USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= -0.25 USER MOD Single : A 11 THR OG1 : rot -23:sc= 0.413 USER MOD Single : A 15 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.125) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -25:sc= 0.288 USER MOD Single : A 24 ASN : amide:sc= -5.72! C(o=-5.7!,f=-25!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.458 K(o=-0.46,f=-3.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 35 TYR OH : rot 177:sc= -4.95! USER MOD Single : A 41 LYS NZ :NH3+ -135:sc= -0.249 (180deg=-1.07) USER MOD Single : A 43 ASN : amide:sc= -2.86! C(o=-2.9!,f=-8.4!) USER MOD Single : A 44 ASN : amide:sc= -5.63! C(o=-5.6!,f=-16!) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0352 (180deg=-0.0945) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 172:sc= 0 (180deg=-0.0274) USER MOD Single : A 54 THR OG1 : rot 94:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 53 N PHE A 4 6.677 -7.939 2.654 1.00 0.00 N ATOM 54 CA PHE A 4 5.346 -7.521 2.121 1.00 0.00 C ATOM 55 C PHE A 4 5.478 -6.255 1.277 1.00 0.00 C ATOM 56 O PHE A 4 4.620 -5.946 0.475 1.00 0.00 O ATOM 57 CB PHE A 4 4.435 -7.299 3.332 1.00 0.00 C ATOM 58 CG PHE A 4 4.911 -6.147 4.196 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.804 -4.816 3.754 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.448 -6.416 5.458 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.240 -3.773 4.574 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.883 -5.367 6.276 1.00 0.00 C ATOM 63 CZ PHE A 4 5.780 -4.046 5.832 1.00 0.00 C ATOM 0 HA PHE A 4 4.925 -8.284 1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.419 -7.100 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.398 -8.210 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.385 -4.601 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.528 -7.436 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.159 -2.751 4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.298 -5.578 7.250 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.118 -3.237 6.462 1.00 0.00 H new ATOM 73 N CYS A 5 6.544 -5.524 1.436 1.00 0.00 N ATOM 74 CA CYS A 5 6.716 -4.288 0.623 1.00 0.00 C ATOM 75 C CYS A 5 7.052 -4.665 -0.823 1.00 0.00 C ATOM 76 O CYS A 5 6.717 -3.959 -1.755 1.00 0.00 O ATOM 77 CB CYS A 5 7.876 -3.537 1.275 1.00 0.00 C ATOM 78 SG CYS A 5 7.231 -2.075 2.126 1.00 0.00 S ATOM 0 H CYS A 5 7.300 -5.726 2.090 1.00 0.00 H new ATOM 0 HA CYS A 5 5.814 -3.677 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.394 -4.185 1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.605 -3.242 0.520 1.00 0.00 H new ATOM 83 N LEU A 6 7.699 -5.784 -1.018 1.00 0.00 N ATOM 84 CA LEU A 6 8.045 -6.216 -2.404 1.00 0.00 C ATOM 85 C LEU A 6 6.813 -6.818 -3.080 1.00 0.00 C ATOM 86 O LEU A 6 6.733 -6.903 -4.290 1.00 0.00 O ATOM 87 CB LEU A 6 9.132 -7.279 -2.240 1.00 0.00 C ATOM 88 CG LEU A 6 10.235 -6.755 -1.318 1.00 0.00 C ATOM 89 CD1 LEU A 6 11.261 -7.863 -1.070 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.926 -5.559 -1.978 1.00 0.00 C ATOM 0 H LEU A 6 8.003 -6.417 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 6 8.385 -5.385 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.702 -8.191 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.551 -7.537 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 6 9.798 -6.444 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 6 12.047 -7.491 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.770 -8.715 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.698 -8.173 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.712 -5.185 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.363 -5.869 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.196 -4.770 -2.156 1.00 0.00 H new ATOM 102 N GLU A 7 5.852 -7.237 -2.304 1.00 0.00 N ATOM 103 CA GLU A 7 4.621 -7.839 -2.896 1.00 0.00 C ATOM 104 C GLU A 7 3.659 -6.737 -3.353 1.00 0.00 C ATOM 105 O GLU A 7 3.811 -5.589 -2.986 1.00 0.00 O ATOM 106 CB GLU A 7 4.002 -8.661 -1.764 1.00 0.00 C ATOM 107 CG GLU A 7 4.799 -9.953 -1.581 1.00 0.00 C ATOM 108 CD GLU A 7 4.571 -10.497 -0.169 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.553 -10.164 0.415 1.00 0.00 O ATOM 110 OE2 GLU A 7 5.417 -11.239 0.303 1.00 0.00 O ATOM 0 H GLU A 7 5.865 -7.189 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 7 4.838 -8.450 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.004 -8.085 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.962 -8.892 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.490 -10.691 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.860 -9.764 -1.743 1.00 0.00 H new ATOM 117 N PRO A 8 2.697 -7.128 -4.146 1.00 0.00 N ATOM 118 CA PRO A 8 1.695 -6.164 -4.667 1.00 0.00 C ATOM 119 C PRO A 8 0.725 -5.744 -3.558 1.00 0.00 C ATOM 120 O PRO A 8 0.622 -6.398 -2.540 1.00 0.00 O ATOM 121 CB PRO A 8 0.965 -6.958 -5.747 1.00 0.00 C ATOM 122 CG PRO A 8 1.140 -8.392 -5.357 1.00 0.00 C ATOM 123 CD PRO A 8 2.455 -8.492 -4.628 1.00 0.00 C ATOM 0 HA PRO A 8 2.143 -5.245 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.090 -6.687 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.386 -6.763 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.319 -8.721 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.137 -9.034 -6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.402 -9.203 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.253 -8.830 -5.289 1.00 0.00 H new ATOM 131 N PRO A 9 0.036 -4.662 -3.803 1.00 0.00 N ATOM 132 CA PRO A 9 -0.945 -4.141 -2.818 1.00 0.00 C ATOM 133 C PRO A 9 -2.181 -5.047 -2.762 1.00 0.00 C ATOM 134 O PRO A 9 -2.138 -6.196 -3.152 1.00 0.00 O ATOM 135 CB PRO A 9 -1.306 -2.762 -3.368 1.00 0.00 C ATOM 136 CG PRO A 9 -1.022 -2.845 -4.834 1.00 0.00 C ATOM 137 CD PRO A 9 0.106 -3.828 -5.008 1.00 0.00 C ATOM 0 HA PRO A 9 -0.552 -4.101 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.353 -2.524 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.712 -1.980 -2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.907 -3.172 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.746 -1.867 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.018 -4.422 -5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.068 -3.322 -5.088 1.00 0.00 H new ATOM 145 N TYR A 10 -3.282 -4.534 -2.283 1.00 0.00 N ATOM 146 CA TYR A 10 -4.524 -5.358 -2.206 1.00 0.00 C ATOM 147 C TYR A 10 -5.748 -4.477 -2.435 1.00 0.00 C ATOM 148 O TYR A 10 -6.288 -3.887 -1.520 1.00 0.00 O ATOM 149 CB TYR A 10 -4.528 -5.940 -0.792 1.00 0.00 C ATOM 150 CG TYR A 10 -5.781 -6.753 -0.593 1.00 0.00 C ATOM 151 CD1 TYR A 10 -6.048 -7.843 -1.431 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.681 -6.416 0.423 1.00 0.00 C ATOM 153 CE1 TYR A 10 -7.213 -8.595 -1.252 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.847 -7.167 0.602 1.00 0.00 C ATOM 155 CZ TYR A 10 -8.113 -8.256 -0.235 1.00 0.00 C ATOM 156 OH TYR A 10 -9.264 -8.995 -0.058 1.00 0.00 O ATOM 0 H TYR A 10 -3.376 -3.578 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.552 -6.142 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.647 -6.564 -0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.480 -5.138 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.353 -8.103 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.475 -5.576 1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.418 -9.436 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.542 -6.906 1.386 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.777 -8.627 0.691 1.00 0.00 H new ATOM 166 N THR A 11 -6.195 -4.405 -3.656 1.00 0.00 N ATOM 167 CA THR A 11 -7.391 -3.584 -3.971 1.00 0.00 C ATOM 168 C THR A 11 -8.572 -4.090 -3.146 1.00 0.00 C ATOM 169 O THR A 11 -9.526 -3.379 -2.904 1.00 0.00 O ATOM 170 CB THR A 11 -7.631 -3.796 -5.471 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.810 -2.901 -6.208 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.099 -3.528 -5.812 1.00 0.00 C ATOM 0 H THR A 11 -5.779 -4.884 -4.454 1.00 0.00 H new ATOM 0 HA THR A 11 -7.263 -2.527 -3.738 1.00 0.00 H new ATOM 0 HB THR A 11 -7.386 -4.826 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.569 -2.137 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.258 -3.681 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.734 -4.211 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.351 -2.500 -5.551 1.00 0.00 H new ATOM 180 N GLY A 12 -8.511 -5.320 -2.718 1.00 0.00 N ATOM 181 CA GLY A 12 -9.637 -5.876 -1.913 1.00 0.00 C ATOM 182 C GLY A 12 -10.920 -5.854 -2.748 1.00 0.00 C ATOM 183 O GLY A 12 -10.934 -5.348 -3.853 1.00 0.00 O ATOM 0 H GLY A 12 -7.736 -5.961 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.409 -6.896 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.772 -5.290 -1.004 1.00 0.00 H new ATOM 187 N PRO A 13 -11.961 -6.414 -2.189 1.00 0.00 N ATOM 188 CA PRO A 13 -13.264 -6.467 -2.888 1.00 0.00 C ATOM 189 C PRO A 13 -14.018 -5.137 -2.731 1.00 0.00 C ATOM 190 O PRO A 13 -13.788 -4.199 -3.469 1.00 0.00 O ATOM 191 CB PRO A 13 -13.994 -7.605 -2.181 1.00 0.00 C ATOM 192 CG PRO A 13 -13.386 -7.683 -0.811 1.00 0.00 C ATOM 193 CD PRO A 13 -12.017 -7.047 -0.869 1.00 0.00 C ATOM 0 HA PRO A 13 -13.172 -6.628 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.065 -7.409 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.870 -8.545 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -14.015 -7.167 -0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.310 -8.721 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.886 -6.315 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.229 -7.791 -0.752 1.00 0.00 H new ATOM 201 N CYS A 14 -14.911 -5.047 -1.775 1.00 0.00 N ATOM 202 CA CYS A 14 -15.679 -3.781 -1.570 1.00 0.00 C ATOM 203 C CYS A 14 -16.050 -3.146 -2.915 1.00 0.00 C ATOM 204 O CYS A 14 -16.027 -3.790 -3.947 1.00 0.00 O ATOM 205 CB CYS A 14 -14.737 -2.867 -0.783 1.00 0.00 C ATOM 206 SG CYS A 14 -14.972 -3.140 0.992 1.00 0.00 S ATOM 0 H CYS A 14 -15.141 -5.800 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.616 -3.955 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.702 -3.070 -1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.934 -1.824 -1.030 1.00 0.00 H new ATOM 211 N LYS A 15 -16.392 -1.886 -2.910 1.00 0.00 N ATOM 212 CA LYS A 15 -16.762 -1.204 -4.182 1.00 0.00 C ATOM 213 C LYS A 15 -16.236 0.231 -4.173 1.00 0.00 C ATOM 214 O LYS A 15 -16.665 1.068 -4.943 1.00 0.00 O ATOM 215 CB LYS A 15 -18.291 -1.219 -4.214 1.00 0.00 C ATOM 216 CG LYS A 15 -18.773 -2.437 -5.004 1.00 0.00 C ATOM 217 CD LYS A 15 -20.027 -2.070 -5.802 1.00 0.00 C ATOM 218 CE LYS A 15 -20.584 -3.322 -6.483 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.376 -4.013 -5.427 1.00 0.00 N ATOM 0 H LYS A 15 -16.431 -1.299 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.337 -1.696 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.686 -1.251 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.665 -0.304 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.988 -2.779 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.991 -3.261 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.778 -1.638 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.787 -1.313 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.208 -3.062 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.782 -3.959 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.172 -5.033 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.119 -3.631 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.390 -3.859 -5.597 1.00 0.00 H new ATOM 233 N ALA A 16 -15.307 0.522 -3.304 1.00 0.00 N ATOM 234 CA ALA A 16 -14.748 1.901 -3.240 1.00 0.00 C ATOM 235 C ALA A 16 -13.430 1.969 -4.016 1.00 0.00 C ATOM 236 O ALA A 16 -12.981 0.991 -4.581 1.00 0.00 O ATOM 237 CB ALA A 16 -14.510 2.162 -1.752 1.00 0.00 C ATOM 0 H ALA A 16 -14.911 -0.138 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.416 2.641 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.097 3.162 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.455 2.085 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.809 1.425 -1.361 1.00 0.00 H new ATOM 243 N ARG A 17 -12.808 3.115 -4.052 1.00 0.00 N ATOM 244 CA ARG A 17 -11.522 3.235 -4.795 1.00 0.00 C ATOM 245 C ARG A 17 -10.684 4.384 -4.232 1.00 0.00 C ATOM 246 O ARG A 17 -10.515 5.411 -4.859 1.00 0.00 O ATOM 247 CB ARG A 17 -11.925 3.521 -6.242 1.00 0.00 C ATOM 248 CG ARG A 17 -13.026 4.584 -6.268 1.00 0.00 C ATOM 249 CD ARG A 17 -13.144 5.165 -7.679 1.00 0.00 C ATOM 250 NE ARG A 17 -14.568 5.583 -7.804 1.00 0.00 N ATOM 251 CZ ARG A 17 -15.289 5.155 -8.805 1.00 0.00 C ATOM 252 NH1 ARG A 17 -15.333 5.836 -9.918 1.00 0.00 N ATOM 253 NH2 ARG A 17 -15.967 4.046 -8.692 1.00 0.00 N ATOM 0 H ARG A 17 -13.133 3.970 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.914 2.334 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.060 3.865 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.277 2.607 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.976 4.146 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.798 5.376 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.471 6.011 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.882 4.424 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.980 6.204 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.804 6.703 -10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.897 5.501 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.934 3.514 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.531 3.711 -9.473 1.00 0.00 H new ATOM 267 N ILE A 18 -10.149 4.215 -3.055 1.00 0.00 N ATOM 268 CA ILE A 18 -9.312 5.291 -2.455 1.00 0.00 C ATOM 269 C ILE A 18 -7.869 5.155 -2.945 1.00 0.00 C ATOM 270 O ILE A 18 -7.439 4.092 -3.348 1.00 0.00 O ATOM 271 CB ILE A 18 -9.396 5.065 -0.946 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.856 5.168 -0.496 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.566 6.129 -0.225 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.420 3.765 -0.260 1.00 0.00 C ATOM 0 H ILE A 18 -10.255 3.378 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.652 6.290 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.009 4.075 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.925 5.757 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.445 5.685 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.625 5.969 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.527 6.059 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.954 7.119 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.459 3.840 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.366 3.191 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.837 3.264 0.513 1.00 0.00 H new ATOM 286 N ILE A 19 -7.117 6.221 -2.921 1.00 0.00 N ATOM 287 CA ILE A 19 -5.704 6.145 -3.394 1.00 0.00 C ATOM 288 C ILE A 19 -4.756 5.878 -2.220 1.00 0.00 C ATOM 289 O ILE A 19 -4.123 6.778 -1.705 1.00 0.00 O ATOM 290 CB ILE A 19 -5.422 7.514 -4.013 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.489 7.826 -5.068 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.042 7.506 -4.673 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.669 6.617 -5.990 1.00 0.00 C ATOM 0 H ILE A 19 -7.418 7.140 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.553 5.334 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.445 8.275 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.434 8.070 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.195 8.699 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.844 8.483 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.282 7.284 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.016 6.745 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.428 6.841 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.724 6.394 -6.486 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.983 5.755 -5.402 1.00 0.00 H new ATOM 305 N ARG A 20 -4.647 4.645 -1.799 1.00 0.00 N ATOM 306 CA ARG A 20 -3.732 4.323 -0.665 1.00 0.00 C ATOM 307 C ARG A 20 -2.295 4.200 -1.180 1.00 0.00 C ATOM 308 O ARG A 20 -2.046 4.280 -2.367 1.00 0.00 O ATOM 309 CB ARG A 20 -4.233 2.986 -0.117 1.00 0.00 C ATOM 310 CG ARG A 20 -5.504 3.219 0.704 1.00 0.00 C ATOM 311 CD ARG A 20 -5.128 3.445 2.170 1.00 0.00 C ATOM 312 NE ARG A 20 -6.201 4.320 2.717 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.342 4.453 4.009 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.439 3.972 4.820 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.388 5.068 4.491 1.00 0.00 N ATOM 0 H ARG A 20 -5.151 3.849 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.729 5.094 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.437 2.298 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.465 2.524 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.046 4.083 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.169 2.360 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.074 2.501 2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.150 3.919 2.257 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.827 4.816 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.621 3.491 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.551 4.077 5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.095 5.444 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.499 5.172 5.500 1.00 0.00 H new ATOM 329 N TYR A 21 -1.345 4.018 -0.304 1.00 0.00 N ATOM 330 CA TYR A 21 0.069 3.906 -0.768 1.00 0.00 C ATOM 331 C TYR A 21 0.646 2.527 -0.459 1.00 0.00 C ATOM 332 O TYR A 21 0.266 1.873 0.492 1.00 0.00 O ATOM 333 CB TYR A 21 0.835 4.973 0.011 1.00 0.00 C ATOM 334 CG TYR A 21 0.385 6.345 -0.423 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.750 6.919 0.156 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.107 7.043 -1.397 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.165 8.197 -0.239 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.692 8.320 -1.793 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.445 8.896 -1.214 1.00 0.00 C ATOM 340 OH TYR A 21 -0.854 10.155 -1.604 1.00 0.00 O ATOM 0 H TYR A 21 -1.483 3.942 0.704 1.00 0.00 H new ATOM 0 HA TYR A 21 0.141 4.043 -1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.666 4.847 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.906 4.861 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.306 6.378 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.984 6.597 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.041 8.643 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.248 8.860 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.243 10.500 -2.288 1.00 0.00 H new ATOM 350 N PHE A 22 1.585 2.097 -1.255 1.00 0.00 N ATOM 351 CA PHE A 22 2.230 0.775 -1.023 1.00 0.00 C ATOM 352 C PHE A 22 3.669 0.824 -1.540 1.00 0.00 C ATOM 353 O PHE A 22 4.028 1.691 -2.311 1.00 0.00 O ATOM 354 CB PHE A 22 1.388 -0.233 -1.808 1.00 0.00 C ATOM 355 CG PHE A 22 1.758 -0.201 -3.273 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.158 0.729 -4.129 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.702 -1.106 -3.772 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.502 0.755 -5.486 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.046 -1.081 -5.129 1.00 0.00 C ATOM 360 CZ PHE A 22 2.446 -0.150 -5.986 1.00 0.00 C ATOM 0 H PHE A 22 1.936 2.610 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 22 2.275 0.502 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.544 -1.235 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.329 -0.003 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.430 1.427 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.165 -1.823 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.039 1.473 -6.147 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.774 -1.779 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.711 -0.130 -7.033 1.00 0.00 H new ATOM 370 N TYR A 23 4.499 -0.081 -1.119 1.00 0.00 N ATOM 371 CA TYR A 23 5.916 -0.054 -1.590 1.00 0.00 C ATOM 372 C TYR A 23 6.067 -0.805 -2.917 1.00 0.00 C ATOM 373 O TYR A 23 6.013 -2.018 -2.964 1.00 0.00 O ATOM 374 CB TYR A 23 6.725 -0.753 -0.498 1.00 0.00 C ATOM 375 CG TYR A 23 8.189 -0.657 -0.857 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.844 0.577 -0.773 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.883 -1.791 -1.296 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.194 0.678 -1.122 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.234 -1.689 -1.649 1.00 0.00 C ATOM 380 CZ TYR A 23 10.890 -0.456 -1.562 1.00 0.00 C ATOM 381 OH TYR A 23 12.221 -0.357 -1.910 1.00 0.00 O ATOM 0 H TYR A 23 4.266 -0.836 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 23 6.255 0.967 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.540 -0.286 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.423 -1.797 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.306 1.452 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.377 -2.743 -1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.700 1.629 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.770 -2.563 -1.989 1.00 0.00 H new ATOM 0 HH TYR A 23 12.421 0.564 -2.180 1.00 0.00 H new ATOM 391 N ASN A 24 6.272 -0.097 -3.994 1.00 0.00 N ATOM 392 CA ASN A 24 6.442 -0.777 -5.310 1.00 0.00 C ATOM 393 C ASN A 24 7.900 -1.199 -5.492 1.00 0.00 C ATOM 394 O ASN A 24 8.709 -0.450 -5.998 1.00 0.00 O ATOM 395 CB ASN A 24 6.063 0.270 -6.357 1.00 0.00 C ATOM 396 CG ASN A 24 6.326 -0.291 -7.756 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.001 -1.290 -7.905 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.818 0.313 -8.794 1.00 0.00 N ATOM 0 H ASN A 24 6.329 0.921 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 24 5.828 -1.674 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.012 0.540 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.643 1.180 -6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.987 -0.053 -9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.251 1.152 -8.669 1.00 0.00 H new ATOM 405 N ALA A 25 8.247 -2.388 -5.086 1.00 0.00 N ATOM 406 CA ALA A 25 9.659 -2.833 -5.250 1.00 0.00 C ATOM 407 C ALA A 25 10.145 -2.482 -6.655 1.00 0.00 C ATOM 408 O ALA A 25 11.317 -2.260 -6.885 1.00 0.00 O ATOM 409 CB ALA A 25 9.629 -4.349 -5.053 1.00 0.00 C ATOM 0 H ALA A 25 7.621 -3.066 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 25 10.334 -2.352 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.637 -4.750 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.250 -4.579 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.978 -4.800 -5.802 1.00 0.00 H new ATOM 415 N LYS A 26 9.245 -2.421 -7.598 1.00 0.00 N ATOM 416 CA LYS A 26 9.645 -2.073 -8.987 1.00 0.00 C ATOM 417 C LYS A 26 10.031 -0.595 -9.059 1.00 0.00 C ATOM 418 O LYS A 26 10.823 -0.188 -9.887 1.00 0.00 O ATOM 419 CB LYS A 26 8.406 -2.350 -9.838 1.00 0.00 C ATOM 420 CG LYS A 26 8.780 -3.257 -11.011 1.00 0.00 C ATOM 421 CD LYS A 26 8.113 -2.740 -12.286 1.00 0.00 C ATOM 422 CE LYS A 26 6.699 -3.315 -12.391 1.00 0.00 C ATOM 423 NZ LYS A 26 5.820 -2.135 -12.624 1.00 0.00 N ATOM 0 H LYS A 26 8.249 -2.598 -7.464 1.00 0.00 H new ATOM 0 HA LYS A 26 10.506 -2.647 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.634 -2.824 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.990 -1.413 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.862 -3.279 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.462 -4.280 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.074 -1.651 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.700 -3.028 -13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.624 -4.031 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.419 -3.842 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.832 -2.449 -12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.907 -1.474 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.106 -1.657 -13.502 1.00 0.00 H new ATOM 437 N ALA A 27 9.480 0.214 -8.193 1.00 0.00 N ATOM 438 CA ALA A 27 9.823 1.665 -8.211 1.00 0.00 C ATOM 439 C ALA A 27 10.920 1.957 -7.182 1.00 0.00 C ATOM 440 O ALA A 27 11.586 2.972 -7.241 1.00 0.00 O ATOM 441 CB ALA A 27 8.528 2.388 -7.836 1.00 0.00 C ATOM 0 H ALA A 27 8.810 -0.066 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 27 10.200 1.989 -9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.701 3.464 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.754 2.150 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.205 2.065 -6.846 1.00 0.00 H new ATOM 447 N GLY A 28 11.113 1.075 -6.239 1.00 0.00 N ATOM 448 CA GLY A 28 12.166 1.303 -5.208 1.00 0.00 C ATOM 449 C GLY A 28 11.602 2.175 -4.083 1.00 0.00 C ATOM 450 O GLY A 28 12.265 2.443 -3.099 1.00 0.00 O ATOM 0 H GLY A 28 10.587 0.207 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.508 0.349 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.032 1.788 -5.659 1.00 0.00 H new ATOM 454 N LEU A 29 10.380 2.616 -4.215 1.00 0.00 N ATOM 455 CA LEU A 29 9.769 3.465 -3.158 1.00 0.00 C ATOM 456 C LEU A 29 8.278 3.127 -3.033 1.00 0.00 C ATOM 457 O LEU A 29 7.879 1.992 -3.198 1.00 0.00 O ATOM 458 CB LEU A 29 9.981 4.904 -3.640 1.00 0.00 C ATOM 459 CG LEU A 29 9.454 5.055 -5.068 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.174 5.890 -5.057 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.510 5.756 -5.925 1.00 0.00 C ATOM 0 H LEU A 29 9.777 2.422 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 29 10.210 3.311 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.466 5.599 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.041 5.157 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 29 9.240 4.070 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.800 5.996 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.421 5.394 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.386 6.876 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.138 5.865 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.722 6.741 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.424 5.162 -5.934 1.00 0.00 H new ATOM 473 N CYS A 30 7.455 4.094 -2.741 1.00 0.00 N ATOM 474 CA CYS A 30 5.997 3.811 -2.601 1.00 0.00 C ATOM 475 C CYS A 30 5.193 4.522 -3.690 1.00 0.00 C ATOM 476 O CYS A 30 5.568 5.571 -4.174 1.00 0.00 O ATOM 477 CB CYS A 30 5.609 4.355 -1.225 1.00 0.00 C ATOM 478 SG CYS A 30 6.575 3.517 0.056 1.00 0.00 S ATOM 0 H CYS A 30 7.726 5.066 -2.593 1.00 0.00 H new ATOM 0 HA CYS A 30 5.788 2.746 -2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.788 5.429 -1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.544 4.202 -1.050 1.00 0.00 H new ATOM 483 N GLN A 31 4.077 3.959 -4.063 1.00 0.00 N ATOM 484 CA GLN A 31 3.224 4.592 -5.106 1.00 0.00 C ATOM 485 C GLN A 31 1.757 4.499 -4.686 1.00 0.00 C ATOM 486 O GLN A 31 1.430 3.924 -3.666 1.00 0.00 O ATOM 487 CB GLN A 31 3.473 3.782 -6.378 1.00 0.00 C ATOM 488 CG GLN A 31 4.784 4.239 -7.023 1.00 0.00 C ATOM 489 CD GLN A 31 4.589 4.394 -8.532 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.481 4.325 -9.024 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.631 4.603 -9.291 1.00 0.00 N ATOM 0 H GLN A 31 3.718 3.082 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 31 3.456 5.647 -5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.522 2.719 -6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.646 3.916 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.103 5.186 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.572 3.514 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.561 4.661 -8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.515 4.709 -10.299 1.00 0.00 H new ATOM 500 N THR A 32 0.870 5.059 -5.456 1.00 0.00 N ATOM 501 CA THR A 32 -0.569 4.996 -5.084 1.00 0.00 C ATOM 502 C THR A 32 -1.239 3.797 -5.754 1.00 0.00 C ATOM 503 O THR A 32 -0.928 3.442 -6.873 1.00 0.00 O ATOM 504 CB THR A 32 -1.168 6.305 -5.601 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.799 6.485 -6.961 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.639 7.474 -4.769 1.00 0.00 C ATOM 0 H THR A 32 1.077 5.555 -6.323 1.00 0.00 H new ATOM 0 HA THR A 32 -0.713 4.877 -4.010 1.00 0.00 H new ATOM 0 HB THR A 32 -2.254 6.267 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.183 7.322 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.066 8.406 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.920 7.334 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.447 7.516 -4.850 1.00 0.00 H new ATOM 514 N PHE A 33 -2.163 3.176 -5.077 1.00 0.00 N ATOM 515 CA PHE A 33 -2.866 2.006 -5.676 1.00 0.00 C ATOM 516 C PHE A 33 -4.327 1.994 -5.233 1.00 0.00 C ATOM 517 O PHE A 33 -4.702 2.634 -4.271 1.00 0.00 O ATOM 518 CB PHE A 33 -2.112 0.767 -5.176 1.00 0.00 C ATOM 519 CG PHE A 33 -2.587 0.361 -3.793 1.00 0.00 C ATOM 520 CD1 PHE A 33 -3.653 -0.538 -3.656 1.00 0.00 C ATOM 521 CD2 PHE A 33 -1.956 0.873 -2.651 1.00 0.00 C ATOM 522 CE1 PHE A 33 -4.085 -0.923 -2.381 1.00 0.00 C ATOM 523 CE2 PHE A 33 -2.388 0.487 -1.378 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.453 -0.411 -1.242 1.00 0.00 C ATOM 0 H PHE A 33 -2.463 3.427 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.873 2.039 -6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.260 -0.059 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.042 0.974 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.142 -0.934 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.135 1.567 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.907 -1.616 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.900 0.882 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.787 -0.709 -0.259 1.00 0.00 H new ATOM 534 N VAL A 34 -5.156 1.280 -5.936 1.00 0.00 N ATOM 535 CA VAL A 34 -6.599 1.239 -5.566 1.00 0.00 C ATOM 536 C VAL A 34 -6.802 0.370 -4.325 1.00 0.00 C ATOM 537 O VAL A 34 -6.258 -0.709 -4.212 1.00 0.00 O ATOM 538 CB VAL A 34 -7.306 0.625 -6.773 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.755 0.300 -6.403 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.290 1.622 -7.934 1.00 0.00 C ATOM 0 H VAL A 34 -4.900 0.722 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.990 2.228 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.791 -0.289 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.261 -0.138 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.769 -0.408 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.269 1.215 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.794 1.185 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.806 2.535 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.259 1.857 -8.198 1.00 0.00 H new ATOM 550 N TYR A 35 -7.585 0.838 -3.393 1.00 0.00 N ATOM 551 CA TYR A 35 -7.832 0.046 -2.153 1.00 0.00 C ATOM 552 C TYR A 35 -9.336 -0.209 -1.991 1.00 0.00 C ATOM 553 O TYR A 35 -10.154 0.639 -2.287 1.00 0.00 O ATOM 554 CB TYR A 35 -7.298 0.926 -1.021 1.00 0.00 C ATOM 555 CG TYR A 35 -7.670 0.327 0.312 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.648 -1.062 0.487 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.040 1.161 1.372 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.997 -1.616 1.725 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.388 0.608 2.609 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.367 -0.780 2.786 1.00 0.00 C ATOM 561 OH TYR A 35 -8.712 -1.326 4.006 1.00 0.00 O ATOM 0 H TYR A 35 -8.066 1.736 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.348 -0.931 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.215 1.017 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.709 1.932 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.362 -1.706 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.057 2.232 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.981 -2.687 1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.673 1.252 3.428 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.895 -0.607 4.646 1.00 0.00 H new ATOM 571 N GLY A 36 -9.709 -1.377 -1.536 1.00 0.00 N ATOM 572 CA GLY A 36 -11.160 -1.686 -1.372 1.00 0.00 C ATOM 573 C GLY A 36 -11.709 -0.970 -0.137 1.00 0.00 C ATOM 574 O GLY A 36 -12.883 -1.055 0.168 1.00 0.00 O ATOM 0 H GLY A 36 -9.072 -2.129 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.710 -1.372 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.302 -2.762 -1.272 1.00 0.00 H new ATOM 578 N ALA A 37 -10.873 -0.264 0.575 1.00 0.00 N ATOM 579 CA ALA A 37 -11.344 0.462 1.794 1.00 0.00 C ATOM 580 C ALA A 37 -11.664 -0.528 2.917 1.00 0.00 C ATOM 581 O ALA A 37 -12.096 -0.145 3.987 1.00 0.00 O ATOM 582 CB ALA A 37 -12.611 1.204 1.361 1.00 0.00 C ATOM 0 H ALA A 37 -9.880 -0.157 0.366 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.585 1.143 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.014 1.761 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.370 1.895 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.353 0.485 1.014 1.00 0.00 H new ATOM 588 N CYS A 38 -11.458 -1.798 2.690 1.00 0.00 N ATOM 589 CA CYS A 38 -11.755 -2.801 3.751 1.00 0.00 C ATOM 590 C CYS A 38 -10.703 -3.914 3.731 1.00 0.00 C ATOM 591 O CYS A 38 -10.052 -4.148 2.732 1.00 0.00 O ATOM 592 CB CYS A 38 -13.134 -3.359 3.393 1.00 0.00 C ATOM 593 SG CYS A 38 -13.172 -3.797 1.635 1.00 0.00 S ATOM 0 H CYS A 38 -11.097 -2.183 1.817 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.739 -2.365 4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.352 -4.236 4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.905 -2.620 3.611 1.00 0.00 H new ATOM 598 N ARG A 39 -10.529 -4.599 4.828 1.00 0.00 N ATOM 599 CA ARG A 39 -9.520 -5.697 4.872 1.00 0.00 C ATOM 600 C ARG A 39 -8.134 -5.165 4.492 1.00 0.00 C ATOM 601 O ARG A 39 -7.351 -5.845 3.858 1.00 0.00 O ATOM 602 CB ARG A 39 -10.001 -6.717 3.840 1.00 0.00 C ATOM 603 CG ARG A 39 -11.132 -7.555 4.435 1.00 0.00 C ATOM 604 CD ARG A 39 -12.141 -7.899 3.338 1.00 0.00 C ATOM 605 NE ARG A 39 -11.774 -9.271 2.893 1.00 0.00 N ATOM 606 CZ ARG A 39 -12.197 -10.309 3.561 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.452 -10.664 3.489 1.00 0.00 N ATOM 608 NH2 ARG A 39 -11.366 -10.990 4.301 1.00 0.00 N ATOM 0 H ARG A 39 -11.042 -4.446 5.696 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.430 -6.132 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.348 -6.205 2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.176 -7.363 3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.730 -8.468 4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.624 -7.005 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.162 -7.867 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.085 -7.188 2.513 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.192 -9.400 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.101 -10.130 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.783 -11.475 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.387 -10.711 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.696 -11.802 4.824 1.00 0.00 H new ATOM 622 N ALA A 40 -7.825 -3.956 4.872 1.00 0.00 N ATOM 623 CA ALA A 40 -6.489 -3.387 4.530 1.00 0.00 C ATOM 624 C ALA A 40 -5.377 -4.315 5.029 1.00 0.00 C ATOM 625 O ALA A 40 -5.529 -5.006 6.016 1.00 0.00 O ATOM 626 CB ALA A 40 -6.432 -2.044 5.255 1.00 0.00 C ATOM 0 H ALA A 40 -8.438 -3.338 5.404 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.351 -3.274 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.476 -1.561 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.242 -1.406 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.537 -2.205 6.328 1.00 0.00 H new ATOM 632 N LYS A 41 -4.261 -4.333 4.354 1.00 0.00 N ATOM 633 CA LYS A 41 -3.141 -5.216 4.792 1.00 0.00 C ATOM 634 C LYS A 41 -1.865 -4.392 4.993 1.00 0.00 C ATOM 635 O LYS A 41 -1.887 -3.178 4.961 1.00 0.00 O ATOM 636 CB LYS A 41 -2.957 -6.218 3.651 1.00 0.00 C ATOM 637 CG LYS A 41 -4.320 -6.764 3.220 1.00 0.00 C ATOM 638 CD LYS A 41 -4.121 -8.014 2.361 1.00 0.00 C ATOM 639 CE LYS A 41 -3.049 -7.745 1.301 1.00 0.00 C ATOM 640 NZ LYS A 41 -1.843 -8.472 1.785 1.00 0.00 N ATOM 0 H LYS A 41 -4.075 -3.776 3.520 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.352 -5.711 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.464 -5.736 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.312 -7.036 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.921 -7.004 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.866 -6.006 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.824 -8.855 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.060 -8.291 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.362 -8.107 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.853 -6.678 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.007 -7.861 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.971 -8.729 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.708 -9.335 1.220 1.00 0.00 H new ATOM 654 N ARG A 42 -0.752 -5.045 5.193 1.00 0.00 N ATOM 655 CA ARG A 42 0.525 -4.300 5.388 1.00 0.00 C ATOM 656 C ARG A 42 0.919 -3.529 4.121 1.00 0.00 C ATOM 657 O ARG A 42 1.502 -2.467 4.196 1.00 0.00 O ATOM 658 CB ARG A 42 1.568 -5.368 5.719 1.00 0.00 C ATOM 659 CG ARG A 42 1.856 -6.197 4.476 1.00 0.00 C ATOM 660 CD ARG A 42 2.219 -7.620 4.903 1.00 0.00 C ATOM 661 NE ARG A 42 1.030 -8.120 5.637 1.00 0.00 N ATOM 662 CZ ARG A 42 1.151 -8.543 6.866 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.928 -7.909 7.700 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.503 -9.607 7.260 1.00 0.00 N ATOM 0 H ARG A 42 -0.672 -6.061 5.230 1.00 0.00 H new ATOM 0 HA ARG A 42 0.437 -3.556 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.484 -4.898 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.205 -6.010 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.984 -6.211 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.674 -5.754 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.441 -8.246 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.105 -7.627 5.537 1.00 0.00 H new ATOM 0 HE ARG A 42 0.118 -8.133 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.441 -7.083 7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.023 -8.239 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.099 -10.109 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.599 -9.936 8.221 1.00 0.00 H new ATOM 678 N ASN A 43 0.609 -4.042 2.960 1.00 0.00 N ATOM 679 CA ASN A 43 0.976 -3.305 1.717 1.00 0.00 C ATOM 680 C ASN A 43 -0.149 -2.337 1.348 1.00 0.00 C ATOM 681 O ASN A 43 -0.678 -2.359 0.254 1.00 0.00 O ATOM 682 CB ASN A 43 1.153 -4.374 0.638 1.00 0.00 C ATOM 683 CG ASN A 43 2.120 -3.854 -0.430 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.699 -3.341 -1.447 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.408 -3.965 -0.239 1.00 0.00 N ATOM 0 H ASN A 43 0.124 -4.928 2.819 1.00 0.00 H new ATOM 0 HA ASN A 43 1.886 -2.716 1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.539 -5.293 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.190 -4.616 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.060 -3.621 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.762 -4.396 0.615 1.00 0.00 H new ATOM 692 N ASN A 44 -0.516 -1.494 2.269 1.00 0.00 N ATOM 693 CA ASN A 44 -1.608 -0.512 2.019 1.00 0.00 C ATOM 694 C ASN A 44 -1.460 0.646 3.009 1.00 0.00 C ATOM 695 O ASN A 44 -2.169 0.733 3.990 1.00 0.00 O ATOM 696 CB ASN A 44 -2.897 -1.297 2.284 1.00 0.00 C ATOM 697 CG ASN A 44 -4.116 -0.387 2.113 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.980 0.805 1.926 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.312 -0.911 2.166 1.00 0.00 N ATOM 0 H ASN A 44 -0.100 -1.442 3.199 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.596 -0.090 1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.965 -2.141 1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.880 -1.708 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.134 -0.318 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.423 -1.913 2.323 1.00 0.00 H new ATOM 706 N PHE A 45 -0.523 1.523 2.769 1.00 0.00 N ATOM 707 CA PHE A 45 -0.304 2.659 3.708 1.00 0.00 C ATOM 708 C PHE A 45 -1.233 3.827 3.366 1.00 0.00 C ATOM 709 O PHE A 45 -1.415 4.176 2.217 1.00 0.00 O ATOM 710 CB PHE A 45 1.165 3.049 3.514 1.00 0.00 C ATOM 711 CG PHE A 45 2.021 1.798 3.492 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.313 1.122 4.686 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.513 1.307 2.276 1.00 0.00 C ATOM 714 CE1 PHE A 45 3.097 -0.044 4.662 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.294 0.141 2.250 1.00 0.00 C ATOM 716 CZ PHE A 45 3.587 -0.535 3.442 1.00 0.00 C ATOM 0 H PHE A 45 0.101 1.501 1.962 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.520 2.390 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.286 3.602 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.487 3.709 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.935 1.498 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.291 1.827 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.322 -0.562 5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.670 -0.236 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.189 -1.432 3.422 1.00 0.00 H new ATOM 726 N LYS A 46 -1.823 4.431 4.360 1.00 0.00 N ATOM 727 CA LYS A 46 -2.742 5.574 4.102 1.00 0.00 C ATOM 728 C LYS A 46 -1.983 6.715 3.424 1.00 0.00 C ATOM 729 O LYS A 46 -2.551 7.510 2.702 1.00 0.00 O ATOM 730 CB LYS A 46 -3.233 6.004 5.485 1.00 0.00 C ATOM 731 CG LYS A 46 -4.269 7.120 5.337 1.00 0.00 C ATOM 732 CD LYS A 46 -4.012 8.200 6.391 1.00 0.00 C ATOM 733 CE LYS A 46 -4.184 7.602 7.790 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.861 7.781 8.449 1.00 0.00 N ATOM 0 H LYS A 46 -1.708 4.181 5.342 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.566 5.304 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.672 5.154 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.394 6.350 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.213 7.552 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.274 6.715 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.005 8.601 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.704 9.031 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.973 8.112 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.460 6.549 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.968 7.669 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.195 7.067 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.495 8.732 8.240 1.00 0.00 H new ATOM 748 N SER A 47 -0.703 6.802 3.651 1.00 0.00 N ATOM 749 CA SER A 47 0.091 7.893 3.019 1.00 0.00 C ATOM 750 C SER A 47 1.495 7.394 2.675 1.00 0.00 C ATOM 751 O SER A 47 1.952 6.395 3.190 1.00 0.00 O ATOM 752 CB SER A 47 0.156 8.994 4.077 1.00 0.00 C ATOM 753 OG SER A 47 0.898 8.527 5.194 1.00 0.00 O ATOM 0 H SER A 47 -0.172 6.166 4.246 1.00 0.00 H new ATOM 0 HA SER A 47 -0.355 8.246 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.625 9.886 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.850 9.277 4.387 1.00 0.00 H new ATOM 0 HG SER A 47 0.943 9.231 5.874 1.00 0.00 H new ATOM 759 N ALA A 48 2.185 8.088 1.810 1.00 0.00 N ATOM 760 CA ALA A 48 3.562 7.652 1.436 1.00 0.00 C ATOM 761 C ALA A 48 4.492 7.768 2.646 1.00 0.00 C ATOM 762 O ALA A 48 5.536 7.150 2.703 1.00 0.00 O ATOM 763 CB ALA A 48 3.996 8.616 0.331 1.00 0.00 C ATOM 0 H ALA A 48 1.856 8.935 1.347 1.00 0.00 H new ATOM 0 HA ALA A 48 3.595 6.614 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.003 8.361 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.307 8.539 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.988 9.636 0.714 1.00 0.00 H new ATOM 769 N GLU A 49 4.116 8.562 3.612 1.00 0.00 N ATOM 770 CA GLU A 49 4.971 8.730 4.822 1.00 0.00 C ATOM 771 C GLU A 49 4.953 7.458 5.672 1.00 0.00 C ATOM 772 O GLU A 49 5.940 7.093 6.281 1.00 0.00 O ATOM 773 CB GLU A 49 4.339 9.895 5.586 1.00 0.00 C ATOM 774 CG GLU A 49 5.431 10.688 6.308 1.00 0.00 C ATOM 775 CD GLU A 49 6.249 11.481 5.287 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.138 10.898 4.690 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.971 12.657 5.121 1.00 0.00 O ATOM 0 H GLU A 49 3.251 9.103 3.615 1.00 0.00 H new ATOM 0 HA GLU A 49 6.014 8.921 4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.799 10.545 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.612 9.519 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.982 11.365 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.081 10.010 6.862 1.00 0.00 H new ATOM 784 N ASP A 50 3.844 6.773 5.713 1.00 0.00 N ATOM 785 CA ASP A 50 3.770 5.522 6.519 1.00 0.00 C ATOM 786 C ASP A 50 4.422 4.379 5.742 1.00 0.00 C ATOM 787 O ASP A 50 5.030 3.491 6.308 1.00 0.00 O ATOM 788 CB ASP A 50 2.276 5.262 6.716 1.00 0.00 C ATOM 789 CG ASP A 50 2.065 4.417 7.973 1.00 0.00 C ATOM 790 OD1 ASP A 50 3.037 4.167 8.666 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.934 4.034 8.221 1.00 0.00 O ATOM 0 H ASP A 50 2.986 7.025 5.223 1.00 0.00 H new ATOM 0 HA ASP A 50 4.289 5.603 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.741 6.207 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.868 4.747 5.846 1.00 0.00 H new ATOM 796 N CYS A 51 4.315 4.410 4.442 1.00 0.00 N ATOM 797 CA CYS A 51 4.940 3.341 3.612 1.00 0.00 C ATOM 798 C CYS A 51 6.460 3.486 3.667 1.00 0.00 C ATOM 799 O CYS A 51 7.184 2.523 3.828 1.00 0.00 O ATOM 800 CB CYS A 51 4.433 3.594 2.193 1.00 0.00 C ATOM 801 SG CYS A 51 5.208 2.417 1.058 1.00 0.00 S ATOM 0 H CYS A 51 3.820 5.131 3.917 1.00 0.00 H new ATOM 0 HA CYS A 51 4.690 2.338 3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.349 3.489 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.664 4.615 1.889 1.00 0.00 H new ATOM 806 N MET A 52 6.946 4.691 3.539 1.00 0.00 N ATOM 807 CA MET A 52 8.419 4.910 3.590 1.00 0.00 C ATOM 808 C MET A 52 8.939 4.562 4.984 1.00 0.00 C ATOM 809 O MET A 52 9.824 3.744 5.144 1.00 0.00 O ATOM 810 CB MET A 52 8.609 6.400 3.302 1.00 0.00 C ATOM 811 CG MET A 52 8.501 6.647 1.797 1.00 0.00 C ATOM 812 SD MET A 52 9.966 7.541 1.227 1.00 0.00 S ATOM 813 CE MET A 52 10.415 6.400 -0.102 1.00 0.00 C ATOM 0 H MET A 52 6.386 5.533 3.401 1.00 0.00 H new ATOM 0 HA MET A 52 8.961 4.290 2.876 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.855 6.983 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.582 6.730 3.667 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.412 5.699 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.602 7.222 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.224 6.830 -0.693 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.742 5.453 0.327 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.550 6.229 -0.742 1.00 0.00 H new ATOM 823 N ARG A 53 8.388 5.171 5.998 1.00 0.00 N ATOM 824 CA ARG A 53 8.845 4.864 7.380 1.00 0.00 C ATOM 825 C ARG A 53 8.952 3.348 7.553 1.00 0.00 C ATOM 826 O ARG A 53 9.791 2.853 8.279 1.00 0.00 O ATOM 827 CB ARG A 53 7.770 5.447 8.296 1.00 0.00 C ATOM 828 CG ARG A 53 8.428 6.363 9.330 1.00 0.00 C ATOM 829 CD ARG A 53 7.441 7.456 9.745 1.00 0.00 C ATOM 830 NE ARG A 53 6.696 6.884 10.900 1.00 0.00 N ATOM 831 CZ ARG A 53 6.539 7.586 11.989 1.00 0.00 C ATOM 832 NH1 ARG A 53 5.699 8.586 12.004 1.00 0.00 N ATOM 833 NH2 ARG A 53 7.217 7.289 13.063 1.00 0.00 N ATOM 0 H ARG A 53 7.644 5.865 5.929 1.00 0.00 H new ATOM 0 HA ARG A 53 9.825 5.284 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.041 6.006 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.228 4.644 8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.734 5.784 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.330 6.812 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.961 8.372 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.767 7.710 8.927 1.00 0.00 H new ATOM 0 HE ARG A 53 6.308 5.943 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.167 8.817 11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.575 9.135 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.872 6.507 13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.093 7.839 13.913 1.00 0.00 H new ATOM 847 N THR A 54 8.114 2.608 6.876 1.00 0.00 N ATOM 848 CA THR A 54 8.177 1.124 6.986 1.00 0.00 C ATOM 849 C THR A 54 9.317 0.596 6.111 1.00 0.00 C ATOM 850 O THR A 54 10.238 -0.036 6.589 1.00 0.00 O ATOM 851 CB THR A 54 6.826 0.619 6.474 1.00 0.00 C ATOM 852 OG1 THR A 54 5.789 1.109 7.313 1.00 0.00 O ATOM 853 CG2 THR A 54 6.816 -0.910 6.487 1.00 0.00 C ATOM 0 H THR A 54 7.391 2.968 6.253 1.00 0.00 H new ATOM 0 HA THR A 54 8.365 0.789 8.006 1.00 0.00 H new ATOM 0 HB THR A 54 6.666 0.974 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.429 1.940 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.854 -1.271 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.612 -1.285 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.975 -1.266 7.505 1.00 0.00 H new ATOM 861 N CYS A 55 9.265 0.855 4.832 1.00 0.00 N ATOM 862 CA CYS A 55 10.353 0.373 3.929 1.00 0.00 C ATOM 863 C CYS A 55 11.128 1.559 3.347 1.00 0.00 C ATOM 864 O CYS A 55 12.343 1.574 3.340 1.00 0.00 O ATOM 865 CB CYS A 55 9.641 -0.395 2.817 1.00 0.00 C ATOM 866 SG CYS A 55 8.604 -1.680 3.551 1.00 0.00 S ATOM 0 H CYS A 55 8.519 1.378 4.373 1.00 0.00 H new ATOM 0 HA CYS A 55 11.075 -0.250 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.031 0.285 2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.371 -0.842 2.142 1.00 0.00 H new