.00 0.00 N ATOM 307 CA VAL A 22 1.153 0.347 0.440 1.00 0.00 C ATOM 308 C VAL A 22 0.115 1.354 0.165 1.00 0.00 C ATOM 309 O VAL A 22 0.227 2.138 -0.743 1.00 0.00 O ATOM 310 CB VAL A 22 2.494 0.994 0.621 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.408 2.124 1.662 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.524 -0.109 0.969 1.00 0.00 C ATOM 0 H VAL A 22 2.063 -0.435 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 22 0.900 -0.182 1.359 1.00 0.00 H new ATOM 0 HB VAL A 22 2.829 1.476 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.389 2.584 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.694 2.876 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.080 1.714 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.507 0.341 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.224 -0.610 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.567 -0.836 0.158 1.00 0.00 H new ATOM 322 N CYS A 23 -0.906 1.250 0.868 1.00 0.00 N ATOM 323 CA CYS A 23 -1.987 2.167 0.729 1.00 0.00 C ATOM 324 C CYS A 23 -1.969 3.264 1.804 1.00 0.00 C ATOM 325 O CYS A 23 -1.486 3.073 2.934 1.00 0.00 O ATOM 326 CB CYS A 23 -3.338 1.456 0.714 1.00 0.00 C ATOM 327 SG CYS A 23 -3.541 0.134 -0.546 1.00 0.00 S ATOM 0 H CYS A 23 -1.047 0.527 1.574 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.847 2.652 -0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.508 1.021 1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.117 2.202 0.557 1.00 0.00 H new ATOM 332 N CYS A 24 -2.490 4.392 1.427 1.00 0.00 N ATOM 333 CA CYS A 24 -2.656 5.547 2.255 1.00 0.00 C ATOM 334 C CYS A 24 -4.137 5.730 2.433 1.00 0.00 C ATOM 335 O CYS A 24 -4.926 4.919 1.925 1.00 0.00 O ATOM 336 CB CYS A 24 -2.121 6.770 1.522 1.00 0.00 C ATOM 337 SG CYS A 24 -0.397 6.651 1.026 1.00 0.00 S ATOM 0 H CYS A 24 -2.831 4.539 0.477 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.134 5.428 3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.730 6.940 0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.241 7.643 2.163 1.00 0.00 H new ATOM 342 N ARG A 25 -4.545 6.732 3.135 1.00 0.00 N ATOM 343 CA ARG A 25 -5.911 7.017 3.205 1.00 0.00 C ATOM 344 C ARG A 25 -6.083 8.452 2.841 1.00 0.00 C ATOM 345 O ARG A 25 -5.168 9.251 3.034 1.00 0.00 O ATOM 346 CB ARG A 25 -6.438 6.761 4.574 1.00 0.00 C ATOM 347 CG ARG A 25 -7.882 6.333 4.547 1.00 0.00 C ATOM 348 CD ARG A 25 -8.521 6.478 5.882 1.00 0.00 C ATOM 349 NE ARG A 25 -7.905 5.589 6.877 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.308 5.992 8.013 1.00 0.00 C ATOM 351 NH1 ARG A 25 -7.334 7.279 8.370 1.00 0.00 N ATOM 352 NH2 ARG A 25 -6.700 5.105 8.790 1.00 0.00 N ATOM 0 H ARG A 25 -3.940 7.360 3.664 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.467 6.375 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.839 5.988 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.338 7.664 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.426 6.931 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.948 5.295 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.437 7.512 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.585 6.254 5.803 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.932 4.586 6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.808 7.962 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.879 7.578 9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.686 4.120 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.247 5.408 9.652 1.00 0.00 H new ATOM 366 N ASP A 26 -7.210 8.774 2.325 1.00 0.00 N ATOM 367 CA ASP A 26 -7.475 10.081 1.868 1.00 0.00 C ATOM 368 C ASP A 26 -8.439 10.758 2.824 1.00 0.00 C ATOM 369 O ASP A 26 -8.873 10.171 3.819 1.00 0.00 O ATOM 370 CB ASP A 26 -8.025 10.046 0.406 1.00 0.00 C ATOM 371 CG ASP A 26 -9.539 10.172 0.280 1.00 0.00 C ATOM 372 OD1 ASP A 26 -10.266 9.216 0.514 1.00 0.00 O ATOM 373 OD2 ASP A 26 -10.018 11.263 -0.063 1.00 0.00 O ATOM 0 H ASP A 26 -7.987 8.123 2.207 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.553 10.662 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.561 10.854 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.714 9.111 -0.060 1.00 0.00 H new ATOM 378 N LEU A 27 -8.764 11.949 2.486 1.00 0.00 N ATOM 379 CA LEU A 27 -9.618 12.839 3.225 1.00 0.00 C ATOM 380 C LEU A 27 -11.040 12.324 3.370 1.00 0.00 C ATOM 381 O LEU A 27 -11.687 12.522 4.387 1.00 0.00 O ATOM 382 CB LEU A 27 -9.652 14.234 2.593 1.00 0.00 C ATOM 383 CG LEU A 27 -9.697 14.334 1.052 1.00 0.00 C ATOM 384 CD1 LEU A 27 -10.403 15.614 0.640 1.00 0.00 C ATOM 385 CD2 LEU A 27 -8.280 14.357 0.467 1.00 0.00 C ATOM 0 H LEU A 27 -8.421 12.371 1.623 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.181 12.896 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.523 14.757 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.772 14.777 2.937 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.233 13.464 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.432 15.680 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.421 15.610 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.864 16.472 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.336 14.428 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.738 15.218 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.757 13.442 0.745 1.00 0.00 H new ATOM 397 N SER A 28 -11.496 11.666 2.353 1.00 0.00 N ATOM 398 CA SER A 28 -12.814 11.118 2.294 1.00 0.00 C ATOM 399 C SER A 28 -12.830 9.766 2.995 1.00 0.00 C ATOM 400 O SER A 28 -13.867 9.104 3.093 1.00 0.00 O ATOM 401 CB SER A 28 -13.275 11.007 0.831 1.00 0.00 C ATOM 402 OG SER A 28 -14.585 10.475 0.715 1.00 0.00 O ATOM 0 H SER A 28 -10.944 11.489 1.514 1.00 0.00 H new ATOM 0 HA SER A 28 -13.514 11.777 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.244 11.993 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.579 10.374 0.281 1.00 0.00 H new ATOM 0 HG SER A 28 -14.755 9.859 1.458 1.00 0.00 H new ATOM 408 N GLY A 29 -11.667 9.370 3.450 1.00 0.00 N ATOM 409 CA GLY A 29 -11.511 8.198 4.194 1.00 0.00 C ATOM 410 C GLY A 29 -11.331 6.956 3.359 1.00 0.00 C ATOM 411 O GLY A 29 -11.397 5.845 3.876 1.00 0.00 O ATOM 0 H GLY A 29 -10.798 9.882 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.648 8.310 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.383 8.069 4.834 1.00 0.00 H new ATOM 415 N ARG A 30 -11.068 7.130 2.094 1.00 0.00 N ATOM 416 CA ARG A 30 -10.873 6.021 1.204 1.00 0.00 C ATOM 417 C ARG A 30 -9.423 5.614 1.253 1.00 0.00 C ATOM 418 O ARG A 30 -8.534 6.462 1.379 1.00 0.00 O ATOM 419 CB ARG A 30 -11.243 6.437 -0.204 1.00 0.00 C ATOM 420 CG ARG A 30 -12.667 6.930 -0.330 1.00 0.00 C ATOM 421 CD ARG A 30 -12.850 7.731 -1.595 1.00 0.00 C ATOM 422 NE ARG A 30 -12.038 8.962 -1.577 1.00 0.00 N ATOM 423 CZ ARG A 30 -12.099 9.950 -2.477 1.00 0.00 C ATOM 424 NH1 ARG A 30 -12.883 9.834 -3.554 1.00 0.00 N ATOM 425 NH2 ARG A 30 -11.383 11.055 -2.295 1.00 0.00 N ATOM 0 H ARG A 30 -10.983 8.045 1.651 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.501 5.182 1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.564 7.223 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.099 5.590 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.351 6.081 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.921 7.544 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.572 7.123 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.902 7.990 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.372 9.069 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.438 8.989 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.926 10.590 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.789 11.148 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.427 11.810 -2.979 1.00 0.00 H new ATOM 439 N CYS A 31 -9.181 4.350 1.195 1.00 0.00 N ATOM 440 CA CYS A 31 -7.843 3.847 1.214 1.00 0.00 C ATOM 441 C CYS A 31 -7.343 3.762 -0.214 1.00 0.00 C ATOM 442 O CYS A 31 -7.896 3.033 -1.035 1.00 0.00 O ATOM 443 CB CYS A 31 -7.823 2.509 1.935 1.00 0.00 C ATOM 444 SG CYS A 31 -8.616 2.624 3.587 1.00 0.00 S ATOM 0 H CYS A 31 -9.903 3.632 1.133 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.171 4.510 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.340 1.762 1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.793 2.170 2.047 1.00 0.00 H new ATOM 449 N VAL A 32 -6.327 4.540 -0.502 1.00 0.00 N ATOM 450 CA VAL A 32 -5.818 4.715 -1.812 1.00 0.00 C ATOM 451 C VAL A 32 -4.372 4.185 -1.820 1.00 0.00 C ATOM 452 O VAL A 32 -3.821 4.009 -0.776 1.00 0.00 O ATOM 453 CB VAL A 32 -5.849 6.239 -2.228 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.158 6.932 -1.827 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.633 6.997 -1.706 1.00 0.00 C ATOM 0 H VAL A 32 -5.826 5.080 0.203 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.431 4.171 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.804 6.259 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.126 7.977 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.997 6.435 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.282 6.877 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.695 8.041 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.609 6.941 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.725 6.552 -2.112 1.00 0.00 H new ATOM 465 N PRO A 33 -3.736 3.961 -2.961 1.00 0.00 N ATOM 466 CA PRO A 33 -2.363 3.451 -2.999 1.00 0.00 C ATOM 467 C PRO A 33 -1.329 4.576 -2.828 1.00 0.00 C ATOM 468 O PRO A 33 -1.542 5.692 -3.320 1.00 0.00 O ATOM 469 CB PRO A 33 -2.237 2.859 -4.415 1.00 0.00 C ATOM 470 CG PRO A 33 -3.487 3.252 -5.159 1.00 0.00 C ATOM 471 CD PRO A 33 -4.249 4.221 -4.291 1.00 0.00 C ATOM 0 HA PRO A 33 -2.175 2.738 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.350 3.243 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.135 1.775 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.235 3.711 -6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.095 2.374 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.074 5.254 -4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.324 4.050 -4.347 1.00 0.00 H new ATOM 479 N TYR A 34 -0.241 4.314 -2.106 1.00 0.00 N ATOM 480 CA TYR A 34 0.830 5.283 -2.025 1.00 0.00 C ATOM 481 C TYR A 34 1.580 5.437 -3.337 1.00 0.00 C ATOM 482 O TYR A 34 1.949 4.455 -4.004 1.00 0.00 O ATOM 483 CB TYR A 34 1.784 5.007 -0.828 1.00 0.00 C ATOM 484 CG TYR A 34 3.276 5.285 -1.056 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.766 6.558 -1.388 1.00 0.00 C ATOM 486 CD2 TYR A 34 4.204 4.256 -0.959 1.00 0.00 C ATOM 487 CE1 TYR A 34 5.080 6.761 -1.614 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.533 4.495 -1.182 1.00 0.00 C ATOM 489 CZ TYR A 34 5.966 5.742 -1.515 1.00 0.00 C ATOM 490 OH TYR A 34 7.305 5.973 -1.754 1.00 0.00 O ATOM 0 H TYR A 34 -0.086 3.453 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 34 0.357 6.246 -1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.451 5.609 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.673 3.962 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.080 7.388 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.874 3.259 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.430 7.748 -1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.244 3.687 -1.093 1.00 0.00 H new ATOM 0 HH TYR A 34 7.418 6.861 -2.152 1.00 0.00 H new ATOM 500 N VAL A 35 1.728 6.683 -3.706 1.00 0.00 N ATOM 501 CA VAL A 35 2.535 7.134 -4.764 1.00 0.00 C ATOM 502 C VAL A 35 2.977 8.447 -4.269 1.00 0.00 C ATOM 503 O VAL A 35 2.150 9.178 -3.712 1.00 0.00 O ATOM 504 CB VAL A 35 1.775 7.463 -6.053 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.556 7.077 -7.259 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.337 6.974 -6.077 1.00 0.00 C ATOM 0 H VAL A 35 1.247 7.446 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 35 3.279 6.374 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 35 1.674 8.548 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.987 7.324 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.502 7.618 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.752 6.005 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.125 7.250 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.319 5.890 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.217 7.431 -5.257 1.00 0.00 H new ATOM 516 N ASP A 36 4.203 8.771 -4.404 1.00 0.00 N ATOM 517 CA ASP A 36 4.621 10.044 -3.990 1.00 0.00 C ATOM 518 C ASP A 36 4.708 10.920 -5.090 1.00 0.00 C ATOM 519 O ASP A 36 4.186 10.644 -6.167 1.00 0.00 O ATOM 520 CB ASP A 36 5.823 10.015 -3.065 1.00 0.00 C ATOM 521 CG ASP A 36 7.019 9.312 -3.608 1.00 0.00 C ATOM 522 OD1 ASP A 36 7.375 9.522 -4.794 1.00 0.00 O ATOM 523 OD2 ASP A 36 7.655 8.547 -2.856 1.00 0.00 O ATOM 0 H ASP A 36 4.931 8.174 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 36 3.851 10.466 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.102 11.041 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.532 9.536 -2.130 1.00 0.00 H new ATOM 528 N ALA A 37 5.275 11.989 -4.839 1.00 0.00 N ATOM 529 CA ALA A 37 5.266 13.048 -5.709 1.00 0.00 C ATOM 530 C ALA A 37 6.077 12.764 -6.974 1.00 0.00 C ATOM 531 O ALA A 37 5.907 13.412 -8.003 1.00 0.00 O ATOM 532 CB ALA A 37 5.729 14.199 -4.952 1.00 0.00 C ATOM 0 H ALA A 37 5.788 12.165 -3.975 1.00 0.00 H new ATOM 0 HA ALA A 37 4.265 13.243 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.743 15.077 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.057 14.376 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.735 14.008 -4.578 1.00 0.00 H new ATOM 538 N GLU A 38 6.925 11.770 -6.866 1.00 0.00 N ATOM 539 CA GLU A 38 7.703 11.271 -7.912 1.00 0.00 C ATOM 540 C GLU A 38 6.918 10.233 -8.718 1.00 0.00 C ATOM 541 O GLU A 38 7.434 9.706 -9.703 1.00 0.00 O ATOM 542 CB GLU A 38 8.919 10.616 -7.336 1.00 0.00 C ATOM 543 CG GLU A 38 9.922 11.556 -6.695 1.00 0.00 C ATOM 544 CD GLU A 38 10.993 10.785 -5.972 1.00 0.00 C ATOM 545 OE1 GLU A 38 11.733 10.041 -6.611 1.00 0.00 O ATOM 546 OE2 GLU A 38 11.010 10.823 -4.724 1.00 0.00 O ATOM 0 H GLU A 38 7.080 11.278 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 38 7.982 12.093 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.600 9.888 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.422 10.061 -8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.375 12.187 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.411 12.219 -5.997 1.00 0.00 H new ATOM 553 N GLN A 39 5.663 9.915 -8.257 1.00 0.00 N ATOM 554 CA GLN A 39 4.798 8.978 -8.860 1.00 0.00 C ATOM 555 C GLN A 39 5.388 7.593 -8.743 1.00 0.00 C ATOM 556 O GLN A 39 5.166 6.712 -9.574 1.00 0.00 O ATOM 557 CB GLN A 39 4.529 9.411 -10.258 1.00 0.00 C ATOM 558 CG GLN A 39 3.793 10.736 -10.326 1.00 0.00 C ATOM 559 CD GLN A 39 2.415 10.699 -9.692 1.00 0.00 C ATOM 560 OE1 GLN A 39 1.736 9.684 -9.689 1.00 0.00 O ATOM 561 NE2 GLN A 39 2.004 11.807 -9.132 1.00 0.00 N ATOM 0 H GLN A 39 5.262 10.347 -7.425 1.00 0.00 H new ATOM 0 HA GLN A 39 3.835 8.934 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.473 9.496 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.941 8.646 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.391 11.500 -9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.696 11.035 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.595 12.638 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.092 11.840 -8.676 1.00 0.00 H new ATOM 570 N LYS A 40 6.092 7.387 -7.638 1.00 0.00 N ATOM 571 CA LYS A 40 6.656 6.115 -7.368 1.00 0.00 C ATOM 572 C LYS A 40 5.701 5.314 -6.562 1.00 0.00 C ATOM 573 O LYS A 40 4.984 5.848 -5.727 1.00 0.00 O ATOM 574 CB LYS A 40 7.978 6.216 -6.649 1.00 0.00 C ATOM 575 CG LYS A 40 7.949 6.240 -5.119 1.00 0.00 C ATOM 576 CD LYS A 40 9.357 6.082 -4.524 1.00 0.00 C ATOM 577 CE LYS A 40 10.299 7.233 -4.891 1.00 0.00 C ATOM 578 NZ LYS A 40 9.849 8.512 -4.336 1.00 0.00 N ATOM 0 H LYS A 40 6.274 8.097 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 40 6.846 5.626 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.596 5.374 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.478 7.122 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.512 7.178 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.307 5.438 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.281 6.015 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.788 5.143 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.301 7.012 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.367 7.313 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.655 9.167 -4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.117 8.920 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.455 8.359 -3.386 1.00 0.00 H new ATOM 592 N ASN A 41 5.704 4.062 -6.784 1.00 0.00 N ATOM 593 CA ASN A 41 4.809 3.202 -6.110 1.00 0.00 C ATOM 594 C ASN A 41 5.613 2.313 -5.199 1.00 0.00 C ATOM 595 O ASN A 41 6.849 2.293 -5.270 1.00 0.00 O ATOM 596 CB ASN A 41 4.067 2.381 -7.133 1.00 0.00 C ATOM 597 CG ASN A 41 2.814 1.691 -6.592 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.855 0.548 -6.140 1.00 0.00 O ATOM 599 ND2 ASN A 41 1.706 2.388 -6.609 1.00 0.00 N ATOM 0 H ASN A 41 6.329 3.596 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 41 4.086 3.766 -5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.783 3.027 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.741 1.624 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.844 1.985 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.704 3.334 -6.991 1.00 0.00 H new ATOM 606 N LEU A 42 4.935 1.555 -4.413 1.00 0.00 N ATOM 607 CA LEU A 42 5.535 0.726 -3.425 1.00 0.00 C ATOM 608 C LEU A 42 4.621 -0.438 -3.058 1.00 0.00 C ATOM 609 O LEU A 42 3.620 -0.294 -2.336 1.00 0.00 O ATOM 610 CB LEU A 42 5.952 1.567 -2.197 1.00 0.00 C ATOM 611 CG LEU A 42 6.219 0.830 -0.897 1.00 0.00 C ATOM 612 CD1 LEU A 42 7.333 -0.188 -1.013 1.00 0.00 C ATOM 613 CD2 LEU A 42 6.477 1.755 0.276 1.00 0.00 C ATOM 0 H LEU A 42 3.917 1.491 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 42 6.444 0.287 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.853 2.121 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.169 2.302 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 42 5.292 0.293 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.476 -0.682 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.070 -0.931 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.256 0.314 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.660 1.163 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.349 2.375 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.608 2.393 0.434 1.00 0.00 H new ATOM 625 N PHE A 43 4.906 -1.557 -3.664 1.00 0.00 N ATOM 626 CA PHE A 43 4.325 -2.783 -3.340 1.00 0.00 C ATOM 627 C PHE A 43 4.920 -3.276 -2.017 1.00 0.00 C ATOM 628 O PHE A 43 6.086 -2.998 -1.724 1.00 0.00 O ATOM 629 CB PHE A 43 4.592 -3.750 -4.496 1.00 0.00 C ATOM 630 CG PHE A 43 6.059 -4.055 -4.770 1.00 0.00 C ATOM 631 CD1 PHE A 43 6.805 -3.237 -5.609 1.00 0.00 C ATOM 632 CD2 PHE A 43 6.679 -5.153 -4.198 1.00 0.00 C ATOM 633 CE1 PHE A 43 8.134 -3.507 -5.865 1.00 0.00 C ATOM 634 CE2 PHE A 43 8.010 -5.425 -4.450 1.00 0.00 C ATOM 635 CZ PHE A 43 8.737 -4.603 -5.284 1.00 0.00 C ATOM 0 H PHE A 43 5.581 -1.617 -4.426 1.00 0.00 H new ATOM 0 HA PHE A 43 3.247 -2.701 -3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.077 -4.688 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.149 -3.337 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.338 -2.378 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.115 -5.805 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.701 -2.861 -6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.481 -6.283 -3.993 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.777 -4.817 -5.482 1.00 0.00 H new ATOM 645 N LEU A 44 4.134 -3.966 -1.227 1.00 0.00 N ATOM 646 CA LEU A 44 4.546 -4.486 0.034 1.00 0.00 C ATOM 647 C LEU A 44 5.726 -5.479 -0.113 1.00 0.00 C ATOM 648 O LEU A 44 6.174 -5.802 -1.207 1.00 0.00 O ATOM 649 CB LEU A 44 3.398 -5.244 0.728 1.00 0.00 C ATOM 650 CG LEU A 44 2.170 -4.448 1.136 1.00 0.00 C ATOM 651 CD1 LEU A 44 1.162 -5.362 1.806 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.554 -3.340 2.075 1.00 0.00 C ATOM 0 H LEU A 44 3.165 -4.182 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 44 4.852 -3.625 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.073 -6.043 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.802 -5.719 1.622 1.00 0.00 H new ATOM 0 HG LEU A 44 1.723 -4.012 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.284 -4.785 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.866 -6.148 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.610 -5.810 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.664 -2.778 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.016 -3.763 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.261 -2.674 1.581 1.00 0.00 H new ATOM 664 N ARG A 45 6.243 -5.930 0.990 1.00 0.00 N ATOM 665 CA ARG A 45 7.229 -6.968 0.979 1.00 0.00 C ATOM 666 C ARG A 45 6.546 -8.344 0.991 1.00 0.00 C ATOM 667 O ARG A 45 5.366 -8.448 1.344 1.00 0.00 O ATOM 668 CB ARG A 45 8.164 -6.831 2.158 1.00 0.00 C ATOM 669 CG ARG A 45 9.475 -6.037 1.925 1.00 0.00 C ATOM 670 CD ARG A 45 9.295 -4.550 1.565 1.00 0.00 C ATOM 671 NE ARG A 45 8.785 -4.313 0.194 1.00 0.00 N ATOM 672 CZ ARG A 45 9.400 -3.556 -0.742 1.00 0.00 C ATOM 673 NH1 ARG A 45 10.641 -3.092 -0.535 1.00 0.00 N ATOM 674 NH2 ARG A 45 8.776 -3.274 -1.877 1.00 0.00 N ATOM 0 H ARG A 45 5.995 -5.591 1.919 1.00 0.00 H new ATOM 0 HA ARG A 45 7.819 -6.876 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.617 -6.352 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.430 -7.832 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.084 -6.103 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.035 -6.521 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.608 -4.096 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.253 -4.042 1.677 1.00 0.00 H new ATOM 0 HE ARG A 45 7.902 -4.755 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.128 -3.310 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.097 -2.522 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.834 -3.628 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.238 -2.703 -2.585 1.00 0.00 H new ATOM 688 N LYS A 46 7.301 -9.382 0.672 1.00 0.00 N ATOM 689 CA LYS A 46 6.752 -10.737 0.547 1.00 0.00 C ATOM 690 C LYS A 46 6.315 -11.331 1.886 1.00 0.00 C ATOM 691 O LYS A 46 7.014 -11.210 2.903 1.00 0.00 O ATOM 692 CB LYS A 46 7.728 -11.698 -0.181 1.00 0.00 C ATOM 693 CG LYS A 46 9.125 -11.773 0.435 1.00 0.00 C ATOM 694 CD LYS A 46 10.034 -12.869 -0.177 1.00 0.00 C ATOM 695 CE LYS A 46 10.261 -12.723 -1.691 1.00 0.00 C ATOM 696 NZ LYS A 46 9.276 -13.477 -2.505 1.00 0.00 N ATOM 0 H LYS A 46 8.303 -9.319 0.492 1.00 0.00 H new ATOM 0 HA LYS A 46 5.857 -10.631 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.294 -12.698 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.820 -11.383 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.613 -10.806 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.028 -11.954 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.000 -12.849 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.591 -13.845 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.212 -11.668 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.265 -13.068 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.027 -12.923 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.690 -14.385 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.420 -13.652 -1.940 1.00 0.00 H new ATOM 710 N GLY A 47 5.129 -11.893 1.885 1.00 0.00 N ATOM 711 CA GLY A 47 4.610 -12.601 3.024 1.00 0.00 C ATOM 712 C GLY A 47 3.920 -11.688 3.987 1.00 0.00 C ATOM 713 O GLY A 47 3.968 -11.885 5.206 1.00 0.00 O ATOM 0 H GLY A 47 4.495 -11.870 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.911 -13.367 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.425 -13.115 3.533 1.00 0.00 H new ATOM 717 N LYS A 48 3.378 -10.622 3.476 1.00 0.00 N ATOM 718 CA LYS A 48 2.548 -9.778 4.260 1.00 0.00 C ATOM 719 C LYS A 48 1.114 -10.151 3.969 1.00 0.00 C ATOM 720 O LYS A 48 0.784 -10.392 2.812 1.00 0.00 O ATOM 721 CB LYS A 48 2.807 -8.297 3.966 1.00 0.00 C ATOM 722 CG LYS A 48 3.737 -7.555 4.972 1.00 0.00 C ATOM 723 CD LYS A 48 5.257 -7.641 4.684 1.00 0.00 C ATOM 724 CE LYS A 48 5.853 -9.047 4.754 1.00 0.00 C ATOM 725 NZ LYS A 48 5.665 -9.714 6.070 1.00 0.00 N ATOM 0 H LYS A 48 3.502 -10.321 2.509 1.00 0.00 H new ATOM 0 HA LYS A 48 2.769 -9.919 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.243 -8.215 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.848 -7.779 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.451 -6.504 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.553 -7.955 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.446 -7.232 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.782 -7.005 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.400 -9.663 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.919 -8.991 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.587 -10.031 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.240 -9.043 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.037 -10.535 5.956 1.00 0.00 H new ATOM 739 N PRO A 49 0.276 -10.282 5.003 1.00 0.00 N ATOM 740 CA PRO A 49 -1.126 -10.656 4.824 1.00 0.00 C ATOM 741 C PRO A 49 -1.912 -9.577 4.096 1.00 0.00 C ATOM 742 O PRO A 49 -1.753 -8.380 4.361 1.00 0.00 O ATOM 743 CB PRO A 49 -1.646 -10.837 6.256 1.00 0.00 C ATOM 744 CG PRO A 49 -0.723 -10.038 7.107 1.00 0.00 C ATOM 745 CD PRO A 49 0.613 -10.071 6.424 1.00 0.00 C ATOM 0 HA PRO A 49 -1.235 -11.552 4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.673 -10.485 6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.641 -11.887 6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.080 -9.014 7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.657 -10.458 8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.161 -9.140 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.240 -10.875 6.810 1.00 0.00 H new ATOM 753 N CYS A 50 -2.724 -9.999 3.190 1.00 0.00 N ATOM 754 CA CYS A 50 -3.517 -9.133 2.417 1.00 0.00 C ATOM 755 C CYS A 50 -4.958 -9.621 2.464 1.00 0.00 C ATOM 756 O CYS A 50 -5.361 -10.262 3.438 1.00 0.00 O ATOM 757 CB CYS A 50 -2.985 -9.109 0.986 1.00 0.00 C ATOM 758 SG CYS A 50 -3.103 -10.690 0.082 1.00 0.00 S ATOM 0 H CYS A 50 -2.852 -10.986 2.967 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.479 -8.117 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.529 -8.348 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.940 -8.800 1.010 1.00 0.00 H new ATOM 763 N THR A 51 -5.716 -9.297 1.446 1.00 0.00 N ATOM 764 CA THR A 51 -7.099 -9.681 1.315 1.00 0.00 C ATOM 765 C THR A 51 -7.297 -11.187 1.333 1.00 0.00 C ATOM 766 O THR A 51 -7.927 -11.745 2.227 1.00 0.00 O ATOM 767 CB THR A 51 -7.608 -9.156 -0.026 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.581 -9.370 -1.021 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.906 -7.707 0.057 1.00 0.00 C ATOM 0 H THR A 51 -5.376 -8.741 0.661 1.00 0.00 H new ATOM 0 HA THR A 51 -7.642 -9.264 2.163 1.00 0.00 H new ATOM 0 HB THR A 51 -8.523 -9.684 -0.293 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.987 -8.591 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.267 -7.354 -0.909 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.670 -7.536 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.000 -7.164 0.326 1.00 0.00 H new ATOM 777 N VAL A 52 -6.779 -11.809 0.319 1.00 0.00 N ATOM 778 CA VAL A 52 -6.965 -13.225 0.110 1.00 0.00 C ATOM 779 C VAL A 52 -5.946 -14.114 0.823 1.00 0.00 C ATOM 780 O VAL A 52 -6.289 -15.212 1.266 1.00 0.00 O ATOM 781 CB VAL A 52 -7.095 -13.575 -1.396 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.300 -12.855 -1.989 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.838 -13.215 -2.184 1.00 0.00 C ATOM 0 H VAL A 52 -6.211 -11.353 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.916 -13.457 0.590 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.229 -14.654 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.388 -13.103 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.204 -13.168 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.171 -11.778 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.978 -13.479 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.651 -12.144 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.987 -13.764 -1.782 1.00 0.00 H new ATOM 793 N GLY A 53 -4.745 -13.647 0.952 1.00 0.00 N ATOM 794 CA GLY A 53 -3.730 -14.418 1.586 1.00 0.00 C ATOM 795 C GLY A 53 -2.492 -13.612 1.877 1.00 0.00 C ATOM 796 O GLY A 53 -2.508 -12.726 2.753 1.00 0.00 O ATOM 0 H GLY A 53 -4.444 -12.729 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.119 -14.830 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.468 -15.263 0.949 1.00 0.00 H new ATOM 800 N PHE A 54 -1.421 -13.894 1.167 1.00 0.00 N ATOM 801 CA PHE A 54 -0.179 -13.193 1.357 1.00 0.00 C ATOM 802 C PHE A 54 0.325 -12.586 0.075 1.00 0.00 C ATOM 803 O PHE A 54 0.178 -13.141 -1.011 1.00 0.00 O ATOM 804 CB PHE A 54 0.908 -14.082 1.954 1.00 0.00 C ATOM 805 CG PHE A 54 0.601 -14.600 3.332 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.873 -13.831 4.450 1.00 0.00 C ATOM 807 CD2 PHE A 54 0.035 -15.854 3.509 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.592 -14.299 5.717 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.248 -16.328 4.774 1.00 0.00 C ATOM 810 CZ PHE A 54 0.030 -15.549 5.881 1.00 0.00 C ATOM 0 H PHE A 54 -1.391 -14.614 0.445 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.399 -12.395 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.073 -14.930 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.841 -13.519 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.311 -12.851 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.187 -16.466 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.812 -13.688 6.580 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.686 -17.307 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.192 -15.917 6.872 1.00 0.00 H new ATOM 820 N CYS A 55 0.952 -11.479 0.228 1.00 0.00 N ATOM 821 CA CYS A 55 1.503 -10.722 -0.867 1.00 0.00 C ATOM 822 C CYS A 55 2.908 -11.102 -1.139 1.00 0.00 C ATOM 823 O CYS A 55 3.702 -11.221 -0.212 1.00 0.00 O ATOM 824 CB CYS A 55 1.516 -9.266 -0.515 1.00 0.00 C ATOM 825 SG CYS A 55 -0.110 -8.532 -0.396 1.00 0.00 S ATOM 0 H CYS A 55 1.108 -11.050 1.140 1.00 0.00 H new ATOM 0 HA CYS A 55 0.884 -10.926 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.032 -9.137 0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.093 -8.726 -1.266 1.00 0.00 H new ATOM 830 N ASP A 56 3.247 -11.285 -2.380 1.00 0.00 N ATOM 831 CA ASP A 56 4.647 -11.462 -2.696 1.00 0.00 C ATOM 832 C ASP A 56 5.162 -10.179 -3.374 1.00 0.00 C ATOM 833 O ASP A 56 4.407 -9.211 -3.513 1.00 0.00 O ATOM 834 CB ASP A 56 4.926 -12.717 -3.540 1.00 0.00 C ATOM 835 CG ASP A 56 6.388 -13.133 -3.409 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.726 -13.853 -2.462 1.00 0.00 O ATOM 837 OD2 ASP A 56 7.250 -12.656 -4.187 1.00 0.00 O ATOM 0 H ASP A 56 2.605 -11.316 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 56 5.192 -11.630 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.279 -13.532 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.690 -12.519 -4.586 1.00 0.00 H new ATOM 842 N MET A 57 6.397 -10.183 -3.851 1.00 0.00 N ATOM 843 CA MET A 57 7.053 -8.992 -4.412 1.00 0.00 C ATOM 844 C MET A 57 6.560 -8.676 -5.810 1.00 0.00 C ATOM 845 O MET A 57 7.023 -7.748 -6.452 1.00 0.00 O ATOM 846 CB MET A 57 8.574 -9.155 -4.395 1.00 0.00 C ATOM 847 CG MET A 57 9.164 -9.169 -2.995 1.00 0.00 C ATOM 848 SD MET A 57 10.939 -9.509 -2.959 1.00 0.00 S ATOM 849 CE MET A 57 11.583 -8.143 -3.936 1.00 0.00 C ATOM 0 H MET A 57 6.985 -11.016 -3.864 1.00 0.00 H new ATOM 0 HA MET A 57 6.786 -8.146 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.838 -10.083 -4.902 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.025 -8.342 -4.963 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.978 -8.205 -2.522 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.647 -9.921 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.662 -8.074 -3.798 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.362 -8.313 -4.990 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.116 -7.213 -3.613 1.00 0.00 H new ATOM 859 N ASN A 58 5.627 -9.461 -6.269 1.00 0.00 N ATOM 860 CA ASN A 58 4.977 -9.217 -7.537 1.00 0.00 C ATOM 861 C ASN A 58 3.846 -8.206 -7.322 1.00 0.00 C ATOM 862 O ASN A 58 3.386 -7.549 -8.244 1.00 0.00 O ATOM 863 CB ASN A 58 4.446 -10.548 -8.115 1.00 0.00 C ATOM 864 CG ASN A 58 3.683 -10.397 -9.426 1.00 0.00 C ATOM 865 OD1 ASN A 58 2.472 -10.267 -9.435 1.00 0.00 O ATOM 866 ND2 ASN A 58 4.386 -10.425 -10.534 1.00 0.00 N ATOM 0 H ASN A 58 5.291 -10.290 -5.779 1.00 0.00 H new ATOM 0 HA ASN A 58 5.684 -8.803 -8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.286 -11.224 -8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.793 -11.016 -7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.919 -10.337 -11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.399 -10.535 -10.492 1.00 0.00 H new ATOM 873 N GLY A 59 3.447 -8.052 -6.062 1.00 0.00 N ATOM 874 CA GLY A 59 2.369 -7.154 -5.729 1.00 0.00 C ATOM 875 C GLY A 59 1.052 -7.851 -5.778 1.00 0.00 C ATOM 876 O GLY A 59 0.014 -7.222 -5.737 1.00 0.00 O ATOM 0 H GLY A 59 3.858 -8.539 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.529 -6.743 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.365 -6.314 -6.423 1.00 0.00 H new ATOM 880 N LYS A 60 1.109 -9.135 -5.857 1.00 0.00 N ATOM 881 CA LYS A 60 -0.053 -9.972 -5.823 1.00 0.00 C ATOM 882 C LYS A 60 -0.085 -10.736 -4.605 1.00 0.00 C ATOM 883 O LYS A 60 0.948 -11.065 -4.008 1.00 0.00 O ATOM 884 CB LYS A 60 -0.083 -10.975 -6.960 1.00 0.00 C ATOM 885 CG LYS A 60 -0.686 -10.494 -8.252 1.00 0.00 C ATOM 886 CD LYS A 60 -0.766 -11.626 -9.305 1.00 0.00 C ATOM 887 CE LYS A 60 -1.846 -12.721 -9.013 1.00 0.00 C ATOM 888 NZ LYS A 60 -1.618 -13.533 -7.778 1.00 0.00 N ATOM 0 H LYS A 60 1.984 -9.651 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.906 -9.298 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.939 -11.299 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.638 -11.853 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.685 -10.102 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.090 -9.671 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.973 -11.183 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.209 -12.108 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.819 -12.236 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.895 -13.396 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.103 -14.448 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.598 -13.693 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.994 -13.023 -6.953 1.00 0.00 H new ATOM 902 N CYS A 61 -1.259 -10.989 -4.249 1.00 0.00 N ATOM 903 CA CYS A 61 -1.588 -11.921 -3.281 1.00 0.00 C ATOM 904 C CYS A 61 -1.610 -13.198 -4.075 1.00 0.00 C ATOM 905 O CYS A 61 -2.242 -13.198 -5.163 1.00 0.00 O ATOM 906 CB CYS A 61 -2.976 -11.615 -2.823 1.00 0.00 C ATOM 907 SG CYS A 61 -3.235 -10.099 -1.854 1.00 0.00 S ATOM 0 H CYS A 61 -2.071 -10.521 -4.651 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.925 -11.949 -2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.615 -11.562 -3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.325 -12.458 -2.226 1.00 0.00 H new ATOM 912 N GLU A 62 -0.907 -14.211 -3.578 1.00 0.00 N ATOM 913 CA GLU A 62 -0.655 -15.493 -4.244 1.00 0.00 C ATOM 914 C GLU A 62 -0.847 -15.505 -5.779 1.00 0.00 C ATOM 915 O GLU A 62 0.093 -15.056 -6.507 1.00 0.00 O ATOM 916 CB GLU A 62 -1.274 -16.698 -3.489 1.00 0.00 C ATOM 917 CG GLU A 62 -2.610 -16.453 -2.760 1.00 0.00 C ATOM 918 CD GLU A 62 -2.456 -15.616 -1.484 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.863 -16.108 -0.492 1.00 0.00 O ATOM 920 OE2 GLU A 62 -2.914 -14.460 -1.464 1.00 0.00 O ATOM 921 OXT GLU A 62 -1.943 -15.847 -6.287 1.00 0.00 O ATOM 0 H GLU A 62 -0.475 -14.162 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 62 0.423 -15.632 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.421 -17.507 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.547 -17.049 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.299 -15.948 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.059 -17.413 -2.505 1.00 0.00 H new TER 928 GLU A 62