USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 24 ASN : amide:sc= -0.309! C(o=-2.1!,f=-17!) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.76 K(o=-2.1,f=-7.4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 35 TYR OH : rot 15:sc= -4.18! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.18 K(o=-2.2,f=-7.3!) USER MOD Single : A 44 ASN : amide:sc= -4.9 K(o=-4.9,f=-11!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 166:sc= 0.358 USER MOD Single : A 54 THR OG1 : rot 139:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 -7.231 -11.698 -0.389 1.00 0.00 N ATOM 28 CA PRO A 2 -8.493 -10.965 -0.272 1.00 0.00 C ATOM 29 C PRO A 2 -8.750 -10.073 -1.482 1.00 0.00 C ATOM 30 O PRO A 2 -7.817 -9.645 -2.160 1.00 0.00 O ATOM 31 CB PRO A 2 -8.317 -10.112 0.987 1.00 0.00 C ATOM 32 CG PRO A 2 -7.189 -10.730 1.739 1.00 0.00 C ATOM 33 CD PRO A 2 -6.305 -11.388 0.714 1.00 0.00 C ATOM 0 HA PRO A 2 -9.346 -11.642 -0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.095 -9.076 0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.228 -10.104 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.638 -9.976 2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.557 -11.460 2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.503 -10.725 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.834 -12.289 1.108 1.00 0.00 H new ATOM 41 N ASP A 3 -10.021 -9.804 -1.752 1.00 0.00 N ATOM 42 CA ASP A 3 -10.405 -8.970 -2.886 1.00 0.00 C ATOM 43 C ASP A 3 -9.609 -7.665 -2.933 1.00 0.00 C ATOM 44 O ASP A 3 -8.935 -7.374 -3.921 1.00 0.00 O ATOM 45 CB ASP A 3 -11.903 -8.657 -2.824 1.00 0.00 C ATOM 46 CG ASP A 3 -12.651 -9.154 -4.047 1.00 0.00 C ATOM 47 OD1 ASP A 3 -12.319 -8.710 -5.166 1.00 0.00 O ATOM 48 OD2 ASP A 3 -13.567 -9.988 -3.883 1.00 0.00 O ATOM 0 H ASP A 3 -10.806 -10.152 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.181 -9.531 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.330 -9.113 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.042 -7.580 -2.729 1.00 0.00 H new ATOM 53 N PHE A 4 -9.705 -6.877 -1.867 1.00 0.00 N ATOM 54 CA PHE A 4 -9.020 -5.597 -1.787 1.00 0.00 C ATOM 55 C PHE A 4 -7.528 -5.715 -2.101 1.00 0.00 C ATOM 56 O PHE A 4 -6.908 -4.749 -2.547 1.00 0.00 O ATOM 57 CB PHE A 4 -9.224 -4.997 -0.400 1.00 0.00 C ATOM 58 CG PHE A 4 -8.520 -5.747 0.691 1.00 0.00 C ATOM 59 CD1 PHE A 4 -7.144 -5.669 0.825 1.00 0.00 C ATOM 60 CD2 PHE A 4 -9.233 -6.528 1.582 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.494 -6.359 1.826 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.588 -7.222 2.586 1.00 0.00 C ATOM 63 CZ PHE A 4 -7.216 -7.138 2.709 1.00 0.00 C ATOM 0 H PHE A 4 -10.257 -7.108 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.452 -4.941 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.872 -3.965 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.291 -4.969 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.574 -5.061 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.307 -6.596 1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.420 -6.290 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.156 -7.830 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.708 -7.680 3.493 1.00 0.00 H new ATOM 73 N CYS A 5 -6.950 -6.895 -1.878 1.00 0.00 N ATOM 74 CA CYS A 5 -5.528 -7.100 -2.156 1.00 0.00 C ATOM 75 C CYS A 5 -5.212 -6.759 -3.613 1.00 0.00 C ATOM 76 O CYS A 5 -4.069 -6.455 -3.955 1.00 0.00 O ATOM 77 CB CYS A 5 -5.112 -8.541 -1.839 1.00 0.00 C ATOM 78 SG CYS A 5 -3.378 -8.923 -2.248 1.00 0.00 S ATOM 0 H CYS A 5 -7.436 -7.713 -1.511 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.956 -6.432 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.273 -8.729 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.762 -9.224 -2.386 1.00 0.00 H new ATOM 83 N LEU A 6 -6.239 -6.793 -4.463 1.00 0.00 N ATOM 84 CA LEU A 6 -6.077 -6.474 -5.879 1.00 0.00 C ATOM 85 C LEU A 6 -6.331 -4.988 -6.139 1.00 0.00 C ATOM 86 O LEU A 6 -6.758 -4.607 -7.229 1.00 0.00 O ATOM 87 CB LEU A 6 -7.035 -7.316 -6.725 1.00 0.00 C ATOM 88 CG LEU A 6 -7.176 -8.775 -6.291 1.00 0.00 C ATOM 89 CD1 LEU A 6 -8.383 -9.415 -6.960 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.909 -9.551 -6.618 1.00 0.00 C ATOM 0 H LEU A 6 -7.192 -7.039 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.049 -6.705 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.020 -6.850 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.696 -7.293 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.327 -8.802 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.468 -10.453 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.285 -8.873 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.261 -9.378 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.026 -10.588 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.728 -9.517 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.064 -9.105 -6.094 1.00 0.00 H new ATOM 102 N GLU A 7 -6.073 -4.154 -5.135 1.00 0.00 N ATOM 103 CA GLU A 7 -6.279 -2.714 -5.261 1.00 0.00 C ATOM 104 C GLU A 7 -4.943 -1.979 -5.383 1.00 0.00 C ATOM 105 O GLU A 7 -4.038 -2.188 -4.576 1.00 0.00 O ATOM 106 CB GLU A 7 -7.060 -2.186 -4.055 1.00 0.00 C ATOM 107 CG GLU A 7 -7.508 -0.742 -4.202 1.00 0.00 C ATOM 108 CD GLU A 7 -7.551 -0.006 -2.877 1.00 0.00 C ATOM 109 OE1 GLU A 7 -6.498 0.081 -2.211 1.00 0.00 O ATOM 110 OE2 GLU A 7 -8.640 0.477 -2.501 1.00 0.00 O ATOM 0 H GLU A 7 -5.721 -4.451 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.855 -2.530 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.936 -2.815 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.439 -2.275 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.831 -0.223 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.497 -0.717 -4.659 1.00 0.00 H new ATOM 117 N PRO A 8 -4.802 -1.094 -6.390 1.00 0.00 N ATOM 118 CA PRO A 8 -3.567 -0.326 -6.599 1.00 0.00 C ATOM 119 C PRO A 8 -3.278 0.637 -5.451 1.00 0.00 C ATOM 120 O PRO A 8 -4.166 0.958 -4.661 1.00 0.00 O ATOM 121 CB PRO A 8 -3.838 0.452 -7.891 1.00 0.00 C ATOM 122 CG PRO A 8 -5.323 0.510 -8.001 1.00 0.00 C ATOM 123 CD PRO A 8 -5.833 -0.763 -7.391 1.00 0.00 C ATOM 0 HA PRO A 8 -2.694 -0.976 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.406 1.452 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.397 -0.049 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.719 1.380 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.634 0.596 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.811 -0.625 -6.931 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.939 -1.552 -8.136 1.00 0.00 H new ATOM 131 N PRO A 9 -2.025 1.122 -5.350 1.00 0.00 N ATOM 132 CA PRO A 9 -1.621 2.061 -4.292 1.00 0.00 C ATOM 133 C PRO A 9 -2.236 3.444 -4.484 1.00 0.00 C ATOM 134 O PRO A 9 -2.402 3.908 -5.611 1.00 0.00 O ATOM 135 CB PRO A 9 -0.099 2.123 -4.444 1.00 0.00 C ATOM 136 CG PRO A 9 0.145 1.810 -5.878 1.00 0.00 C ATOM 137 CD PRO A 9 -0.907 0.806 -6.260 1.00 0.00 C ATOM 0 HA PRO A 9 -1.952 1.738 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.286 3.108 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.395 1.403 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.071 2.707 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.146 1.404 -6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.199 0.907 -7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.555 -0.217 -6.125 1.00 0.00 H new ATOM 145 N TYR A 10 -2.578 4.096 -3.376 1.00 0.00 N ATOM 146 CA TYR A 10 -3.184 5.428 -3.422 1.00 0.00 C ATOM 147 C TYR A 10 -2.329 6.448 -2.665 1.00 0.00 C ATOM 148 O TYR A 10 -2.093 6.309 -1.465 1.00 0.00 O ATOM 149 CB TYR A 10 -4.594 5.375 -2.829 1.00 0.00 C ATOM 150 CG TYR A 10 -5.426 6.601 -3.132 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.931 6.826 -4.407 1.00 0.00 C ATOM 152 CD2 TYR A 10 -5.695 7.540 -2.145 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.681 7.951 -4.689 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.444 8.669 -2.419 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.935 8.870 -3.692 1.00 0.00 C ATOM 156 OH TYR A 10 -7.680 9.996 -3.968 1.00 0.00 O ATOM 0 H TYR A 10 -2.447 3.726 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.242 5.745 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.108 4.494 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.520 5.255 -1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.734 6.109 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.313 7.386 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.067 8.110 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.644 9.390 -1.640 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.766 10.538 -3.156 1.00 0.00 H new ATOM 166 N THR A 11 -1.867 7.470 -3.382 1.00 0.00 N ATOM 167 CA THR A 11 -1.027 8.517 -2.796 1.00 0.00 C ATOM 168 C THR A 11 -1.838 9.762 -2.430 1.00 0.00 C ATOM 169 O THR A 11 -1.327 10.666 -1.769 1.00 0.00 O ATOM 170 CB THR A 11 0.071 8.904 -3.788 1.00 0.00 C ATOM 171 OG1 THR A 11 0.906 7.795 -4.071 1.00 0.00 O ATOM 172 CG2 THR A 11 0.954 10.032 -3.304 1.00 0.00 C ATOM 0 H THR A 11 -2.061 7.597 -4.375 1.00 0.00 H new ATOM 0 HA THR A 11 -0.591 8.119 -1.880 1.00 0.00 H new ATOM 0 HB THR A 11 -0.457 9.240 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.601 8.063 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.709 10.252 -4.058 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.347 10.920 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.444 9.738 -2.376 1.00 0.00 H new ATOM 180 N GLY A 12 -3.095 9.813 -2.861 1.00 0.00 N ATOM 181 CA GLY A 12 -3.937 10.944 -2.565 1.00 0.00 C ATOM 182 C GLY A 12 -3.402 12.249 -3.131 1.00 0.00 C ATOM 183 O GLY A 12 -2.245 12.321 -3.547 1.00 0.00 O ATOM 0 H GLY A 12 -3.542 9.082 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.934 10.762 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.041 11.039 -1.484 1.00 0.00 H new ATOM 187 N PRO A 13 -4.237 13.307 -3.179 1.00 0.00 N ATOM 188 CA PRO A 13 -3.844 14.613 -3.717 1.00 0.00 C ATOM 189 C PRO A 13 -2.951 15.410 -2.765 1.00 0.00 C ATOM 190 O PRO A 13 -2.410 16.450 -3.141 1.00 0.00 O ATOM 191 CB PRO A 13 -5.181 15.348 -3.924 1.00 0.00 C ATOM 192 CG PRO A 13 -6.254 14.348 -3.626 1.00 0.00 C ATOM 193 CD PRO A 13 -5.635 13.313 -2.733 1.00 0.00 C ATOM 0 HA PRO A 13 -3.256 14.498 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.258 16.211 -3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.267 15.720 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.104 14.825 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.628 13.895 -4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.724 13.579 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.105 12.337 -2.856 1.00 0.00 H new ATOM 201 N CYS A 14 -2.808 14.930 -1.534 1.00 0.00 N ATOM 202 CA CYS A 14 -1.986 15.613 -0.540 1.00 0.00 C ATOM 203 C CYS A 14 -0.564 15.828 -1.043 1.00 0.00 C ATOM 204 O CYS A 14 -0.200 15.380 -2.131 1.00 0.00 O ATOM 205 CB CYS A 14 -1.970 14.826 0.769 1.00 0.00 C ATOM 206 SG CYS A 14 -3.414 15.140 1.832 1.00 0.00 S ATOM 0 H CYS A 14 -3.249 14.073 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.429 16.593 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.923 13.761 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.063 15.075 1.321 1.00 0.00 H new ATOM 211 N ARG A 15 0.224 16.539 -0.247 1.00 0.00 N ATOM 212 CA ARG A 15 1.605 16.845 -0.606 1.00 0.00 C ATOM 213 C ARG A 15 2.595 16.333 0.441 1.00 0.00 C ATOM 214 O ARG A 15 3.648 16.935 0.655 1.00 0.00 O ATOM 215 CB ARG A 15 1.775 18.356 -0.786 1.00 0.00 C ATOM 216 CG ARG A 15 2.527 18.741 -2.050 1.00 0.00 C ATOM 217 CD ARG A 15 1.575 18.977 -3.213 1.00 0.00 C ATOM 218 NE ARG A 15 1.727 17.966 -4.256 1.00 0.00 N ATOM 219 CZ ARG A 15 0.745 17.587 -5.073 1.00 0.00 C ATOM 220 NH1 ARG A 15 -0.458 18.140 -4.982 1.00 0.00 N ATOM 221 NH2 ARG A 15 0.971 16.655 -5.988 1.00 0.00 N ATOM 0 H ARG A 15 -0.069 16.916 0.654 1.00 0.00 H new ATOM 0 HA ARG A 15 1.822 16.335 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.791 18.824 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.304 18.758 0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.111 19.643 -1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.233 17.952 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.548 18.970 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.757 19.965 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 15 2.639 17.524 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.636 18.861 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.204 17.844 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.895 16.230 -6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.221 16.363 -6.615 1.00 0.00 H new ATOM 235 N VAL A 16 2.267 15.213 1.078 1.00 0.00 N ATOM 236 CA VAL A 16 3.149 14.627 2.086 1.00 0.00 C ATOM 237 C VAL A 16 4.128 13.648 1.431 1.00 0.00 C ATOM 238 O VAL A 16 4.091 13.441 0.218 1.00 0.00 O ATOM 239 CB VAL A 16 2.363 13.895 3.203 1.00 0.00 C ATOM 240 CG1 VAL A 16 3.164 13.887 4.496 1.00 0.00 C ATOM 241 CG2 VAL A 16 0.993 14.526 3.441 1.00 0.00 C ATOM 0 H VAL A 16 1.403 14.695 0.917 1.00 0.00 H new ATOM 0 HA VAL A 16 3.695 15.451 2.545 1.00 0.00 H new ATOM 0 HB VAL A 16 2.204 12.869 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.599 13.369 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.112 13.373 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.356 14.913 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.475 13.983 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.119 15.567 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.406 14.479 2.524 1.00 0.00 H new ATOM 251 N ARG A 17 5.010 13.059 2.238 1.00 0.00 N ATOM 252 CA ARG A 17 6.002 12.108 1.736 1.00 0.00 C ATOM 253 C ARG A 17 6.070 10.880 2.641 1.00 0.00 C ATOM 254 O ARG A 17 6.898 10.816 3.549 1.00 0.00 O ATOM 255 CB ARG A 17 7.384 12.765 1.661 1.00 0.00 C ATOM 256 CG ARG A 17 7.464 13.914 0.670 1.00 0.00 C ATOM 257 CD ARG A 17 8.886 14.434 0.536 1.00 0.00 C ATOM 258 NE ARG A 17 9.758 13.474 -0.138 1.00 0.00 N ATOM 259 CZ ARG A 17 9.676 13.177 -1.434 1.00 0.00 C ATOM 260 NH1 ARG A 17 8.765 13.762 -2.202 1.00 0.00 N ATOM 261 NH2 ARG A 17 10.507 12.291 -1.966 1.00 0.00 N ATOM 0 H ARG A 17 5.058 13.224 3.243 1.00 0.00 H new ATOM 0 HA ARG A 17 5.699 11.798 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.656 13.132 2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.121 12.010 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.103 13.582 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.809 14.722 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.879 15.371 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.286 14.655 1.526 1.00 0.00 H new ATOM 0 HE ARG A 17 10.472 13.003 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.122 14.444 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.708 13.529 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.210 11.836 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.444 12.064 -2.958 1.00 0.00 H new ATOM 275 N ILE A 18 5.197 9.908 2.388 1.00 0.00 N ATOM 276 CA ILE A 18 5.161 8.689 3.189 1.00 0.00 C ATOM 277 C ILE A 18 5.480 7.459 2.336 1.00 0.00 C ATOM 278 O ILE A 18 4.785 7.170 1.366 1.00 0.00 O ATOM 279 CB ILE A 18 3.777 8.516 3.859 1.00 0.00 C ATOM 280 CG1 ILE A 18 3.522 9.646 4.862 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.661 7.167 4.553 1.00 0.00 C ATOM 282 CD1 ILE A 18 2.249 9.472 5.666 1.00 0.00 C ATOM 0 H ILE A 18 4.508 9.941 1.637 1.00 0.00 H new ATOM 0 HA ILE A 18 5.922 8.781 3.964 1.00 0.00 H new ATOM 0 HB ILE A 18 3.022 8.559 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.368 9.710 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.475 10.593 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.677 7.078 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.793 6.369 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.430 7.086 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.136 10.310 6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.394 9.439 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.300 8.542 6.232 1.00 0.00 H new ATOM 294 N ILE A 19 6.529 6.735 2.713 1.00 0.00 N ATOM 295 CA ILE A 19 6.923 5.531 1.995 1.00 0.00 C ATOM 296 C ILE A 19 6.121 4.343 2.512 1.00 0.00 C ATOM 297 O ILE A 19 6.547 3.643 3.432 1.00 0.00 O ATOM 298 CB ILE A 19 8.432 5.247 2.164 1.00 0.00 C ATOM 299 CG1 ILE A 19 9.260 6.404 1.604 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.818 3.941 1.480 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.346 7.593 2.535 1.00 0.00 C ATOM 0 H ILE A 19 7.121 6.962 3.512 1.00 0.00 H new ATOM 0 HA ILE A 19 6.720 5.685 0.935 1.00 0.00 H new ATOM 0 HB ILE A 19 8.642 5.151 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.267 6.048 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.826 6.725 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.885 3.762 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.255 3.119 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.591 4.006 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.948 8.375 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.344 7.975 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.808 7.287 3.474 1.00 0.00 H new ATOM 313 N ARG A 20 4.943 4.141 1.934 1.00 0.00 N ATOM 314 CA ARG A 20 4.059 3.058 2.358 1.00 0.00 C ATOM 315 C ARG A 20 4.274 1.786 1.554 1.00 0.00 C ATOM 316 O ARG A 20 5.113 1.739 0.654 1.00 0.00 O ATOM 317 CB ARG A 20 2.603 3.500 2.257 1.00 0.00 C ATOM 318 CG ARG A 20 2.280 4.691 3.137 1.00 0.00 C ATOM 319 CD ARG A 20 2.128 4.291 4.598 1.00 0.00 C ATOM 320 NE ARG A 20 3.400 4.312 5.322 1.00 0.00 N ATOM 321 CZ ARG A 20 3.599 4.961 6.469 1.00 0.00 C ATOM 322 NH1 ARG A 20 2.635 5.699 7.009 1.00 0.00 N ATOM 323 NH2 ARG A 20 4.775 4.879 7.076 1.00 0.00 N ATOM 0 H ARG A 20 4.577 4.711 1.172 1.00 0.00 H new ATOM 0 HA ARG A 20 4.303 2.830 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.377 3.750 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.957 2.667 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.070 5.436 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.359 5.159 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.426 4.967 5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.698 3.291 4.654 1.00 0.00 H new ATOM 0 HE ARG A 20 4.185 3.797 4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.730 5.774 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.800 6.191 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.523 4.321 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.931 5.374 7.954 1.00 0.00 H new ATOM 337 N TYR A 21 3.510 0.750 1.903 1.00 0.00 N ATOM 338 CA TYR A 21 3.611 -0.542 1.238 1.00 0.00 C ATOM 339 C TYR A 21 2.275 -0.964 0.633 1.00 0.00 C ATOM 340 O TYR A 21 1.220 -0.744 1.222 1.00 0.00 O ATOM 341 CB TYR A 21 4.054 -1.606 2.242 1.00 0.00 C ATOM 342 CG TYR A 21 5.547 -1.810 2.310 1.00 0.00 C ATOM 343 CD1 TYR A 21 6.346 -0.975 3.078 1.00 0.00 C ATOM 344 CD2 TYR A 21 6.155 -2.842 1.615 1.00 0.00 C ATOM 345 CE1 TYR A 21 7.710 -1.165 3.148 1.00 0.00 C ATOM 346 CE2 TYR A 21 7.519 -3.038 1.679 1.00 0.00 C ATOM 347 CZ TYR A 21 8.291 -2.197 2.447 1.00 0.00 C ATOM 348 OH TYR A 21 9.652 -2.390 2.516 1.00 0.00 O ATOM 0 H TYR A 21 2.812 0.785 2.646 1.00 0.00 H new ATOM 0 HA TYR A 21 4.343 -0.446 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.691 -1.329 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.581 -2.553 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.893 -0.164 3.629 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.551 -3.505 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.319 -0.507 3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.978 -3.847 1.130 1.00 0.00 H new ATOM 0 HH TYR A 21 9.901 -3.161 1.965 1.00 0.00 H new ATOM 358 N PHE A 22 2.337 -1.603 -0.528 1.00 0.00 N ATOM 359 CA PHE A 22 1.137 -2.097 -1.195 1.00 0.00 C ATOM 360 C PHE A 22 1.426 -3.427 -1.864 1.00 0.00 C ATOM 361 O PHE A 22 2.570 -3.869 -1.909 1.00 0.00 O ATOM 362 CB PHE A 22 0.609 -1.101 -2.224 1.00 0.00 C ATOM 363 CG PHE A 22 1.375 -1.098 -3.519 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.643 -0.541 -3.592 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.826 -1.663 -4.661 1.00 0.00 C ATOM 366 CE1 PHE A 22 3.350 -0.548 -4.780 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.528 -1.671 -5.853 1.00 0.00 C ATOM 368 CZ PHE A 22 2.791 -1.114 -5.912 1.00 0.00 C ATOM 0 H PHE A 22 3.205 -1.792 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 22 0.367 -2.229 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.436 -1.329 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.638 -0.100 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.083 -0.097 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.160 -2.101 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.337 -0.112 -4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.090 -2.112 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.342 -1.120 -6.841 1.00 0.00 H new ATOM 378 N TYR A 23 0.386 -4.054 -2.387 1.00 0.00 N ATOM 379 CA TYR A 23 0.529 -5.347 -3.057 1.00 0.00 C ATOM 380 C TYR A 23 0.492 -5.201 -4.578 1.00 0.00 C ATOM 381 O TYR A 23 -0.580 -5.116 -5.176 1.00 0.00 O ATOM 382 CB TYR A 23 -0.576 -6.304 -2.602 1.00 0.00 C ATOM 383 CG TYR A 23 -0.501 -7.656 -3.270 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.401 -8.618 -2.832 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.322 -7.965 -4.347 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.479 -9.852 -3.449 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.249 -9.197 -4.968 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.347 -10.137 -4.514 1.00 0.00 C ATOM 389 OH TYR A 23 -0.271 -11.365 -5.130 1.00 0.00 O ATOM 0 H TYR A 23 -0.568 -3.694 -2.364 1.00 0.00 H new ATOM 0 HA TYR A 23 1.501 -5.755 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.513 -6.435 -1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.547 -5.855 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.050 -8.398 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.029 -7.231 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.185 -10.590 -3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.894 -9.423 -5.804 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.922 -11.405 -5.862 1.00 0.00 H new ATOM 399 N ASN A 24 1.669 -5.198 -5.201 1.00 0.00 N ATOM 400 CA ASN A 24 1.765 -5.085 -6.648 1.00 0.00 C ATOM 401 C ASN A 24 1.259 -6.361 -7.317 1.00 0.00 C ATOM 402 O ASN A 24 1.740 -7.456 -7.023 1.00 0.00 O ATOM 403 CB ASN A 24 3.214 -4.813 -7.047 1.00 0.00 C ATOM 404 CG ASN A 24 3.361 -4.475 -8.518 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.576 -5.356 -9.348 1.00 0.00 O ATOM 406 ND2 ASN A 24 3.244 -3.195 -8.850 1.00 0.00 N ATOM 0 H ASN A 24 2.567 -5.273 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 24 1.142 -4.255 -6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.603 -3.989 -6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.821 -5.689 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.333 -2.911 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.065 -2.495 -8.129 1.00 0.00 H new ATOM 413 N ALA A 25 0.283 -6.217 -8.210 1.00 0.00 N ATOM 414 CA ALA A 25 -0.291 -7.365 -8.908 1.00 0.00 C ATOM 415 C ALA A 25 0.500 -7.722 -10.165 1.00 0.00 C ATOM 416 O ALA A 25 0.028 -8.486 -11.008 1.00 0.00 O ATOM 417 CB ALA A 25 -1.745 -7.093 -9.261 1.00 0.00 C ATOM 0 H ALA A 25 -0.126 -5.319 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.238 -8.219 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.161 -7.956 -9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.313 -6.910 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.805 -6.217 -9.907 1.00 0.00 H new ATOM 423 N LYS A 26 1.711 -7.186 -10.275 1.00 0.00 N ATOM 424 CA LYS A 26 2.578 -7.465 -11.415 1.00 0.00 C ATOM 425 C LYS A 26 3.788 -8.257 -10.944 1.00 0.00 C ATOM 426 O LYS A 26 4.276 -9.150 -11.636 1.00 0.00 O ATOM 427 CB LYS A 26 3.020 -6.163 -12.088 1.00 0.00 C ATOM 428 CG LYS A 26 2.264 -5.857 -13.371 1.00 0.00 C ATOM 429 CD LYS A 26 2.859 -4.662 -14.098 1.00 0.00 C ATOM 430 CE LYS A 26 3.872 -5.096 -15.145 1.00 0.00 C ATOM 431 NZ LYS A 26 4.932 -4.071 -15.351 1.00 0.00 N ATOM 0 H LYS A 26 2.116 -6.553 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 26 2.026 -8.052 -12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.883 -5.338 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.086 -6.221 -12.309 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.286 -6.729 -14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.218 -5.659 -13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.062 -4.091 -14.575 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.339 -3.999 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.331 -6.036 -14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.360 -5.284 -16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.603 -4.405 -16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.497 -3.181 -15.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.438 -3.910 -14.457 1.00 0.00 H new ATOM 445 N ALA A 27 4.245 -7.931 -9.741 1.00 0.00 N ATOM 446 CA ALA A 27 5.376 -8.609 -9.130 1.00 0.00 C ATOM 447 C ALA A 27 4.894 -9.576 -8.053 1.00 0.00 C ATOM 448 O ALA A 27 5.660 -10.408 -7.564 1.00 0.00 O ATOM 449 CB ALA A 27 6.346 -7.592 -8.542 1.00 0.00 C ATOM 0 H ALA A 27 3.842 -7.192 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 27 5.899 -9.180 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.188 -8.113 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.709 -6.936 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.835 -6.998 -7.784 1.00 0.00 H new ATOM 455 N GLY A 28 3.609 -9.469 -7.689 1.00 0.00 N ATOM 456 CA GLY A 28 3.044 -10.338 -6.696 1.00 0.00 C ATOM 457 C GLY A 28 3.573 -10.097 -5.300 1.00 0.00 C ATOM 458 O GLY A 28 3.205 -10.795 -4.354 1.00 0.00 O ATOM 0 H GLY A 28 2.958 -8.786 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.961 -10.212 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.243 -11.372 -6.976 1.00 0.00 H new ATOM 462 N LEU A 29 4.442 -9.117 -5.180 1.00 0.00 N ATOM 463 CA LEU A 29 5.044 -8.772 -3.899 1.00 0.00 C ATOM 464 C LEU A 29 4.628 -7.374 -3.455 1.00 0.00 C ATOM 465 O LEU A 29 4.117 -6.583 -4.250 1.00 0.00 O ATOM 466 CB LEU A 29 6.569 -8.854 -3.991 1.00 0.00 C ATOM 467 CG LEU A 29 7.127 -10.228 -4.363 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.482 -10.087 -5.038 1.00 0.00 C ATOM 469 CD2 LEU A 29 7.233 -11.111 -3.130 1.00 0.00 C ATOM 0 H LEU A 29 4.753 -8.537 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 29 4.689 -9.488 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.912 -8.129 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.991 -8.556 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 29 6.441 -10.701 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.865 -11.075 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.377 -9.491 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.178 -9.595 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.632 -12.085 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.898 -10.644 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.245 -11.238 -2.688 1.00 0.00 H new ATOM 481 N CYS A 30 4.851 -7.074 -2.181 1.00 0.00 N ATOM 482 CA CYS A 30 4.501 -5.783 -1.634 1.00 0.00 C ATOM 483 C CYS A 30 5.636 -4.783 -1.848 1.00 0.00 C ATOM 484 O CYS A 30 6.762 -5.006 -1.404 1.00 0.00 O ATOM 485 CB CYS A 30 4.189 -5.930 -0.145 1.00 0.00 C ATOM 486 SG CYS A 30 2.502 -6.523 0.212 1.00 0.00 S ATOM 0 H CYS A 30 5.275 -7.715 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 30 3.618 -5.404 -2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.906 -6.621 0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.333 -4.965 0.342 1.00 0.00 H new ATOM 491 N GLN A 31 5.336 -3.684 -2.537 1.00 0.00 N ATOM 492 CA GLN A 31 6.342 -2.662 -2.810 1.00 0.00 C ATOM 493 C GLN A 31 6.043 -1.367 -2.064 1.00 0.00 C ATOM 494 O GLN A 31 4.998 -1.227 -1.430 1.00 0.00 O ATOM 495 CB GLN A 31 6.436 -2.382 -4.312 1.00 0.00 C ATOM 496 CG GLN A 31 6.949 -3.561 -5.125 1.00 0.00 C ATOM 497 CD GLN A 31 6.288 -3.667 -6.485 1.00 0.00 C ATOM 498 OE1 GLN A 31 5.520 -2.792 -6.886 1.00 0.00 O ATOM 499 NE2 GLN A 31 6.584 -4.743 -7.205 1.00 0.00 N ATOM 0 H GLN A 31 4.411 -3.480 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 31 7.298 -3.048 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.450 -2.099 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.094 -1.528 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.027 -3.465 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.777 -4.483 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.226 -5.444 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.170 -4.868 -8.129 1.00 0.00 H new ATOM 508 N THR A 32 6.974 -0.423 -2.155 1.00 0.00 N ATOM 509 CA THR A 32 6.837 0.873 -1.492 1.00 0.00 C ATOM 510 C THR A 32 6.406 1.966 -2.465 1.00 0.00 C ATOM 511 O THR A 32 6.635 1.866 -3.670 1.00 0.00 O ATOM 512 CB THR A 32 8.168 1.282 -0.855 1.00 0.00 C ATOM 513 OG1 THR A 32 9.225 1.160 -1.789 1.00 0.00 O ATOM 514 CG2 THR A 32 8.541 0.469 0.362 1.00 0.00 C ATOM 0 H THR A 32 7.839 -0.531 -2.685 1.00 0.00 H new ATOM 0 HA THR A 32 6.067 0.763 -0.728 1.00 0.00 H new ATOM 0 HB THR A 32 8.024 2.316 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.068 1.427 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.495 0.819 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.771 0.582 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.626 -0.582 0.085 1.00 0.00 H new ATOM 522 N PHE A 33 5.808 3.029 -1.925 1.00 0.00 N ATOM 523 CA PHE A 33 5.381 4.164 -2.746 1.00 0.00 C ATOM 524 C PHE A 33 5.336 5.454 -1.930 1.00 0.00 C ATOM 525 O PHE A 33 5.336 5.430 -0.698 1.00 0.00 O ATOM 526 CB PHE A 33 4.028 3.901 -3.410 1.00 0.00 C ATOM 527 CG PHE A 33 2.914 3.603 -2.451 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.980 2.508 -1.605 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.795 4.417 -2.402 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.948 2.230 -0.730 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.762 4.146 -1.526 1.00 0.00 C ATOM 532 CZ PHE A 33 0.838 3.050 -0.690 1.00 0.00 C ATOM 0 H PHE A 33 5.609 3.128 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 33 6.123 4.286 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.754 4.771 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.132 3.063 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.847 1.865 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.729 5.274 -3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.009 1.372 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.104 4.791 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.031 2.834 -0.006 1.00 0.00 H new ATOM 542 N VAL A 34 5.322 6.579 -2.642 1.00 0.00 N ATOM 543 CA VAL A 34 5.311 7.900 -2.024 1.00 0.00 C ATOM 544 C VAL A 34 3.893 8.388 -1.741 1.00 0.00 C ATOM 545 O VAL A 34 3.378 9.271 -2.425 1.00 0.00 O ATOM 546 CB VAL A 34 6.032 8.928 -2.917 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.153 10.269 -2.210 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.404 8.408 -3.323 1.00 0.00 C ATOM 0 H VAL A 34 5.318 6.599 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 34 5.838 7.806 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 34 5.437 9.075 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.665 10.978 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.158 10.647 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.722 10.145 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.901 9.145 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.004 8.230 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.291 7.475 -3.876 1.00 0.00 H new ATOM 558 N TYR A 35 3.287 7.818 -0.712 1.00 0.00 N ATOM 559 CA TYR A 35 1.928 8.181 -0.297 1.00 0.00 C ATOM 560 C TYR A 35 1.919 9.575 0.344 1.00 0.00 C ATOM 561 O TYR A 35 2.903 9.980 0.962 1.00 0.00 O ATOM 562 CB TYR A 35 1.405 7.115 0.673 1.00 0.00 C ATOM 563 CG TYR A 35 0.217 7.526 1.505 1.00 0.00 C ATOM 564 CD1 TYR A 35 -0.878 8.127 0.932 1.00 0.00 C ATOM 565 CD2 TYR A 35 0.199 7.293 2.862 1.00 0.00 C ATOM 566 CE1 TYR A 35 -1.973 8.485 1.692 1.00 0.00 C ATOM 567 CE2 TYR A 35 -0.886 7.648 3.632 1.00 0.00 C ATOM 568 CZ TYR A 35 -1.971 8.240 3.040 1.00 0.00 C ATOM 569 OH TYR A 35 -3.064 8.592 3.801 1.00 0.00 O ATOM 0 H TYR A 35 3.716 7.092 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 35 1.271 8.220 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.137 6.227 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.215 6.829 1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.882 8.322 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.051 6.823 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.827 8.956 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.882 7.461 4.696 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.826 8.776 3.213 1.00 0.00 H new ATOM 579 N GLY A 36 0.825 10.325 0.173 1.00 0.00 N ATOM 580 CA GLY A 36 0.774 11.672 0.720 1.00 0.00 C ATOM 581 C GLY A 36 -0.227 11.884 1.849 1.00 0.00 C ATOM 582 O GLY A 36 -0.684 13.001 2.056 1.00 0.00 O ATOM 0 H GLY A 36 -0.013 10.027 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.767 11.935 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.537 12.365 -0.088 1.00 0.00 H new ATOM 586 N GLY A 37 -0.550 10.845 2.602 1.00 0.00 N ATOM 587 CA GLY A 37 -1.467 11.005 3.715 1.00 0.00 C ATOM 588 C GLY A 37 -2.851 11.484 3.333 1.00 0.00 C ATOM 589 O GLY A 37 -3.584 12.007 4.172 1.00 0.00 O ATOM 0 H GLY A 37 -0.197 9.898 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.558 10.050 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.036 11.712 4.424 1.00 0.00 H new ATOM 593 N CYS A 38 -3.216 11.303 2.078 1.00 0.00 N ATOM 594 CA CYS A 38 -4.536 11.720 1.606 1.00 0.00 C ATOM 595 C CYS A 38 -5.406 10.523 1.229 1.00 0.00 C ATOM 596 O CYS A 38 -5.042 9.719 0.371 1.00 0.00 O ATOM 597 CB CYS A 38 -4.413 12.665 0.410 1.00 0.00 C ATOM 598 SG CYS A 38 -4.955 14.368 0.764 1.00 0.00 S ATOM 0 H CYS A 38 -2.626 10.873 1.366 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.018 12.246 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.375 12.685 0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.003 12.270 -0.417 1.00 0.00 H new ATOM 603 N ARG A 39 -6.566 10.424 1.876 1.00 0.00 N ATOM 604 CA ARG A 39 -7.516 9.341 1.622 1.00 0.00 C ATOM 605 C ARG A 39 -6.817 7.982 1.532 1.00 0.00 C ATOM 606 O ARG A 39 -7.001 7.240 0.566 1.00 0.00 O ATOM 607 CB ARG A 39 -8.307 9.617 0.337 1.00 0.00 C ATOM 608 CG ARG A 39 -9.813 9.502 0.513 1.00 0.00 C ATOM 609 CD ARG A 39 -10.212 8.098 0.934 1.00 0.00 C ATOM 610 NE ARG A 39 -10.170 7.932 2.385 1.00 0.00 N ATOM 611 CZ ARG A 39 -11.174 8.249 3.198 1.00 0.00 C ATOM 612 NH1 ARG A 39 -12.299 8.757 2.712 1.00 0.00 N ATOM 613 NH2 ARG A 39 -11.050 8.062 4.505 1.00 0.00 N ATOM 0 H ARG A 39 -6.873 11.088 2.587 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.205 9.303 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.067 10.619 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.985 8.918 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.150 10.219 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.312 9.760 -0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.218 7.883 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.544 7.375 0.466 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.320 7.550 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.399 8.907 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.064 8.997 3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.186 7.676 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.819 8.304 5.130 1.00 0.00 H new ATOM 627 N ALA A 40 -6.021 7.657 2.552 1.00 0.00 N ATOM 628 CA ALA A 40 -5.306 6.380 2.591 1.00 0.00 C ATOM 629 C ALA A 40 -6.236 5.224 2.218 1.00 0.00 C ATOM 630 O ALA A 40 -7.299 5.056 2.819 1.00 0.00 O ATOM 631 CB ALA A 40 -4.706 6.149 3.972 1.00 0.00 C ATOM 0 H ALA A 40 -5.855 8.258 3.359 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.499 6.420 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.178 5.196 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.008 6.953 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.502 6.133 4.716 1.00 0.00 H new ATOM 637 N LYS A 41 -5.841 4.438 1.219 1.00 0.00 N ATOM 638 CA LYS A 41 -6.655 3.311 0.773 1.00 0.00 C ATOM 639 C LYS A 41 -6.247 2.018 1.472 1.00 0.00 C ATOM 640 O LYS A 41 -5.220 1.962 2.149 1.00 0.00 O ATOM 641 CB LYS A 41 -6.558 3.139 -0.742 1.00 0.00 C ATOM 642 CG LYS A 41 -7.362 4.164 -1.522 1.00 0.00 C ATOM 643 CD LYS A 41 -8.731 3.626 -1.906 1.00 0.00 C ATOM 644 CE LYS A 41 -9.686 4.746 -2.283 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.282 5.422 -3.545 1.00 0.00 N ATOM 0 H LYS A 41 -4.968 4.560 0.706 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.689 3.530 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.512 3.206 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.902 2.140 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.480 5.067 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.816 4.447 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.630 2.936 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.146 3.058 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.692 4.342 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.723 5.478 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.960 6.179 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.332 5.830 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.271 4.730 -4.321 1.00 0.00 H new ATOM 659 N ARG A 42 -7.066 0.982 1.309 1.00 0.00 N ATOM 660 CA ARG A 42 -6.809 -0.314 1.935 1.00 0.00 C ATOM 661 C ARG A 42 -5.456 -0.891 1.529 1.00 0.00 C ATOM 662 O ARG A 42 -4.768 -1.496 2.352 1.00 0.00 O ATOM 663 CB ARG A 42 -7.920 -1.311 1.589 1.00 0.00 C ATOM 664 CG ARG A 42 -9.195 -1.089 2.385 1.00 0.00 C ATOM 665 CD ARG A 42 -10.258 -2.122 2.045 1.00 0.00 C ATOM 666 NE ARG A 42 -11.374 -1.534 1.308 1.00 0.00 N ATOM 667 CZ ARG A 42 -12.587 -2.078 1.240 1.00 0.00 C ATOM 668 NH1 ARG A 42 -12.844 -3.227 1.853 1.00 0.00 N ATOM 669 NH2 ARG A 42 -13.546 -1.473 0.552 1.00 0.00 N ATOM 0 H ARG A 42 -7.916 1.014 0.747 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.792 -0.147 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.146 -1.238 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.559 -2.324 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.971 -1.135 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.581 -0.090 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.812 -2.920 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.629 -2.577 2.963 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.214 -0.655 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.110 -3.699 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.776 -3.638 1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.354 -0.592 0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.476 -1.889 0.499 1.00 0.00 H new ATOM 683 N ASN A 43 -5.080 -0.731 0.263 1.00 0.00 N ATOM 684 CA ASN A 43 -3.805 -1.262 -0.206 1.00 0.00 C ATOM 685 C ASN A 43 -2.684 -0.263 0.022 1.00 0.00 C ATOM 686 O ASN A 43 -1.936 0.090 -0.889 1.00 0.00 O ATOM 687 CB ASN A 43 -3.886 -1.655 -1.682 1.00 0.00 C ATOM 688 CG ASN A 43 -2.948 -2.790 -2.031 1.00 0.00 C ATOM 689 OD1 ASN A 43 -2.166 -2.699 -2.976 1.00 0.00 O ATOM 690 ND2 ASN A 43 -3.028 -3.867 -1.270 1.00 0.00 N ATOM 0 H ASN A 43 -5.630 -0.246 -0.446 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.583 -2.159 0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.909 -1.946 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.648 -0.789 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.425 -4.669 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.692 -3.897 -0.497 1.00 0.00 H new ATOM 697 N ASN A 44 -2.580 0.174 1.263 1.00 0.00 N ATOM 698 CA ASN A 44 -1.568 1.125 1.674 1.00 0.00 C ATOM 699 C ASN A 44 -1.219 0.887 3.141 1.00 0.00 C ATOM 700 O ASN A 44 -1.810 1.491 4.037 1.00 0.00 O ATOM 701 CB ASN A 44 -2.087 2.549 1.461 1.00 0.00 C ATOM 702 CG ASN A 44 -1.273 3.577 2.207 1.00 0.00 C ATOM 703 OD1 ASN A 44 -0.118 3.835 1.872 1.00 0.00 O ATOM 704 ND2 ASN A 44 -1.874 4.163 3.229 1.00 0.00 N ATOM 0 H ASN A 44 -3.199 -0.123 2.017 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.667 0.994 1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.073 2.782 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.126 2.606 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.377 4.864 3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.834 3.914 3.467 1.00 0.00 H new ATOM 711 N PHE A 45 -0.268 -0.013 3.379 1.00 0.00 N ATOM 712 CA PHE A 45 0.144 -0.356 4.736 1.00 0.00 C ATOM 713 C PHE A 45 1.283 0.526 5.212 1.00 0.00 C ATOM 714 O PHE A 45 1.875 1.265 4.431 1.00 0.00 O ATOM 715 CB PHE A 45 0.558 -1.827 4.797 1.00 0.00 C ATOM 716 CG PHE A 45 -0.444 -2.732 4.140 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.558 -3.177 4.833 1.00 0.00 C ATOM 718 CD2 PHE A 45 -0.284 -3.112 2.818 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.493 -3.989 4.218 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.217 -3.919 2.197 1.00 0.00 C ATOM 721 CZ PHE A 45 -2.323 -4.358 2.897 1.00 0.00 C ATOM 0 H PHE A 45 0.232 -0.518 2.648 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.705 -0.189 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.527 -1.949 4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.683 -2.123 5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.698 -2.887 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.580 -2.773 2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.355 -4.334 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.082 -4.206 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.054 -4.989 2.413 1.00 0.00 H new ATOM 731 N LYS A 46 1.586 0.441 6.501 1.00 0.00 N ATOM 732 CA LYS A 46 2.658 1.231 7.085 1.00 0.00 C ATOM 733 C LYS A 46 4.015 0.591 6.809 1.00 0.00 C ATOM 734 O LYS A 46 5.041 1.271 6.802 1.00 0.00 O ATOM 735 CB LYS A 46 2.443 1.386 8.593 1.00 0.00 C ATOM 736 CG LYS A 46 2.613 2.813 9.088 1.00 0.00 C ATOM 737 CD LYS A 46 2.890 2.859 10.582 1.00 0.00 C ATOM 738 CE LYS A 46 4.108 3.713 10.895 1.00 0.00 C ATOM 739 NZ LYS A 46 5.338 2.888 11.047 1.00 0.00 N ATOM 0 H LYS A 46 1.103 -0.168 7.161 1.00 0.00 H new ATOM 0 HA LYS A 46 2.644 2.219 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.441 1.039 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.146 0.741 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.433 3.290 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.712 3.385 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.020 3.259 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.048 1.847 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.255 4.442 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.932 4.275 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.147 3.506 11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.207 2.209 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.521 2.371 10.163 1.00 0.00 H new ATOM 753 N SER A 47 4.015 -0.720 6.583 1.00 0.00 N ATOM 754 CA SER A 47 5.252 -1.441 6.313 1.00 0.00 C ATOM 755 C SER A 47 4.984 -2.774 5.627 1.00 0.00 C ATOM 756 O SER A 47 3.853 -3.264 5.607 1.00 0.00 O ATOM 757 CB SER A 47 6.008 -1.689 7.617 1.00 0.00 C ATOM 758 OG SER A 47 5.138 -1.623 8.732 1.00 0.00 O ATOM 0 H SER A 47 3.176 -1.301 6.582 1.00 0.00 H new ATOM 0 HA SER A 47 5.854 -0.825 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.487 -2.668 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.802 -0.950 7.727 1.00 0.00 H new ATOM 0 HG SER A 47 5.585 -2.001 9.518 1.00 0.00 H new ATOM 764 N ALA A 48 6.043 -3.366 5.083 1.00 0.00 N ATOM 765 CA ALA A 48 5.934 -4.653 4.413 1.00 0.00 C ATOM 766 C ALA A 48 5.336 -5.694 5.352 1.00 0.00 C ATOM 767 O ALA A 48 4.734 -6.671 4.908 1.00 0.00 O ATOM 768 CB ALA A 48 7.298 -5.110 3.914 1.00 0.00 C ATOM 0 H ALA A 48 6.984 -2.974 5.094 1.00 0.00 H new ATOM 0 HA ALA A 48 5.271 -4.540 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.199 -6.074 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.693 -4.377 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.981 -5.207 4.758 1.00 0.00 H new ATOM 774 N GLU A 49 5.504 -5.477 6.656 1.00 0.00 N ATOM 775 CA GLU A 49 4.978 -6.401 7.653 1.00 0.00 C ATOM 776 C GLU A 49 3.457 -6.393 7.652 1.00 0.00 C ATOM 777 O GLU A 49 2.824 -7.442 7.543 1.00 0.00 O ATOM 778 CB GLU A 49 5.509 -6.054 9.045 1.00 0.00 C ATOM 779 CG GLU A 49 5.224 -4.623 9.478 1.00 0.00 C ATOM 780 CD GLU A 49 5.962 -4.238 10.746 1.00 0.00 C ATOM 781 OE1 GLU A 49 6.539 -5.136 11.395 1.00 0.00 O ATOM 782 OE2 GLU A 49 5.962 -3.038 11.092 1.00 0.00 O ATOM 0 H GLU A 49 5.998 -4.673 7.043 1.00 0.00 H new ATOM 0 HA GLU A 49 5.316 -7.404 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.068 -6.737 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.586 -6.221 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.508 -3.942 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.152 -4.502 9.635 1.00 0.00 H new ATOM 789 N ASP A 50 2.868 -5.208 7.757 1.00 0.00 N ATOM 790 CA ASP A 50 1.417 -5.087 7.746 1.00 0.00 C ATOM 791 C ASP A 50 0.879 -5.610 6.421 1.00 0.00 C ATOM 792 O ASP A 50 -0.182 -6.232 6.363 1.00 0.00 O ATOM 793 CB ASP A 50 0.995 -3.631 7.954 1.00 0.00 C ATOM 794 CG ASP A 50 0.455 -3.380 9.349 1.00 0.00 C ATOM 795 OD1 ASP A 50 -0.314 -4.228 9.850 1.00 0.00 O ATOM 796 OD2 ASP A 50 0.802 -2.335 9.941 1.00 0.00 O ATOM 0 H ASP A 50 3.369 -4.324 7.850 1.00 0.00 H new ATOM 0 HA ASP A 50 1.004 -5.678 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.850 -2.979 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.234 -3.368 7.220 1.00 0.00 H new ATOM 801 N CYS A 51 1.642 -5.367 5.358 1.00 0.00 N ATOM 802 CA CYS A 51 1.276 -5.823 4.026 1.00 0.00 C ATOM 803 C CYS A 51 1.208 -7.339 4.002 1.00 0.00 C ATOM 804 O CYS A 51 0.156 -7.928 3.753 1.00 0.00 O ATOM 805 CB CYS A 51 2.321 -5.350 3.018 1.00 0.00 C ATOM 806 SG CYS A 51 1.679 -5.045 1.337 1.00 0.00 S ATOM 0 H CYS A 51 2.522 -4.853 5.398 1.00 0.00 H new ATOM 0 HA CYS A 51 0.301 -5.412 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.775 -4.432 3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.113 -6.097 2.959 1.00 0.00 H new ATOM 811 N LEU A 52 2.346 -7.968 4.280 1.00 0.00 N ATOM 812 CA LEU A 52 2.423 -9.423 4.299 1.00 0.00 C ATOM 813 C LEU A 52 1.412 -9.994 5.282 1.00 0.00 C ATOM 814 O LEU A 52 0.864 -11.075 5.073 1.00 0.00 O ATOM 815 CB LEU A 52 3.834 -9.887 4.667 1.00 0.00 C ATOM 816 CG LEU A 52 4.920 -9.528 3.652 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.299 -9.767 4.244 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.738 -10.332 2.374 1.00 0.00 C ATOM 0 H LEU A 52 3.224 -7.494 4.494 1.00 0.00 H new ATOM 0 HA LEU A 52 2.189 -9.789 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.102 -9.455 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.822 -10.969 4.795 1.00 0.00 H new ATOM 0 HG LEU A 52 4.831 -8.470 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.061 -9.507 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.426 -9.148 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.401 -10.818 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.519 -10.065 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.803 -11.396 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.762 -10.112 1.942 1.00 0.00 H new ATOM 830 N ARG A 53 1.151 -9.251 6.347 1.00 0.00 N ATOM 831 CA ARG A 53 0.183 -9.681 7.342 1.00 0.00 C ATOM 832 C ARG A 53 -1.222 -9.608 6.757 1.00 0.00 C ATOM 833 O ARG A 53 -2.112 -10.359 7.156 1.00 0.00 O ATOM 834 CB ARG A 53 0.278 -8.811 8.597 1.00 0.00 C ATOM 835 CG ARG A 53 1.396 -9.229 9.540 1.00 0.00 C ATOM 836 CD ARG A 53 0.862 -9.696 10.887 1.00 0.00 C ATOM 837 NE ARG A 53 1.052 -11.133 11.077 1.00 0.00 N ATOM 838 CZ ARG A 53 1.239 -11.710 12.263 1.00 0.00 C ATOM 839 NH1 ARG A 53 1.250 -10.983 13.373 1.00 0.00 N ATOM 840 NH2 ARG A 53 1.411 -13.022 12.339 1.00 0.00 N ATOM 0 H ARG A 53 1.593 -8.353 6.543 1.00 0.00 H new ATOM 0 HA ARG A 53 0.402 -10.711 7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.432 -7.774 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.671 -8.852 9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.976 -10.031 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.076 -8.390 9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.367 -9.154 11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.199 -9.457 10.960 1.00 0.00 H new ATOM 0 HE ARG A 53 1.041 -11.731 10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.115 -9.973 13.323 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.394 -11.434 14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.400 -13.588 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.554 -13.466 13.246 1.00 0.00 H new ATOM 854 N THR A 54 -1.416 -8.696 5.803 1.00 0.00 N ATOM 855 CA THR A 54 -2.714 -8.524 5.167 1.00 0.00 C ATOM 856 C THR A 54 -2.908 -9.486 3.991 1.00 0.00 C ATOM 857 O THR A 54 -3.851 -10.276 3.982 1.00 0.00 O ATOM 858 CB THR A 54 -2.875 -7.080 4.701 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.679 -6.186 5.782 1.00 0.00 O ATOM 860 CG2 THR A 54 -4.236 -6.798 4.113 1.00 0.00 C ATOM 0 H THR A 54 -0.690 -8.069 5.457 1.00 0.00 H new ATOM 0 HA THR A 54 -3.480 -8.757 5.906 1.00 0.00 H new ATOM 0 HB THR A 54 -2.123 -6.933 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.156 -5.415 5.478 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.288 -5.755 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.401 -7.444 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.003 -6.991 4.863 1.00 0.00 H new ATOM 868 N CYS A 55 -2.029 -9.412 2.989 1.00 0.00 N ATOM 869 CA CYS A 55 -2.140 -10.268 1.820 1.00 0.00 C ATOM 870 C CYS A 55 -0.846 -11.039 1.567 1.00 0.00 C ATOM 871 O CYS A 55 -0.483 -11.305 0.422 1.00 0.00 O ATOM 872 CB CYS A 55 -2.487 -9.409 0.610 1.00 0.00 C ATOM 873 SG CYS A 55 -2.859 -10.351 -0.903 1.00 0.00 S ATOM 0 H CYS A 55 -1.238 -8.769 2.969 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.927 -11.001 1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.348 -8.787 0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.654 -8.735 0.408 1.00 0.00 H new