USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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= -2.67! C(o=-8.4!,f=-20!) USER MOD Set 1.2: A 31 GLN : amide:sc= -5.76! C(o=-8.4!,f=-20!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -10:sc= 1.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -20:sc= 0.511 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 35 TYR OH : rot 180:sc= -3.5! USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.58 (180deg=1.35) USER MOD Single : A 43 ASN : amide:sc= -0.874 K(o=-0.87,f=-5.2!) USER MOD Single : A 44 ASN : amide:sc= -10! C(o=-10!,f=-23!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 171:sc= -0.0596 (180deg=-0.0718) USER MOD Single : A 54 THR OG1 : rot 101:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.862 -5.103 4.713 1.00 0.00 N ATOM 2 CA ARG A 1 12.496 -4.791 4.202 1.00 0.00 C ATOM 3 C ARG A 1 11.538 -5.949 4.503 1.00 0.00 C ATOM 4 O ARG A 1 11.879 -7.102 4.320 1.00 0.00 O ATOM 5 CB ARG A 1 12.667 -4.621 2.691 1.00 0.00 C ATOM 6 CG ARG A 1 13.159 -3.204 2.388 1.00 0.00 C ATOM 7 CD ARG A 1 13.030 -2.925 0.888 1.00 0.00 C ATOM 8 NE ARG A 1 13.712 -4.071 0.222 1.00 0.00 N ATOM 9 CZ ARG A 1 15.007 -4.214 0.324 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.726 -3.281 0.887 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.583 -5.289 -0.139 1.00 0.00 N ATOM 0 H1 ARG A 1 14.501 -4.310 4.502 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.822 -5.252 5.742 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.217 -5.965 4.252 1.00 0.00 H new ATOM 0 HA ARG A 1 12.076 -3.901 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.379 -5.353 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.719 -4.804 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.577 -2.477 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.197 -3.094 2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.984 -2.859 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.499 -1.978 0.621 1.00 0.00 H new ATOM 0 HE ARG A 1 13.166 -4.745 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.277 -2.439 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.737 -3.394 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.023 -6.018 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.594 -5.401 -0.059 1.00 0.00 H new ATOM 27 N PRO A 2 10.362 -5.598 4.947 1.00 0.00 N ATOM 28 CA PRO A 2 9.327 -6.613 5.268 1.00 0.00 C ATOM 29 C PRO A 2 8.814 -7.284 4.001 1.00 0.00 C ATOM 30 O PRO A 2 8.851 -6.720 2.927 1.00 0.00 O ATOM 31 CB PRO A 2 8.216 -5.802 5.926 1.00 0.00 C ATOM 32 CG PRO A 2 8.407 -4.411 5.413 1.00 0.00 C ATOM 33 CD PRO A 2 9.884 -4.232 5.189 1.00 0.00 C ATOM 0 HA PRO A 2 9.707 -7.412 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.232 -6.190 5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.291 -5.837 7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.854 -4.261 4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.033 -3.680 6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.085 -3.580 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.370 -3.784 6.056 1.00 0.00 H new ATOM 41 N ASP A 3 8.327 -8.484 4.121 1.00 0.00 N ATOM 42 CA ASP A 3 7.799 -9.190 2.928 1.00 0.00 C ATOM 43 C ASP A 3 6.499 -8.526 2.470 1.00 0.00 C ATOM 44 O ASP A 3 6.184 -8.506 1.298 1.00 0.00 O ATOM 45 CB ASP A 3 7.539 -10.621 3.399 1.00 0.00 C ATOM 46 CG ASP A 3 8.712 -11.515 2.990 1.00 0.00 C ATOM 47 OD1 ASP A 3 9.625 -11.010 2.357 1.00 0.00 O ATOM 48 OD2 ASP A 3 8.676 -12.689 3.317 1.00 0.00 O ATOM 0 H ASP A 3 8.272 -9.006 4.995 1.00 0.00 H new ATOM 0 HA ASP A 3 8.488 -9.163 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.413 -10.641 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.613 -10.996 2.963 1.00 0.00 H new ATOM 53 N PHE A 4 5.739 -7.977 3.387 1.00 0.00 N ATOM 54 CA PHE A 4 4.462 -7.316 2.976 1.00 0.00 C ATOM 55 C PHE A 4 4.757 -6.058 2.161 1.00 0.00 C ATOM 56 O PHE A 4 3.912 -5.547 1.453 1.00 0.00 O ATOM 57 CB PHE A 4 3.710 -6.994 4.273 1.00 0.00 C ATOM 58 CG PHE A 4 4.333 -5.819 4.990 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.240 -4.522 4.461 1.00 0.00 C ATOM 60 CD2 PHE A 4 4.990 -6.029 6.205 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.807 -3.449 5.150 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.553 -4.951 6.892 1.00 0.00 C ATOM 63 CZ PHE A 4 5.463 -3.660 6.363 1.00 0.00 C ATOM 0 H PHE A 4 5.943 -7.958 4.386 1.00 0.00 H new ATOM 0 HA PHE A 4 3.857 -7.959 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.667 -6.773 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.716 -7.867 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.731 -4.355 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.063 -7.026 6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.738 -2.451 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.058 -5.115 7.832 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.901 -2.827 6.893 1.00 0.00 H new ATOM 73 N CYS A 5 5.961 -5.571 2.241 1.00 0.00 N ATOM 74 CA CYS A 5 6.340 -4.361 1.467 1.00 0.00 C ATOM 75 C CYS A 5 6.754 -4.759 0.050 1.00 0.00 C ATOM 76 O CYS A 5 6.674 -3.978 -0.877 1.00 0.00 O ATOM 77 CB CYS A 5 7.528 -3.780 2.232 1.00 0.00 C ATOM 78 SG CYS A 5 8.417 -2.605 1.187 1.00 0.00 S ATOM 0 H CYS A 5 6.706 -5.964 2.816 1.00 0.00 H new ATOM 0 HA CYS A 5 5.523 -3.646 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.181 -3.284 3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.198 -4.581 2.544 1.00 0.00 H new ATOM 83 N LEU A 6 7.200 -5.972 -0.120 1.00 0.00 N ATOM 84 CA LEU A 6 7.627 -6.426 -1.474 1.00 0.00 C ATOM 85 C LEU A 6 6.424 -6.969 -2.244 1.00 0.00 C ATOM 86 O LEU A 6 6.465 -7.136 -3.447 1.00 0.00 O ATOM 87 CB LEU A 6 8.652 -7.535 -1.218 1.00 0.00 C ATOM 88 CG LEU A 6 9.589 -7.119 -0.080 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.801 -8.050 -0.048 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.062 -5.681 -0.307 1.00 0.00 C ATOM 0 H LEU A 6 7.288 -6.669 0.619 1.00 0.00 H new ATOM 0 HA LEU A 6 8.049 -5.617 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.141 -8.463 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.227 -7.728 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 6 9.055 -7.183 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.467 -7.753 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.468 -9.075 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.334 -7.987 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.729 -5.385 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.594 -5.619 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.200 -5.014 -0.330 1.00 0.00 H new ATOM 102 N GLU A 7 5.350 -7.242 -1.558 1.00 0.00 N ATOM 103 CA GLU A 7 4.140 -7.769 -2.246 1.00 0.00 C ATOM 104 C GLU A 7 3.379 -6.625 -2.917 1.00 0.00 C ATOM 105 O GLU A 7 3.598 -5.469 -2.611 1.00 0.00 O ATOM 106 CB GLU A 7 3.297 -8.394 -1.134 1.00 0.00 C ATOM 107 CG GLU A 7 3.551 -9.902 -1.087 1.00 0.00 C ATOM 108 CD GLU A 7 2.316 -10.610 -0.528 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.261 -10.480 -1.127 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.446 -11.271 0.489 1.00 0.00 O ATOM 0 H GLU A 7 5.258 -7.123 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 7 4.385 -8.490 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.549 -7.942 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.239 -8.198 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.776 -10.275 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.419 -10.116 -0.464 1.00 0.00 H new ATOM 117 N PRO A 8 2.504 -6.991 -3.809 1.00 0.00 N ATOM 118 CA PRO A 8 1.693 -5.986 -4.535 1.00 0.00 C ATOM 119 C PRO A 8 0.636 -5.388 -3.604 1.00 0.00 C ATOM 120 O PRO A 8 0.410 -5.891 -2.522 1.00 0.00 O ATOM 121 CB PRO A 8 1.044 -6.792 -5.658 1.00 0.00 C ATOM 122 CG PRO A 8 1.019 -8.202 -5.158 1.00 0.00 C ATOM 123 CD PRO A 8 2.188 -8.362 -4.220 1.00 0.00 C ATOM 0 HA PRO A 8 2.278 -5.146 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.038 -6.431 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.615 -6.711 -6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.081 -8.411 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.092 -8.906 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.930 -8.986 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.036 -8.835 -4.716 1.00 0.00 H new ATOM 131 N PRO A 9 0.022 -4.333 -4.060 1.00 0.00 N ATOM 132 CA PRO A 9 -1.024 -3.658 -3.255 1.00 0.00 C ATOM 133 C PRO A 9 -2.288 -4.522 -3.178 1.00 0.00 C ATOM 134 O PRO A 9 -2.411 -5.519 -3.862 1.00 0.00 O ATOM 135 CB PRO A 9 -1.275 -2.356 -4.010 1.00 0.00 C ATOM 136 CG PRO A 9 -0.845 -2.629 -5.416 1.00 0.00 C ATOM 137 CD PRO A 9 0.236 -3.676 -5.354 1.00 0.00 C ATOM 0 HA PRO A 9 -0.727 -3.485 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.327 -2.073 -3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.706 -1.534 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.686 -2.979 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.474 -1.720 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.154 -4.384 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.228 -3.229 -5.415 1.00 0.00 H new ATOM 145 N TYR A 10 -3.219 -4.157 -2.338 1.00 0.00 N ATOM 146 CA TYR A 10 -4.466 -4.970 -2.204 1.00 0.00 C ATOM 147 C TYR A 10 -5.708 -4.107 -2.396 1.00 0.00 C ATOM 148 O TYR A 10 -6.220 -3.513 -1.468 1.00 0.00 O ATOM 149 CB TYR A 10 -4.420 -5.524 -0.779 1.00 0.00 C ATOM 150 CG TYR A 10 -5.431 -6.636 -0.646 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.144 -7.908 -1.155 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.660 -6.392 -0.023 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.085 -8.937 -1.039 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.602 -7.420 0.091 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.315 -8.693 -0.416 1.00 0.00 C ATOM 156 OH TYR A 10 -8.244 -9.707 -0.304 1.00 0.00 O ATOM 0 H TYR A 10 -3.172 -3.333 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.518 -5.756 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.421 -5.896 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.636 -4.733 -0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.196 -8.095 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.881 -5.411 0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.863 -9.919 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.551 -7.231 0.570 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.042 -9.370 0.155 1.00 0.00 H new ATOM 166 N THR A 11 -6.216 -4.064 -3.594 1.00 0.00 N ATOM 167 CA THR A 11 -7.448 -3.274 -3.851 1.00 0.00 C ATOM 168 C THR A 11 -8.610 -3.942 -3.120 1.00 0.00 C ATOM 169 O THR A 11 -9.614 -3.326 -2.827 1.00 0.00 O ATOM 170 CB THR A 11 -7.647 -3.322 -5.372 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.865 -2.304 -5.981 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.124 -3.098 -5.714 1.00 0.00 C ATOM 0 H THR A 11 -5.830 -4.543 -4.407 1.00 0.00 H new ATOM 0 HA THR A 11 -7.384 -2.244 -3.502 1.00 0.00 H new ATOM 0 HB THR A 11 -7.337 -4.299 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.502 -1.713 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.257 -3.134 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.727 -3.877 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.440 -2.124 -5.342 1.00 0.00 H new ATOM 180 N GLY A 12 -8.476 -5.209 -2.833 1.00 0.00 N ATOM 181 CA GLY A 12 -9.571 -5.932 -2.124 1.00 0.00 C ATOM 182 C GLY A 12 -10.848 -5.871 -2.966 1.00 0.00 C ATOM 183 O GLY A 12 -10.903 -5.178 -3.962 1.00 0.00 O ATOM 0 H GLY A 12 -7.657 -5.774 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.285 -6.970 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.745 -5.483 -1.146 1.00 0.00 H new ATOM 187 N PRO A 13 -11.838 -6.609 -2.536 1.00 0.00 N ATOM 188 CA PRO A 13 -13.128 -6.646 -3.260 1.00 0.00 C ATOM 189 C PRO A 13 -13.977 -5.421 -2.899 1.00 0.00 C ATOM 190 O PRO A 13 -13.839 -4.365 -3.486 1.00 0.00 O ATOM 191 CB PRO A 13 -13.777 -7.931 -2.757 1.00 0.00 C ATOM 192 CG PRO A 13 -13.176 -8.180 -1.405 1.00 0.00 C ATOM 193 CD PRO A 13 -11.843 -7.470 -1.350 1.00 0.00 C ATOM 0 HA PRO A 13 -13.018 -6.627 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.860 -7.824 -2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.579 -8.762 -3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.837 -7.812 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.046 -9.249 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.741 -6.886 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.015 -8.178 -1.370 1.00 0.00 H new ATOM 201 N CYS A 14 -14.853 -5.550 -1.936 1.00 0.00 N ATOM 202 CA CYS A 14 -15.706 -4.391 -1.536 1.00 0.00 C ATOM 203 C CYS A 14 -16.195 -3.632 -2.771 1.00 0.00 C ATOM 204 O CYS A 14 -16.131 -4.123 -3.881 1.00 0.00 O ATOM 205 CB CYS A 14 -14.792 -3.503 -0.694 1.00 0.00 C ATOM 206 SG CYS A 14 -15.022 -3.892 1.058 1.00 0.00 S ATOM 0 H CYS A 14 -15.015 -6.408 -1.409 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.594 -4.706 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.752 -3.660 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.018 -2.453 -0.877 1.00 0.00 H new ATOM 211 N LYS A 15 -16.684 -2.437 -2.585 1.00 0.00 N ATOM 212 CA LYS A 15 -17.174 -1.641 -3.746 1.00 0.00 C ATOM 213 C LYS A 15 -16.655 -0.203 -3.658 1.00 0.00 C ATOM 214 O LYS A 15 -17.256 0.719 -4.172 1.00 0.00 O ATOM 215 CB LYS A 15 -18.700 -1.667 -3.634 1.00 0.00 C ATOM 216 CG LYS A 15 -19.313 -0.937 -4.832 1.00 0.00 C ATOM 217 CD LYS A 15 -20.354 0.072 -4.342 1.00 0.00 C ATOM 218 CE LYS A 15 -21.041 0.724 -5.545 1.00 0.00 C ATOM 219 NZ LYS A 15 -20.675 2.166 -5.461 1.00 0.00 N ATOM 0 H LYS A 15 -16.766 -1.977 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.829 -2.047 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.055 -2.697 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.015 -1.192 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.533 -0.425 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.778 -1.654 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.093 -0.427 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.876 0.834 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.699 0.284 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.122 0.588 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.109 2.681 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.019 2.560 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.641 2.265 -5.509 1.00 0.00 H new ATOM 233 N ALA A 16 -15.539 -0.003 -3.009 1.00 0.00 N ATOM 234 CA ALA A 16 -14.984 1.376 -2.892 1.00 0.00 C ATOM 235 C ALA A 16 -13.713 1.507 -3.736 1.00 0.00 C ATOM 236 O ALA A 16 -13.229 0.546 -4.299 1.00 0.00 O ATOM 237 CB ALA A 16 -14.663 1.554 -1.408 1.00 0.00 C ATOM 0 H ALA A 16 -14.989 -0.733 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.683 2.132 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.249 2.549 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.575 1.438 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.936 0.802 -1.100 1.00 0.00 H new ATOM 243 N ARG A 17 -13.169 2.689 -3.824 1.00 0.00 N ATOM 244 CA ARG A 17 -11.929 2.882 -4.628 1.00 0.00 C ATOM 245 C ARG A 17 -11.138 4.081 -4.097 1.00 0.00 C ATOM 246 O ARG A 17 -11.105 5.134 -4.703 1.00 0.00 O ATOM 247 CB ARG A 17 -12.412 3.144 -6.054 1.00 0.00 C ATOM 248 CG ARG A 17 -13.371 4.336 -6.058 1.00 0.00 C ATOM 249 CD ARG A 17 -13.191 5.130 -7.354 1.00 0.00 C ATOM 250 NE ARG A 17 -14.019 4.413 -8.362 1.00 0.00 N ATOM 251 CZ ARG A 17 -14.071 4.846 -9.592 1.00 0.00 C ATOM 252 NH1 ARG A 17 -12.993 4.846 -10.328 1.00 0.00 N ATOM 253 NH2 ARG A 17 -15.199 5.281 -10.083 1.00 0.00 N ATOM 0 H ARG A 17 -13.529 3.530 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.267 2.017 -4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.562 3.346 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.913 2.260 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.401 3.989 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.177 4.976 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.521 6.162 -7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.144 5.163 -7.655 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.546 3.583 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.112 4.508 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.032 5.184 -11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.040 5.283 -9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.240 5.620 -11.044 1.00 0.00 H new ATOM 267 N ILE A 18 -10.502 3.929 -2.968 1.00 0.00 N ATOM 268 CA ILE A 18 -9.714 5.057 -2.393 1.00 0.00 C ATOM 269 C ILE A 18 -8.268 5.007 -2.899 1.00 0.00 C ATOM 270 O ILE A 18 -7.825 4.016 -3.444 1.00 0.00 O ATOM 271 CB ILE A 18 -9.777 4.846 -0.880 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.238 4.896 -0.429 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.988 5.950 -0.174 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.552 3.679 0.443 1.00 0.00 C ATOM 0 H ILE A 18 -10.494 3.070 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.107 6.032 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.345 3.878 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.425 5.813 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.896 4.912 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.034 5.798 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.948 5.920 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.418 6.920 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.594 3.719 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.383 2.767 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.904 3.682 1.319 1.00 0.00 H new ATOM 286 N ILE A 19 -7.533 6.074 -2.729 1.00 0.00 N ATOM 287 CA ILE A 19 -6.121 6.095 -3.207 1.00 0.00 C ATOM 288 C ILE A 19 -5.155 5.909 -2.036 1.00 0.00 C ATOM 289 O ILE A 19 -4.762 6.856 -1.384 1.00 0.00 O ATOM 290 CB ILE A 19 -5.941 7.477 -3.834 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.917 7.634 -5.000 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.506 7.627 -4.343 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.794 6.429 -5.935 1.00 0.00 C ATOM 0 H ILE A 19 -7.851 6.933 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.914 5.291 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.139 8.245 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.937 7.714 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.704 8.554 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.380 8.613 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.811 7.514 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.303 6.861 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.490 6.541 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.776 6.369 -6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.028 5.517 -5.386 1.00 0.00 H new ATOM 305 N ARG A 20 -4.767 4.695 -1.769 1.00 0.00 N ATOM 306 CA ARG A 20 -3.821 4.443 -0.645 1.00 0.00 C ATOM 307 C ARG A 20 -2.383 4.401 -1.169 1.00 0.00 C ATOM 308 O ARG A 20 -2.137 4.574 -2.346 1.00 0.00 O ATOM 309 CB ARG A 20 -4.232 3.085 -0.080 1.00 0.00 C ATOM 310 CG ARG A 20 -5.568 3.223 0.651 1.00 0.00 C ATOM 311 CD ARG A 20 -5.319 3.727 2.074 1.00 0.00 C ATOM 312 NE ARG A 20 -6.619 4.314 2.507 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.178 3.912 3.616 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.451 3.714 4.680 1.00 0.00 N ATOM 315 NH2 ARG A 20 -8.467 3.710 3.659 1.00 0.00 N ATOM 0 H ARG A 20 -5.064 3.864 -2.281 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.858 5.224 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.319 2.355 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.467 2.716 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.218 3.916 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.081 2.262 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.014 2.914 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.523 4.471 2.096 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.071 5.029 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.444 3.873 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.889 3.400 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.036 3.866 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.905 3.396 4.525 1.00 0.00 H new ATOM 329 N TYR A 21 -1.427 4.176 -0.309 1.00 0.00 N ATOM 330 CA TYR A 21 -0.010 4.134 -0.775 1.00 0.00 C ATOM 331 C TYR A 21 0.602 2.751 -0.549 1.00 0.00 C ATOM 332 O TYR A 21 0.304 2.075 0.417 1.00 0.00 O ATOM 333 CB TYR A 21 0.724 5.168 0.078 1.00 0.00 C ATOM 334 CG TYR A 21 0.359 6.560 -0.370 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.747 7.207 0.191 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.136 7.209 -1.336 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.081 8.505 -0.217 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.806 8.508 -1.743 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.302 9.156 -1.184 1.00 0.00 C ATOM 340 OH TYR A 21 -0.629 10.435 -1.584 1.00 0.00 O ATOM 0 H TYR A 21 -1.563 4.020 0.690 1.00 0.00 H new ATOM 0 HA TYR A 21 0.062 4.343 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.464 5.035 1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.801 5.021 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.344 6.706 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.990 6.708 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.937 9.003 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.406 9.010 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 21 0.012 10.741 -2.259 1.00 0.00 H new ATOM 350 N PHE A 22 1.475 2.339 -1.428 1.00 0.00 N ATOM 351 CA PHE A 22 2.135 1.013 -1.268 1.00 0.00 C ATOM 352 C PHE A 22 3.573 1.092 -1.789 1.00 0.00 C ATOM 353 O PHE A 22 3.936 2.007 -2.497 1.00 0.00 O ATOM 354 CB PHE A 22 1.288 0.036 -2.090 1.00 0.00 C ATOM 355 CG PHE A 22 1.696 0.072 -3.545 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.097 0.987 -4.422 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.671 -0.816 -4.018 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.474 1.014 -5.770 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.047 -0.790 -5.367 1.00 0.00 C ATOM 360 CZ PHE A 22 2.449 0.125 -6.242 1.00 0.00 C ATOM 0 H PHE A 22 1.760 2.866 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 22 2.195 0.692 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.406 -0.974 -1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.233 0.293 -1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.345 1.671 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.133 -1.521 -3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.014 1.720 -6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.798 -1.475 -5.732 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.740 0.146 -7.282 1.00 0.00 H new ATOM 370 N TYR A 23 4.395 0.148 -1.435 1.00 0.00 N ATOM 371 CA TYR A 23 5.815 0.185 -1.902 1.00 0.00 C ATOM 372 C TYR A 23 5.979 -0.601 -3.206 1.00 0.00 C ATOM 373 O TYR A 23 5.653 -1.769 -3.282 1.00 0.00 O ATOM 374 CB TYR A 23 6.619 -0.476 -0.779 1.00 0.00 C ATOM 375 CG TYR A 23 8.088 -0.445 -1.132 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.812 0.748 -1.017 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.726 -1.610 -1.577 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.173 0.777 -1.346 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.087 -1.583 -1.906 1.00 0.00 C ATOM 380 CZ TYR A 23 10.810 -0.388 -1.791 1.00 0.00 C ATOM 381 OH TYR A 23 12.151 -0.359 -2.116 1.00 0.00 O ATOM 0 H TYR A 23 4.151 -0.647 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 23 6.148 1.203 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.448 0.046 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.289 -1.505 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.320 1.647 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.168 -2.530 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.731 1.697 -1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.579 -2.482 -2.248 1.00 0.00 H new ATOM 0 HH TYR A 23 12.425 0.565 -2.292 1.00 0.00 H new ATOM 391 N ASN A 24 6.495 0.025 -4.230 1.00 0.00 N ATOM 392 CA ASN A 24 6.692 -0.694 -5.522 1.00 0.00 C ATOM 393 C ASN A 24 8.131 -1.199 -5.623 1.00 0.00 C ATOM 394 O ASN A 24 9.025 -0.473 -6.009 1.00 0.00 O ATOM 395 CB ASN A 24 6.426 0.346 -6.609 1.00 0.00 C ATOM 396 CG ASN A 24 6.581 -0.310 -7.983 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.079 -1.413 -8.087 1.00 0.00 O ATOM 398 ND2 ASN A 24 6.173 0.325 -9.049 1.00 0.00 N ATOM 0 H ASN A 24 6.788 1.002 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 24 6.033 -1.557 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.422 0.755 -6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.122 1.179 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.273 -0.105 -9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.755 1.251 -8.962 1.00 0.00 H new ATOM 405 N ALA A 25 8.367 -2.435 -5.281 1.00 0.00 N ATOM 406 CA ALA A 25 9.756 -2.965 -5.365 1.00 0.00 C ATOM 407 C ALA A 25 10.369 -2.599 -6.718 1.00 0.00 C ATOM 408 O ALA A 25 11.544 -2.304 -6.817 1.00 0.00 O ATOM 409 CB ALA A 25 9.619 -4.479 -5.219 1.00 0.00 C ATOM 0 H ALA A 25 7.665 -3.096 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 25 10.408 -2.549 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.605 -4.940 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.160 -4.712 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.994 -4.867 -6.023 1.00 0.00 H new ATOM 415 N LYS A 26 9.582 -2.606 -7.758 1.00 0.00 N ATOM 416 CA LYS A 26 10.123 -2.249 -9.100 1.00 0.00 C ATOM 417 C LYS A 26 10.484 -0.762 -9.134 1.00 0.00 C ATOM 418 O LYS A 26 11.330 -0.337 -9.895 1.00 0.00 O ATOM 419 CB LYS A 26 8.992 -2.550 -10.085 1.00 0.00 C ATOM 420 CG LYS A 26 9.445 -2.198 -11.505 1.00 0.00 C ATOM 421 CD LYS A 26 8.283 -1.564 -12.271 1.00 0.00 C ATOM 422 CE LYS A 26 7.743 -2.564 -13.296 1.00 0.00 C ATOM 423 NZ LYS A 26 6.326 -2.789 -12.900 1.00 0.00 N ATOM 0 H LYS A 26 8.590 -2.843 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 26 11.027 -2.807 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.718 -3.604 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.104 -1.975 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.289 -1.509 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.788 -3.095 -12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.493 -1.273 -11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.617 -0.656 -12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.812 -2.168 -14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.311 -3.494 -13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.885 -3.465 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.292 -3.172 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.809 -1.887 -12.933 1.00 0.00 H new ATOM 437 N ALA A 27 9.851 0.033 -8.312 1.00 0.00 N ATOM 438 CA ALA A 27 10.168 1.490 -8.302 1.00 0.00 C ATOM 439 C ALA A 27 11.175 1.799 -7.193 1.00 0.00 C ATOM 440 O ALA A 27 11.907 2.765 -7.258 1.00 0.00 O ATOM 441 CB ALA A 27 8.836 2.191 -8.030 1.00 0.00 C ATOM 0 H ALA A 27 9.132 -0.262 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 27 10.613 1.822 -9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.990 3.270 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.126 1.942 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.441 1.861 -7.069 1.00 0.00 H new ATOM 447 N GLY A 28 11.219 0.984 -6.175 1.00 0.00 N ATOM 448 CA GLY A 28 12.181 1.229 -5.064 1.00 0.00 C ATOM 449 C GLY A 28 11.557 2.183 -4.041 1.00 0.00 C ATOM 450 O GLY A 28 12.095 2.398 -2.972 1.00 0.00 O ATOM 0 H GLY A 28 10.630 0.159 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.444 0.287 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.104 1.655 -5.457 1.00 0.00 H new ATOM 454 N LEU A 29 10.426 2.752 -4.356 1.00 0.00 N ATOM 455 CA LEU A 29 9.769 3.684 -3.403 1.00 0.00 C ATOM 456 C LEU A 29 8.304 3.287 -3.222 1.00 0.00 C ATOM 457 O LEU A 29 7.956 2.124 -3.265 1.00 0.00 O ATOM 458 CB LEU A 29 9.869 5.068 -4.049 1.00 0.00 C ATOM 459 CG LEU A 29 11.266 5.264 -4.640 1.00 0.00 C ATOM 460 CD1 LEU A 29 11.191 5.206 -6.166 1.00 0.00 C ATOM 461 CD2 LEU A 29 11.810 6.628 -4.211 1.00 0.00 C ATOM 0 H LEU A 29 9.929 2.610 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 29 10.238 3.666 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.116 5.170 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.666 5.841 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 29 11.926 4.475 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.188 5.346 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.801 4.236 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.531 5.995 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.806 6.771 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.147 7.414 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.865 6.672 -3.123 1.00 0.00 H new ATOM 473 N CYS A 30 7.449 4.247 -3.025 1.00 0.00 N ATOM 474 CA CYS A 30 6.006 3.931 -2.837 1.00 0.00 C ATOM 475 C CYS A 30 5.152 4.672 -3.864 1.00 0.00 C ATOM 476 O CYS A 30 5.486 5.752 -4.309 1.00 0.00 O ATOM 477 CB CYS A 30 5.673 4.415 -1.426 1.00 0.00 C ATOM 478 SG CYS A 30 6.769 3.606 -0.235 1.00 0.00 S ATOM 0 H CYS A 30 7.685 5.238 -2.986 1.00 0.00 H new ATOM 0 HA CYS A 30 5.805 2.868 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.788 5.497 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.633 4.191 -1.189 1.00 0.00 H new ATOM 483 N GLN A 31 4.044 4.096 -4.233 1.00 0.00 N ATOM 484 CA GLN A 31 3.147 4.756 -5.219 1.00 0.00 C ATOM 485 C GLN A 31 1.697 4.606 -4.759 1.00 0.00 C ATOM 486 O GLN A 31 1.383 3.764 -3.941 1.00 0.00 O ATOM 487 CB GLN A 31 3.384 4.012 -6.534 1.00 0.00 C ATOM 488 CG GLN A 31 4.703 4.483 -7.150 1.00 0.00 C ATOM 489 CD GLN A 31 5.331 3.340 -7.951 1.00 0.00 C ATOM 490 OE1 GLN A 31 4.818 2.238 -7.965 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.427 3.558 -8.625 1.00 0.00 N ATOM 0 H GLN A 31 3.719 3.191 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 31 3.345 5.822 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.415 2.937 -6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.560 4.197 -7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.527 5.342 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.386 4.810 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.858 4.483 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.853 2.804 -9.164 1.00 0.00 H new ATOM 500 N THR A 32 0.812 5.416 -5.262 1.00 0.00 N ATOM 501 CA THR A 32 -0.609 5.308 -4.834 1.00 0.00 C ATOM 502 C THR A 32 -1.323 4.214 -5.626 1.00 0.00 C ATOM 503 O THR A 32 -1.070 4.012 -6.797 1.00 0.00 O ATOM 504 CB THR A 32 -1.216 6.680 -5.130 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.977 7.016 -6.491 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.571 7.730 -4.225 1.00 0.00 C ATOM 0 H THR A 32 1.008 6.145 -5.948 1.00 0.00 H new ATOM 0 HA THR A 32 -0.704 5.041 -3.782 1.00 0.00 H new ATOM 0 HB THR A 32 -2.290 6.652 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.366 7.894 -6.684 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.004 8.708 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.751 7.471 -3.182 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.503 7.761 -4.411 1.00 0.00 H new ATOM 514 N PHE A 33 -2.220 3.511 -4.993 1.00 0.00 N ATOM 515 CA PHE A 33 -2.967 2.430 -5.703 1.00 0.00 C ATOM 516 C PHE A 33 -4.431 2.431 -5.258 1.00 0.00 C ATOM 517 O PHE A 33 -4.793 3.058 -4.283 1.00 0.00 O ATOM 518 CB PHE A 33 -2.265 1.121 -5.312 1.00 0.00 C ATOM 519 CG PHE A 33 -2.718 0.659 -3.942 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.097 1.158 -2.789 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.752 -0.281 -3.826 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.511 0.723 -1.525 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.164 -0.717 -2.560 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.544 -0.214 -1.410 1.00 0.00 C ATOM 0 H PHE A 33 -2.470 3.637 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.967 2.565 -6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.483 0.351 -6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.185 1.267 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.298 1.879 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.231 -0.669 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.033 1.111 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.960 -1.441 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.863 -0.549 -0.434 1.00 0.00 H new ATOM 534 N VAL A 34 -5.278 1.743 -5.971 1.00 0.00 N ATOM 535 CA VAL A 34 -6.720 1.715 -5.590 1.00 0.00 C ATOM 536 C VAL A 34 -6.923 0.818 -4.368 1.00 0.00 C ATOM 537 O VAL A 34 -6.403 -0.278 -4.295 1.00 0.00 O ATOM 538 CB VAL A 34 -7.443 1.146 -6.811 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.939 1.447 -6.702 1.00 0.00 C ATOM 540 CG2 VAL A 34 -6.889 1.796 -8.082 1.00 0.00 C ATOM 0 H VAL A 34 -5.036 1.199 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.099 2.701 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.288 0.068 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.456 1.042 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.337 0.988 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.091 2.526 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.404 1.390 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.045 2.874 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.822 1.587 -8.162 1.00 0.00 H new ATOM 550 N TYR A 35 -7.671 1.278 -3.399 1.00 0.00 N ATOM 551 CA TYR A 35 -7.899 0.458 -2.171 1.00 0.00 C ATOM 552 C TYR A 35 -9.369 0.024 -2.085 1.00 0.00 C ATOM 553 O TYR A 35 -10.260 0.731 -2.513 1.00 0.00 O ATOM 554 CB TYR A 35 -7.543 1.396 -1.014 1.00 0.00 C ATOM 555 CG TYR A 35 -7.813 0.712 0.305 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.614 -0.669 0.436 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.258 1.462 1.402 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.860 -1.298 1.662 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.504 0.831 2.626 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.305 -0.547 2.757 1.00 0.00 C ATOM 561 OH TYR A 35 -8.551 -1.167 3.964 1.00 0.00 O ATOM 0 H TYR A 35 -8.134 2.187 -3.405 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.304 -0.455 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.493 1.682 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.128 2.313 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.271 -1.248 -0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.411 2.526 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.707 -2.362 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.848 1.409 3.471 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.852 -0.502 4.618 1.00 0.00 H new ATOM 571 N GLY A 36 -9.630 -1.139 -1.542 1.00 0.00 N ATOM 572 CA GLY A 36 -11.040 -1.623 -1.436 1.00 0.00 C ATOM 573 C GLY A 36 -11.678 -1.111 -0.142 1.00 0.00 C ATOM 574 O GLY A 36 -12.848 -1.324 0.103 1.00 0.00 O ATOM 0 H GLY A 36 -8.926 -1.775 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.616 -1.279 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.061 -2.713 -1.454 1.00 0.00 H new ATOM 578 N ALA A 37 -10.920 -0.436 0.683 1.00 0.00 N ATOM 579 CA ALA A 37 -11.478 0.100 1.966 1.00 0.00 C ATOM 580 C ALA A 37 -11.682 -1.022 2.991 1.00 0.00 C ATOM 581 O ALA A 37 -12.046 -0.772 4.123 1.00 0.00 O ATOM 582 CB ALA A 37 -12.820 0.738 1.598 1.00 0.00 C ATOM 0 H ALA A 37 -9.934 -0.231 0.525 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.798 0.818 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.284 1.151 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.657 1.535 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.476 -0.018 1.165 1.00 0.00 H new ATOM 588 N CYS A 38 -11.450 -2.252 2.617 1.00 0.00 N ATOM 589 CA CYS A 38 -11.635 -3.368 3.591 1.00 0.00 C ATOM 590 C CYS A 38 -10.620 -4.484 3.325 1.00 0.00 C ATOM 591 O CYS A 38 -9.926 -4.481 2.328 1.00 0.00 O ATOM 592 CB CYS A 38 -13.057 -3.876 3.356 1.00 0.00 C ATOM 593 SG CYS A 38 -13.199 -4.511 1.668 1.00 0.00 S ATOM 0 H CYS A 38 -11.142 -2.532 1.686 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.484 -3.039 4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.297 -4.661 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.773 -3.070 3.514 1.00 0.00 H new ATOM 598 N ARG A 39 -10.529 -5.439 4.212 1.00 0.00 N ATOM 599 CA ARG A 39 -9.560 -6.555 4.010 1.00 0.00 C ATOM 600 C ARG A 39 -8.225 -6.002 3.506 1.00 0.00 C ATOM 601 O ARG A 39 -7.691 -6.448 2.510 1.00 0.00 O ATOM 602 CB ARG A 39 -10.207 -7.450 2.952 1.00 0.00 C ATOM 603 CG ARG A 39 -10.004 -8.917 3.333 1.00 0.00 C ATOM 604 CD ARG A 39 -11.144 -9.758 2.753 1.00 0.00 C ATOM 605 NE ARG A 39 -10.573 -11.124 2.602 1.00 0.00 N ATOM 606 CZ ARG A 39 -11.366 -12.154 2.489 1.00 0.00 C ATOM 607 NH1 ARG A 39 -12.634 -11.976 2.237 1.00 0.00 N ATOM 608 NH2 ARG A 39 -10.890 -13.360 2.628 1.00 0.00 N ATOM 0 H ARG A 39 -11.083 -5.494 5.067 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.352 -7.100 4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.271 -7.227 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.767 -7.253 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.046 -9.273 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.976 -9.022 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.009 -9.762 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.479 -9.362 1.795 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.562 -11.255 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.005 -11.032 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.254 -12.781 2.149 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.899 -13.497 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.509 -14.166 2.540 1.00 0.00 H new ATOM 622 N ALA A 40 -7.687 -5.028 4.187 1.00 0.00 N ATOM 623 CA ALA A 40 -6.392 -4.432 3.751 1.00 0.00 C ATOM 624 C ALA A 40 -5.217 -5.078 4.490 1.00 0.00 C ATOM 625 O ALA A 40 -5.370 -5.636 5.558 1.00 0.00 O ATOM 626 CB ALA A 40 -6.501 -2.953 4.122 1.00 0.00 C ATOM 0 H ALA A 40 -8.090 -4.618 5.030 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.212 -4.584 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.585 -2.437 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.348 -2.508 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.648 -2.858 5.198 1.00 0.00 H new ATOM 632 N LYS A 41 -4.043 -4.997 3.925 1.00 0.00 N ATOM 633 CA LYS A 41 -2.847 -5.592 4.586 1.00 0.00 C ATOM 634 C LYS A 41 -1.830 -4.486 4.886 1.00 0.00 C ATOM 635 O LYS A 41 -2.164 -3.319 4.903 1.00 0.00 O ATOM 636 CB LYS A 41 -2.283 -6.587 3.573 1.00 0.00 C ATOM 637 CG LYS A 41 -3.367 -7.596 3.190 1.00 0.00 C ATOM 638 CD LYS A 41 -3.251 -7.929 1.702 1.00 0.00 C ATOM 639 CE LYS A 41 -3.492 -9.425 1.494 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.964 -9.598 1.633 1.00 0.00 N ATOM 0 H LYS A 41 -3.860 -4.542 3.030 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.086 -6.080 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.933 -6.060 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.423 -7.105 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.262 -8.503 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.353 -7.186 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.977 -7.350 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.263 -7.654 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.147 -9.748 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.953 -10.019 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.215 -10.591 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.255 -9.336 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.452 -8.988 0.947 1.00 0.00 H new ATOM 654 N ARG A 42 -0.594 -4.835 5.117 1.00 0.00 N ATOM 655 CA ARG A 42 0.424 -3.785 5.411 1.00 0.00 C ATOM 656 C ARG A 42 0.801 -3.035 4.129 1.00 0.00 C ATOM 657 O ARG A 42 1.250 -1.907 4.172 1.00 0.00 O ATOM 658 CB ARG A 42 1.634 -4.536 5.970 1.00 0.00 C ATOM 659 CG ARG A 42 1.204 -5.373 7.177 1.00 0.00 C ATOM 660 CD ARG A 42 1.794 -6.778 7.053 1.00 0.00 C ATOM 661 NE ARG A 42 2.779 -6.887 8.162 1.00 0.00 N ATOM 662 CZ ARG A 42 2.370 -6.939 9.401 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.303 -7.625 9.709 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.031 -6.308 10.333 1.00 0.00 N ATOM 0 H ARG A 42 -0.246 -5.794 5.115 1.00 0.00 H new ATOM 0 HA ARG A 42 0.050 -3.042 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.062 -5.180 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.410 -3.829 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.544 -4.903 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.117 -5.426 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.019 -7.539 7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.274 -6.919 6.085 1.00 0.00 H new ATOM 0 HE ARG A 42 3.777 -6.921 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.788 -8.121 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.984 -7.665 10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.867 -5.775 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.712 -6.348 11.301 1.00 0.00 H new ATOM 678 N ASN A 43 0.623 -3.646 2.988 1.00 0.00 N ATOM 679 CA ASN A 43 0.973 -2.950 1.716 1.00 0.00 C ATOM 680 C ASN A 43 -0.150 -1.985 1.323 1.00 0.00 C ATOM 681 O ASN A 43 -0.680 -2.034 0.232 1.00 0.00 O ATOM 682 CB ASN A 43 1.117 -4.059 0.673 1.00 0.00 C ATOM 683 CG ASN A 43 2.124 -3.622 -0.393 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.744 -3.168 -1.454 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.402 -3.739 -0.153 1.00 0.00 N ATOM 0 H ASN A 43 0.253 -4.591 2.882 1.00 0.00 H new ATOM 0 HA ASN A 43 1.887 -2.362 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.451 -4.981 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.151 -4.269 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.082 -3.449 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.721 -4.120 0.738 1.00 0.00 H new ATOM 692 N ASN A 44 -0.512 -1.109 2.216 1.00 0.00 N ATOM 693 CA ASN A 44 -1.597 -0.127 1.928 1.00 0.00 C ATOM 694 C ASN A 44 -1.498 1.013 2.943 1.00 0.00 C ATOM 695 O ASN A 44 -2.274 1.103 3.873 1.00 0.00 O ATOM 696 CB ASN A 44 -2.897 -0.916 2.109 1.00 0.00 C ATOM 697 CG ASN A 44 -4.099 0.031 2.060 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.942 1.234 2.092 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.306 -0.469 1.979 1.00 0.00 N ATOM 0 H ASN A 44 -0.098 -1.029 3.145 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.539 0.311 0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.986 -1.670 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.880 -1.446 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.114 0.152 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.438 -1.480 1.952 1.00 0.00 H new ATOM 706 N PHE A 45 -0.527 1.870 2.781 1.00 0.00 N ATOM 707 CA PHE A 45 -0.345 2.988 3.749 1.00 0.00 C ATOM 708 C PHE A 45 -1.226 4.182 3.372 1.00 0.00 C ATOM 709 O PHE A 45 -1.430 4.475 2.211 1.00 0.00 O ATOM 710 CB PHE A 45 1.141 3.346 3.648 1.00 0.00 C ATOM 711 CG PHE A 45 1.965 2.076 3.661 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.311 1.476 4.879 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.377 1.494 2.455 1.00 0.00 C ATOM 714 CE1 PHE A 45 3.067 0.297 4.891 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.133 0.313 2.467 1.00 0.00 C ATOM 716 CZ PHE A 45 3.478 -0.286 3.685 1.00 0.00 C ATOM 0 H PHE A 45 0.149 1.844 2.018 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.632 2.710 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.330 3.906 2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.429 3.988 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.994 1.923 5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.112 1.955 1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.333 -0.163 5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.449 -0.135 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.060 -1.196 3.695 1.00 0.00 H new ATOM 726 N LYS A 46 -1.750 4.867 4.350 1.00 0.00 N ATOM 727 CA LYS A 46 -2.622 6.040 4.060 1.00 0.00 C ATOM 728 C LYS A 46 -1.792 7.177 3.465 1.00 0.00 C ATOM 729 O LYS A 46 -2.298 8.026 2.759 1.00 0.00 O ATOM 730 CB LYS A 46 -3.196 6.453 5.417 1.00 0.00 C ATOM 731 CG LYS A 46 -3.736 5.219 6.143 1.00 0.00 C ATOM 732 CD LYS A 46 -3.110 5.132 7.538 1.00 0.00 C ATOM 733 CE LYS A 46 -3.718 6.210 8.437 1.00 0.00 C ATOM 734 NZ LYS A 46 -3.567 5.682 9.822 1.00 0.00 N ATOM 0 H LYS A 46 -1.612 4.665 5.340 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.406 5.804 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.424 6.933 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.993 7.184 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.822 5.277 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.506 4.319 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.285 4.145 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.030 5.264 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.200 7.162 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.766 6.384 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.961 6.366 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.075 4.779 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.559 5.532 10.028 1.00 0.00 H new ATOM 748 N SER A 47 -0.522 7.202 3.752 1.00 0.00 N ATOM 749 CA SER A 47 0.343 8.290 3.210 1.00 0.00 C ATOM 750 C SER A 47 1.668 7.718 2.697 1.00 0.00 C ATOM 751 O SER A 47 2.098 6.657 3.104 1.00 0.00 O ATOM 752 CB SER A 47 0.585 9.221 4.395 1.00 0.00 C ATOM 753 OG SER A 47 1.329 8.532 5.392 1.00 0.00 O ATOM 0 H SER A 47 -0.044 6.518 4.338 1.00 0.00 H new ATOM 0 HA SER A 47 -0.121 8.805 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.127 10.109 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.366 9.561 4.805 1.00 0.00 H new ATOM 0 HG SER A 47 1.487 9.129 6.153 1.00 0.00 H new ATOM 759 N ALA A 48 2.317 8.419 1.808 1.00 0.00 N ATOM 760 CA ALA A 48 3.615 7.922 1.266 1.00 0.00 C ATOM 761 C ALA A 48 4.668 7.885 2.376 1.00 0.00 C ATOM 762 O ALA A 48 5.637 7.155 2.304 1.00 0.00 O ATOM 763 CB ALA A 48 4.011 8.934 0.188 1.00 0.00 C ATOM 0 H ALA A 48 2.005 9.315 1.433 1.00 0.00 H new ATOM 0 HA ALA A 48 3.535 6.911 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.959 8.637 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.240 8.965 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.116 9.922 0.637 1.00 0.00 H new ATOM 769 N GLU A 49 4.478 8.663 3.406 1.00 0.00 N ATOM 770 CA GLU A 49 5.460 8.671 4.527 1.00 0.00 C ATOM 771 C GLU A 49 5.284 7.409 5.372 1.00 0.00 C ATOM 772 O GLU A 49 6.214 6.923 5.983 1.00 0.00 O ATOM 773 CB GLU A 49 5.126 9.919 5.345 1.00 0.00 C ATOM 774 CG GLU A 49 5.333 11.167 4.484 1.00 0.00 C ATOM 775 CD GLU A 49 4.243 12.192 4.803 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.079 11.852 4.668 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.592 13.300 5.177 1.00 0.00 O ATOM 0 H GLU A 49 3.685 9.294 3.520 1.00 0.00 H new ATOM 0 HA GLU A 49 6.493 8.686 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.094 9.872 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.760 9.966 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.317 11.595 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.301 10.902 3.427 1.00 0.00 H new ATOM 784 N ASP A 50 4.098 6.868 5.398 1.00 0.00 N ATOM 785 CA ASP A 50 3.865 5.628 6.188 1.00 0.00 C ATOM 786 C ASP A 50 4.520 4.453 5.468 1.00 0.00 C ATOM 787 O ASP A 50 5.060 3.552 6.078 1.00 0.00 O ATOM 788 CB ASP A 50 2.347 5.456 6.233 1.00 0.00 C ATOM 789 CG ASP A 50 2.009 4.056 6.747 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.906 3.398 7.250 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.860 3.663 6.629 1.00 0.00 O ATOM 0 H ASP A 50 3.281 7.231 4.907 1.00 0.00 H new ATOM 0 HA ASP A 50 4.285 5.679 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.904 6.211 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.924 5.602 5.239 1.00 0.00 H new ATOM 796 N CYS A 51 4.489 4.472 4.165 1.00 0.00 N ATOM 797 CA CYS A 51 5.124 3.375 3.387 1.00 0.00 C ATOM 798 C CYS A 51 6.643 3.499 3.501 1.00 0.00 C ATOM 799 O CYS A 51 7.344 2.532 3.728 1.00 0.00 O ATOM 800 CB CYS A 51 4.669 3.596 1.945 1.00 0.00 C ATOM 801 SG CYS A 51 5.534 2.438 0.856 1.00 0.00 S ATOM 0 H CYS A 51 4.050 5.202 3.605 1.00 0.00 H new ATOM 0 HA CYS A 51 4.847 2.383 3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.592 3.451 1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.876 4.622 1.640 1.00 0.00 H new ATOM 806 N MET A 52 7.153 4.694 3.363 1.00 0.00 N ATOM 807 CA MET A 52 8.625 4.897 3.481 1.00 0.00 C ATOM 808 C MET A 52 9.059 4.639 4.924 1.00 0.00 C ATOM 809 O MET A 52 9.936 3.843 5.188 1.00 0.00 O ATOM 810 CB MET A 52 8.856 6.361 3.109 1.00 0.00 C ATOM 811 CG MET A 52 9.231 6.462 1.631 1.00 0.00 C ATOM 812 SD MET A 52 11.003 6.147 1.439 1.00 0.00 S ATOM 813 CE MET A 52 10.862 4.764 0.282 1.00 0.00 C ATOM 0 H MET A 52 6.613 5.538 3.174 1.00 0.00 H new ATOM 0 HA MET A 52 9.195 4.224 2.840 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.956 6.943 3.307 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.650 6.782 3.726 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.657 5.741 1.049 1.00 0.00 H new ATOM 0 HG3 MET A 52 8.983 7.452 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.850 4.508 -0.101 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.437 3.902 0.796 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.214 5.048 -0.547 1.00 0.00 H new ATOM 823 N ARG A 53 8.438 5.302 5.861 1.00 0.00 N ATOM 824 CA ARG A 53 8.803 5.087 7.288 1.00 0.00 C ATOM 825 C ARG A 53 8.732 3.593 7.610 1.00 0.00 C ATOM 826 O ARG A 53 9.354 3.114 8.538 1.00 0.00 O ATOM 827 CB ARG A 53 7.752 5.866 8.082 1.00 0.00 C ATOM 828 CG ARG A 53 7.735 5.377 9.530 1.00 0.00 C ATOM 829 CD ARG A 53 6.517 4.477 9.747 1.00 0.00 C ATOM 830 NE ARG A 53 5.512 5.346 10.417 1.00 0.00 N ATOM 831 CZ ARG A 53 4.393 4.833 10.851 1.00 0.00 C ATOM 832 NH1 ARG A 53 3.629 4.155 10.039 1.00 0.00 N ATOM 833 NH2 ARG A 53 4.043 4.995 12.098 1.00 0.00 N ATOM 0 H ARG A 53 7.695 5.982 5.700 1.00 0.00 H new ATOM 0 HA ARG A 53 9.813 5.421 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.975 6.932 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.769 5.733 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.651 4.828 9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.700 6.226 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.137 4.091 8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.768 3.615 10.365 1.00 0.00 H new ATOM 0 HE ARG A 53 5.697 6.342 10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.906 4.026 9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.754 3.754 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.644 5.522 12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.169 4.595 12.438 1.00 0.00 H new ATOM 847 N THR A 54 7.982 2.852 6.839 1.00 0.00 N ATOM 848 CA THR A 54 7.873 1.385 7.083 1.00 0.00 C ATOM 849 C THR A 54 8.854 0.637 6.179 1.00 0.00 C ATOM 850 O THR A 54 9.466 -0.335 6.575 1.00 0.00 O ATOM 851 CB THR A 54 6.427 1.021 6.723 1.00 0.00 C ATOM 852 OG1 THR A 54 5.563 1.401 7.786 1.00 0.00 O ATOM 853 CG2 THR A 54 6.323 -0.486 6.495 1.00 0.00 C ATOM 0 H THR A 54 7.439 3.201 6.049 1.00 0.00 H new ATOM 0 HA THR A 54 8.110 1.117 8.113 1.00 0.00 H new ATOM 0 HB THR A 54 6.136 1.547 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.117 2.244 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.296 -0.745 6.239 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.985 -0.777 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.614 -1.012 7.404 1.00 0.00 H new ATOM 861 N CYS A 55 8.996 1.076 4.959 1.00 0.00 N ATOM 862 CA CYS A 55 9.924 0.385 4.022 1.00 0.00 C ATOM 863 C CYS A 55 10.824 1.393 3.300 1.00 0.00 C ATOM 864 O CYS A 55 10.998 1.331 2.099 1.00 0.00 O ATOM 865 CB CYS A 55 9.007 -0.311 3.023 1.00 0.00 C ATOM 866 SG CYS A 55 9.805 -1.811 2.414 1.00 0.00 S ATOM 0 H CYS A 55 8.509 1.884 4.571 1.00 0.00 H new ATOM 0 HA CYS A 55 10.588 -0.308 4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.057 -0.559 3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.784 0.358 2.192 1.00 0.00 H new ATOM 871 N GLY A 56 11.399 2.318 4.016 1.00 0.00 N ATOM 872 CA GLY A 56 12.285 3.320 3.359 1.00 0.00 C ATOM 873 C GLY A 56 13.744 3.015 3.707 1.00 0.00 C ATOM 874 O GLY A 56 14.034 2.356 4.686 1.00 0.00 O ATOM 0 H GLY A 56 11.295 2.424 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.144 3.293 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.023 4.325 3.690 1.00 0.00 H new ATOM 878 N GLY A 57 14.666 3.486 2.910 1.00 0.00 N ATOM 879 CA GLY A 57 16.105 3.219 3.195 1.00 0.00 C ATOM 880 C GLY A 57 16.578 2.032 2.351 1.00 0.00 C ATOM 881 O GLY A 57 16.198 0.902 2.584 1.00 0.00 O ATOM 0 H GLY A 57 14.485 4.043 2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.702 4.102 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.244 3.004 4.255 1.00 0.00 H new ATOM 885 N ALA A 58 17.404 2.280 1.371 1.00 0.00 N ATOM 886 CA ALA A 58 17.897 1.165 0.512 1.00 0.00 C ATOM 887 C ALA A 58 19.304 1.477 -0.005 1.00 0.00 C ATOM 888 O ALA A 58 19.947 0.567 -0.502 1.00 0.00 O ATOM 889 CB ALA A 58 16.904 1.093 -0.649 1.00 0.00 C ATOM 890 OXT ALA A 58 19.715 2.620 0.109 1.00 0.00 O ATOM 0 H ALA A 58 17.758 3.205 1.128 1.00 0.00 H new ATOM 0 HA ALA A 58 17.960 0.222 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.197 0.294 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.905 0.891 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.901 2.042 -1.184 1.00 0.00 H new TER 896 ALA A 58