USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.0234 X(o=0.18,f=0.23) USER MOD Set 1.2: A 26 TYR OH : rot -174:sc= 0.152 USER MOD Single : A 1 THR N :NH3+ 149:sc= 0.309 (180deg=-0.103) USER MOD Single : A 1 THR OG1 : rot -78:sc= 0.913 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.646 K(o=-0.65,f=-11!) USER MOD Single : A 13 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.4) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 0.849 (180deg=-1.37!) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.554 USER MOD Single : A 25 SER OG : rot 148:sc= 1.13 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 177:sc= 1.11 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0598 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 51:sc= -0.341 USER MOD Single : A 44 THR OG1 : rot 157:sc= 1.1 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 1.92 (180deg=0.411!) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= -0.293! (180deg=-0.303!) USER MOD Single : A 53 TYR OH : rot 30:sc= 1.02 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 11.029 2.109 9.997 1.00 0.00 N ATOM 2 CA THR A 1 11.418 3.063 8.970 1.00 0.00 C ATOM 3 C THR A 1 10.144 3.835 8.716 1.00 0.00 C ATOM 4 O THR A 1 9.086 3.344 9.090 1.00 0.00 O ATOM 5 CB THR A 1 11.882 2.401 7.647 1.00 0.00 C ATOM 6 OG1 THR A 1 12.018 3.348 6.602 1.00 0.00 O ATOM 7 CG2 THR A 1 11.003 1.214 7.201 1.00 0.00 C ATOM 0 H1 THR A 1 11.587 1.238 9.891 1.00 0.00 H new ATOM 0 H2 THR A 1 11.204 2.519 10.936 1.00 0.00 H new ATOM 0 H3 THR A 1 10.018 1.887 9.899 1.00 0.00 H new ATOM 0 HA THR A 1 12.267 3.662 9.300 1.00 0.00 H new ATOM 0 HB THR A 1 12.866 1.986 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 1 11.133 3.569 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 1 11.391 0.804 6.268 1.00 0.00 H new ATOM 0 HG22 THR A 1 11.017 0.442 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 1 9.979 1.556 7.049 1.00 0.00 H new ATOM 17 N ALA A 2 10.306 4.991 8.052 1.00 0.00 N ATOM 18 CA ALA A 2 9.152 5.732 7.579 1.00 0.00 C ATOM 19 C ALA A 2 8.793 5.072 6.239 1.00 0.00 C ATOM 20 O ALA A 2 9.488 4.161 5.794 1.00 0.00 O ATOM 21 CB ALA A 2 9.508 7.214 7.430 1.00 0.00 C ATOM 0 H ALA A 2 11.209 5.416 7.840 1.00 0.00 H new ATOM 0 HA ALA A 2 8.305 5.703 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.636 7.764 7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.819 7.612 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.322 7.322 6.714 1.00 0.00 H new ATOM 27 N LEU A 3 7.680 5.553 5.660 1.00 0.00 N ATOM 28 CA LEU A 3 7.165 4.995 4.420 1.00 0.00 C ATOM 29 C LEU A 3 7.338 6.056 3.320 1.00 0.00 C ATOM 30 O LEU A 3 7.076 7.234 3.523 1.00 0.00 O ATOM 31 CB LEU A 3 5.678 4.604 4.569 1.00 0.00 C ATOM 32 CG LEU A 3 5.380 3.398 5.494 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.945 2.077 4.972 1.00 0.00 C ATOM 34 CD2 LEU A 3 5.748 3.609 6.968 1.00 0.00 C ATOM 0 H LEU A 3 7.129 6.324 6.037 1.00 0.00 H new ATOM 0 HA LEU A 3 7.713 4.089 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.132 5.469 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.280 4.383 3.578 1.00 0.00 H new ATOM 0 HG LEU A 3 4.293 3.327 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.699 1.276 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.511 1.856 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.028 2.156 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.503 2.712 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.816 3.811 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.187 4.455 7.366 1.00 0.00 H new ATOM 46 N PHE A 4 7.820 5.549 2.172 1.00 0.00 N ATOM 47 CA PHE A 4 8.125 6.302 0.959 1.00 0.00 C ATOM 48 C PHE A 4 7.538 5.420 -0.165 1.00 0.00 C ATOM 49 O PHE A 4 7.085 4.327 0.145 1.00 0.00 O ATOM 50 CB PHE A 4 9.670 6.431 0.886 1.00 0.00 C ATOM 51 CG PHE A 4 10.273 7.031 2.129 1.00 0.00 C ATOM 52 CD1 PHE A 4 10.173 8.397 2.370 1.00 0.00 C ATOM 53 CD2 PHE A 4 10.951 6.231 3.047 1.00 0.00 C ATOM 54 CE1 PHE A 4 10.754 8.960 3.499 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.533 6.790 4.176 1.00 0.00 C ATOM 56 CZ PHE A 4 11.439 8.157 4.400 1.00 0.00 C ATOM 0 H PHE A 4 8.014 4.553 2.067 1.00 0.00 H new ATOM 0 HA PHE A 4 7.716 7.311 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.103 5.445 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.937 7.046 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.639 9.026 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.024 5.167 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.673 10.022 3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.059 6.162 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.898 8.595 5.274 1.00 0.00 H new ATOM 66 N THR A 5 7.572 5.839 -1.454 1.00 0.00 N ATOM 67 CA THR A 5 6.995 4.945 -2.455 1.00 0.00 C ATOM 68 C THR A 5 8.012 3.856 -2.827 1.00 0.00 C ATOM 69 O THR A 5 7.705 2.669 -2.863 1.00 0.00 O ATOM 70 CB THR A 5 6.680 5.769 -3.713 1.00 0.00 C ATOM 71 OG1 THR A 5 7.853 6.523 -4.013 1.00 0.00 O ATOM 72 CG2 THR A 5 5.494 6.725 -3.513 1.00 0.00 C ATOM 0 H THR A 5 7.961 6.718 -1.795 1.00 0.00 H new ATOM 0 HA THR A 5 6.093 4.480 -2.057 1.00 0.00 H new ATOM 0 HB THR A 5 6.400 5.095 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.697 7.065 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.316 7.282 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.603 6.151 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.720 7.422 -2.706 1.00 0.00 H new ATOM 80 N MET A 6 9.225 4.382 -3.079 1.00 0.00 N ATOM 81 CA MET A 6 10.461 3.675 -3.432 1.00 0.00 C ATOM 82 C MET A 6 10.191 2.325 -4.136 1.00 0.00 C ATOM 83 O MET A 6 10.375 1.246 -3.591 1.00 0.00 O ATOM 84 CB MET A 6 11.386 3.558 -2.201 1.00 0.00 C ATOM 85 CG MET A 6 10.678 3.100 -0.920 1.00 0.00 C ATOM 86 SD MET A 6 11.809 2.978 0.476 1.00 0.00 S ATOM 87 CE MET A 6 10.609 2.493 1.731 1.00 0.00 C ATOM 0 H MET A 6 9.373 5.390 -3.037 1.00 0.00 H new ATOM 0 HA MET A 6 10.994 4.270 -4.174 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.188 2.856 -2.429 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.852 4.526 -2.018 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.879 3.801 -0.678 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.210 2.131 -1.092 1.00 0.00 H new ATOM 0 HE1 MET A 6 11.115 2.364 2.688 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.848 3.267 1.825 1.00 0.00 H new ATOM 0 HE3 MET A 6 10.138 1.554 1.440 1.00 0.00 H new ATOM 97 N GLY A 7 9.722 2.497 -5.388 1.00 0.00 N ATOM 98 CA GLY A 7 9.323 1.386 -6.251 1.00 0.00 C ATOM 99 C GLY A 7 7.841 1.562 -6.609 1.00 0.00 C ATOM 100 O GLY A 7 7.394 1.322 -7.722 1.00 0.00 O ATOM 0 H GLY A 7 9.612 3.413 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.932 1.369 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.480 0.435 -5.743 1.00 0.00 H new ATOM 104 N GLY A 8 7.144 2.059 -5.569 1.00 0.00 N ATOM 105 CA GLY A 8 5.732 2.424 -5.590 1.00 0.00 C ATOM 106 C GLY A 8 5.380 3.359 -6.749 1.00 0.00 C ATOM 107 O GLY A 8 6.248 3.956 -7.372 1.00 0.00 O ATOM 0 H GLY A 8 7.575 2.220 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.128 1.519 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.472 2.906 -4.648 1.00 0.00 H new ATOM 111 N ASN A 9 4.056 3.428 -7.005 1.00 0.00 N ATOM 112 CA ASN A 9 3.573 4.184 -8.168 1.00 0.00 C ATOM 113 C ASN A 9 2.720 5.403 -7.776 1.00 0.00 C ATOM 114 O ASN A 9 2.246 6.143 -8.634 1.00 0.00 O ATOM 115 CB ASN A 9 2.793 3.230 -9.109 1.00 0.00 C ATOM 116 CG ASN A 9 1.438 2.763 -8.542 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.020 3.173 -7.472 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.709 1.978 -9.344 1.00 0.00 N ATOM 0 H ASN A 9 3.330 2.985 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 9 4.440 4.586 -8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.623 3.733 -10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.410 2.356 -9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.233 1.701 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.096 1.656 -10.231 1.00 0.00 H new ATOM 125 N ALA A 10 2.532 5.582 -6.458 1.00 0.00 N ATOM 126 CA ALA A 10 1.669 6.650 -5.966 1.00 0.00 C ATOM 127 C ALA A 10 2.309 8.053 -5.938 1.00 0.00 C ATOM 128 O ALA A 10 2.346 8.696 -4.900 1.00 0.00 O ATOM 129 CB ALA A 10 1.218 6.264 -4.564 1.00 0.00 C ATOM 0 H ALA A 10 2.961 5.009 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 10 0.840 6.739 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.569 7.042 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.672 5.321 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.090 6.151 -3.919 1.00 0.00 H new ATOM 135 N GLU A 11 2.784 8.499 -7.118 1.00 0.00 N ATOM 136 CA GLU A 11 3.328 9.846 -7.330 1.00 0.00 C ATOM 137 C GLU A 11 4.155 10.441 -6.146 1.00 0.00 C ATOM 138 O GLU A 11 4.055 11.617 -5.822 1.00 0.00 O ATOM 139 CB GLU A 11 2.231 10.805 -7.866 1.00 0.00 C ATOM 140 CG GLU A 11 0.791 10.569 -7.354 1.00 0.00 C ATOM 141 CD GLU A 11 0.083 9.378 -8.030 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.165 9.221 -9.249 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.536 8.573 -7.337 1.00 0.00 O ATOM 0 H GLU A 11 2.799 7.922 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 11 4.088 9.733 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.519 11.826 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.221 10.736 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.820 10.400 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.203 11.472 -7.519 1.00 0.00 H new ATOM 150 N GLY A 12 5.016 9.579 -5.557 1.00 0.00 N ATOM 151 CA GLY A 12 5.941 10.030 -4.499 1.00 0.00 C ATOM 152 C GLY A 12 5.304 10.131 -3.095 1.00 0.00 C ATOM 153 O GLY A 12 5.997 10.405 -2.123 1.00 0.00 O ATOM 0 H GLY A 12 5.087 8.589 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.785 9.341 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.341 11.006 -4.774 1.00 0.00 H new ATOM 157 N GLN A 13 3.980 9.907 -3.012 1.00 0.00 N ATOM 158 CA GLN A 13 3.307 9.988 -1.718 1.00 0.00 C ATOM 159 C GLN A 13 3.742 8.823 -0.792 1.00 0.00 C ATOM 160 O GLN A 13 3.867 7.685 -1.226 1.00 0.00 O ATOM 161 CB GLN A 13 1.776 9.959 -1.893 1.00 0.00 C ATOM 162 CG GLN A 13 1.197 11.225 -2.558 1.00 0.00 C ATOM 163 CD GLN A 13 1.339 12.439 -1.629 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.365 13.100 -1.581 1.00 0.00 O ATOM 165 NE2 GLN A 13 0.258 12.687 -0.881 1.00 0.00 N ATOM 0 H GLN A 13 3.377 9.676 -3.802 1.00 0.00 H new ATOM 0 HA GLN A 13 3.596 10.933 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.505 9.090 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.311 9.829 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.715 11.417 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.146 11.067 -2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.569 12.097 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.261 13.467 -0.223 1.00 0.00 H new ATOM 174 N PRO A 14 3.940 9.140 0.518 1.00 0.00 N ATOM 175 CA PRO A 14 4.203 8.117 1.527 1.00 0.00 C ATOM 176 C PRO A 14 2.914 7.315 1.782 1.00 0.00 C ATOM 177 O PRO A 14 1.819 7.806 1.538 1.00 0.00 O ATOM 178 CB PRO A 14 4.608 8.926 2.766 1.00 0.00 C ATOM 179 CG PRO A 14 3.900 10.275 2.606 1.00 0.00 C ATOM 180 CD PRO A 14 3.840 10.485 1.091 1.00 0.00 C ATOM 0 HA PRO A 14 4.970 7.398 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.299 8.424 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.689 9.051 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.903 10.257 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.451 11.076 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.910 10.971 0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.655 11.122 0.748 1.00 0.00 H new ATOM 188 N CYS A 15 3.108 6.071 2.272 1.00 0.00 N ATOM 189 CA CYS A 15 1.981 5.178 2.571 1.00 0.00 C ATOM 190 C CYS A 15 0.865 5.884 3.353 1.00 0.00 C ATOM 191 O CYS A 15 1.110 6.743 4.192 1.00 0.00 O ATOM 192 CB CYS A 15 2.447 4.079 3.531 1.00 0.00 C ATOM 193 SG CYS A 15 3.496 2.814 2.782 1.00 0.00 S ATOM 0 H CYS A 15 4.026 5.671 2.465 1.00 0.00 H new ATOM 0 HA CYS A 15 1.625 4.815 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.991 4.542 4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.570 3.596 3.961 1.00 0.00 H new ATOM 198 N LYS A 16 -0.366 5.427 3.045 1.00 0.00 N ATOM 199 CA LYS A 16 -1.539 5.939 3.725 1.00 0.00 C ATOM 200 C LYS A 16 -2.117 4.802 4.563 1.00 0.00 C ATOM 201 O LYS A 16 -2.346 3.696 4.095 1.00 0.00 O ATOM 202 CB LYS A 16 -2.595 6.396 2.708 1.00 0.00 C ATOM 203 CG LYS A 16 -3.753 7.231 3.330 1.00 0.00 C ATOM 204 CD LYS A 16 -3.237 8.559 3.922 1.00 0.00 C ATOM 205 CE LYS A 16 -2.980 8.634 5.438 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.151 8.355 6.273 1.00 0.00 N ATOM 0 H LYS A 16 -0.557 4.716 2.339 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.265 6.792 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.107 6.990 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.016 5.518 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.504 7.439 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.244 6.650 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.305 8.809 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.957 9.337 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.191 7.927 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.607 9.629 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.182 9.029 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.015 8.451 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.089 7.386 6.646 1.00 0.00 H new ATOM 220 N PHE A 17 -2.332 5.165 5.830 1.00 0.00 N ATOM 221 CA PHE A 17 -2.916 4.256 6.801 1.00 0.00 C ATOM 222 C PHE A 17 -4.075 5.054 7.431 1.00 0.00 C ATOM 223 O PHE A 17 -3.948 6.269 7.570 1.00 0.00 O ATOM 224 CB PHE A 17 -1.850 3.887 7.857 1.00 0.00 C ATOM 225 CG PHE A 17 -0.658 3.141 7.295 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.815 1.908 6.671 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.632 3.652 7.417 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.281 1.196 6.207 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.730 2.939 6.960 1.00 0.00 C ATOM 230 CZ PHE A 17 1.562 1.699 6.362 1.00 0.00 C ATOM 0 H PHE A 17 -2.107 6.088 6.202 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.267 3.322 6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.500 4.800 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.316 3.276 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.806 1.498 6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.779 4.619 7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.134 0.243 5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.722 3.352 7.070 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.417 1.134 6.022 1.00 0.00 H new ATOM 240 N PRO A 18 -5.212 4.390 7.773 1.00 0.00 N ATOM 241 CA PRO A 18 -5.614 3.076 7.280 1.00 0.00 C ATOM 242 C PRO A 18 -6.095 3.215 5.822 1.00 0.00 C ATOM 243 O PRO A 18 -6.804 4.159 5.495 1.00 0.00 O ATOM 244 CB PRO A 18 -6.779 2.673 8.195 1.00 0.00 C ATOM 245 CG PRO A 18 -7.392 4.007 8.634 1.00 0.00 C ATOM 246 CD PRO A 18 -6.216 4.994 8.647 1.00 0.00 C ATOM 0 HA PRO A 18 -4.810 2.340 7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.505 2.056 7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.431 2.094 9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.172 4.330 7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.851 3.926 9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.519 5.975 8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.829 5.135 9.656 1.00 0.00 H new ATOM 254 N PHE A 19 -5.670 2.257 4.977 1.00 0.00 N ATOM 255 CA PHE A 19 -6.103 2.246 3.580 1.00 0.00 C ATOM 256 C PHE A 19 -7.063 1.058 3.423 1.00 0.00 C ATOM 257 O PHE A 19 -6.906 0.021 4.054 1.00 0.00 O ATOM 258 CB PHE A 19 -4.947 2.136 2.564 1.00 0.00 C ATOM 259 CG PHE A 19 -4.138 0.837 2.674 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.166 0.580 3.663 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.376 -0.158 1.714 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.430 -0.598 3.645 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.632 -1.360 1.710 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.654 -1.557 2.670 1.00 0.00 C ATOM 0 H PHE A 19 -5.040 1.498 5.236 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.581 3.200 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.355 2.213 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.275 2.983 2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.992 1.307 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.140 -0.003 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.675 -0.768 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.825 -2.118 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.064 -2.461 2.659 1.00 0.00 H new ATOM 274 N ARG A 20 -8.071 1.275 2.566 1.00 0.00 N ATOM 275 CA ARG A 20 -9.087 0.259 2.317 1.00 0.00 C ATOM 276 C ARG A 20 -8.701 -0.509 1.039 1.00 0.00 C ATOM 277 O ARG A 20 -8.343 0.086 0.033 1.00 0.00 O ATOM 278 CB ARG A 20 -10.438 1.001 2.193 1.00 0.00 C ATOM 279 CG ARG A 20 -11.662 0.187 1.747 1.00 0.00 C ATOM 280 CD ARG A 20 -12.196 -0.801 2.824 1.00 0.00 C ATOM 281 NE ARG A 20 -12.128 -0.229 4.192 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.969 0.745 4.602 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.877 1.251 3.773 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.868 1.192 5.849 1.00 0.00 N ATOM 0 H ARG A 20 -8.199 2.140 2.040 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.167 -0.476 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.666 1.446 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.306 1.822 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.462 0.875 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.403 -0.376 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.228 -1.065 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.616 -1.723 2.788 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.425 -0.582 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.944 0.904 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.507 1.986 4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.165 0.800 6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.493 1.927 6.179 1.00 0.00 H new ATOM 298 N PHE A 21 -8.789 -1.847 1.138 1.00 0.00 N ATOM 299 CA PHE A 21 -8.504 -2.730 0.007 1.00 0.00 C ATOM 300 C PHE A 21 -9.362 -3.984 0.236 1.00 0.00 C ATOM 301 O PHE A 21 -9.549 -4.415 1.362 1.00 0.00 O ATOM 302 CB PHE A 21 -7.000 -3.038 -0.021 1.00 0.00 C ATOM 303 CG PHE A 21 -6.643 -4.202 -0.908 1.00 0.00 C ATOM 304 CD1 PHE A 21 -6.967 -4.200 -2.254 1.00 0.00 C ATOM 305 CD2 PHE A 21 -5.970 -5.295 -0.389 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.564 -5.232 -3.091 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.573 -6.341 -1.209 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.854 -6.305 -2.568 1.00 0.00 C ATOM 0 H PHE A 21 -9.056 -2.335 1.993 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.746 -2.288 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.462 -2.153 -0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.661 -3.247 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.543 -3.382 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.751 -5.334 0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.802 -5.200 -4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.045 -7.184 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.523 -7.105 -3.214 1.00 0.00 H new ATOM 318 N GLN A 22 -9.911 -4.540 -0.849 1.00 0.00 N ATOM 319 CA GLN A 22 -10.810 -5.685 -0.756 1.00 0.00 C ATOM 320 C GLN A 22 -11.943 -5.417 0.282 1.00 0.00 C ATOM 321 O GLN A 22 -12.354 -6.316 1.009 1.00 0.00 O ATOM 322 CB GLN A 22 -10.088 -7.015 -0.384 1.00 0.00 C ATOM 323 CG GLN A 22 -8.971 -7.483 -1.349 1.00 0.00 C ATOM 324 CD GLN A 22 -8.059 -8.572 -0.750 1.00 0.00 C ATOM 325 OE1 GLN A 22 -7.735 -9.542 -1.421 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.650 -8.392 0.510 1.00 0.00 N ATOM 0 H GLN A 22 -9.746 -4.212 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.230 -5.808 -1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.656 -6.903 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.837 -7.804 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.427 -7.864 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.362 -6.624 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.947 -7.566 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.041 -9.081 0.952 1.00 0.00 H new ATOM 335 N GLY A 23 -12.403 -4.143 0.362 1.00 0.00 N ATOM 336 CA GLY A 23 -13.473 -3.825 1.316 1.00 0.00 C ATOM 337 C GLY A 23 -13.075 -3.992 2.805 1.00 0.00 C ATOM 338 O GLY A 23 -13.913 -3.920 3.693 1.00 0.00 O ATOM 0 H GLY A 23 -12.064 -3.360 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.795 -2.797 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.330 -4.465 1.108 1.00 0.00 H new ATOM 342 N THR A 24 -11.766 -4.211 3.024 1.00 0.00 N ATOM 343 CA THR A 24 -11.168 -4.432 4.330 1.00 0.00 C ATOM 344 C THR A 24 -10.191 -3.272 4.605 1.00 0.00 C ATOM 345 O THR A 24 -9.543 -2.786 3.690 1.00 0.00 O ATOM 346 CB THR A 24 -10.440 -5.784 4.213 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.324 -6.760 3.680 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.934 -6.296 5.565 1.00 0.00 C ATOM 0 H THR A 24 -11.084 -4.238 2.266 1.00 0.00 H new ATOM 0 HA THR A 24 -11.885 -4.460 5.151 1.00 0.00 H new ATOM 0 HB THR A 24 -9.583 -5.623 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.474 -6.581 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.429 -7.252 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.236 -5.575 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.777 -6.427 6.243 1.00 0.00 H new ATOM 356 N SER A 25 -10.126 -2.811 5.873 1.00 0.00 N ATOM 357 CA SER A 25 -9.226 -1.704 6.194 1.00 0.00 C ATOM 358 C SER A 25 -7.918 -2.267 6.772 1.00 0.00 C ATOM 359 O SER A 25 -7.927 -3.171 7.598 1.00 0.00 O ATOM 360 CB SER A 25 -9.913 -0.740 7.166 1.00 0.00 C ATOM 361 OG SER A 25 -11.297 -0.609 6.863 1.00 0.00 O ATOM 0 H SER A 25 -10.666 -3.177 6.657 1.00 0.00 H new ATOM 0 HA SER A 25 -8.983 -1.141 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.794 -1.102 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.432 0.237 7.115 1.00 0.00 H new ATOM 0 HG SER A 25 -11.800 -0.454 7.690 1.00 0.00 H new ATOM 367 N TYR A 26 -6.817 -1.690 6.267 1.00 0.00 N ATOM 368 CA TYR A 26 -5.461 -2.089 6.606 1.00 0.00 C ATOM 369 C TYR A 26 -4.724 -0.890 7.199 1.00 0.00 C ATOM 370 O TYR A 26 -4.754 0.197 6.639 1.00 0.00 O ATOM 371 CB TYR A 26 -4.729 -2.439 5.308 1.00 0.00 C ATOM 372 CG TYR A 26 -5.306 -3.638 4.619 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.398 -3.518 3.770 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.737 -4.889 4.809 1.00 0.00 C ATOM 375 CE1 TYR A 26 -6.895 -4.640 3.136 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.244 -6.007 4.165 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.340 -5.884 3.330 1.00 0.00 C ATOM 378 OH TYR A 26 -6.890 -6.965 2.673 1.00 0.00 O ATOM 0 H TYR A 26 -6.855 -0.919 5.600 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.489 -2.926 7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.768 -1.584 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.678 -2.624 5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.856 -2.554 3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.887 -4.993 5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.740 -4.538 2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.784 -6.973 4.315 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.456 -7.789 2.978 1.00 0.00 H new ATOM 388 N ASP A 27 -4.043 -1.161 8.326 1.00 0.00 N ATOM 389 CA ASP A 27 -3.246 -0.140 9.004 1.00 0.00 C ATOM 390 C ASP A 27 -1.782 -0.618 9.076 1.00 0.00 C ATOM 391 O ASP A 27 -1.027 -0.297 9.983 1.00 0.00 O ATOM 392 CB ASP A 27 -3.876 0.131 10.385 1.00 0.00 C ATOM 393 CG ASP A 27 -3.615 1.569 10.864 1.00 0.00 C ATOM 394 OD1 ASP A 27 -4.033 2.498 10.173 1.00 0.00 O ATOM 395 OD2 ASP A 27 -3.017 1.747 11.923 1.00 0.00 O ATOM 0 H ASP A 27 -4.032 -2.075 8.780 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.241 0.805 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.950 -0.045 10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.472 -0.573 11.113 1.00 0.00 H new ATOM 400 N SER A 28 -1.426 -1.433 8.060 1.00 0.00 N ATOM 401 CA SER A 28 -0.089 -1.997 8.018 1.00 0.00 C ATOM 402 C SER A 28 0.152 -2.566 6.609 1.00 0.00 C ATOM 403 O SER A 28 -0.767 -2.747 5.818 1.00 0.00 O ATOM 404 CB SER A 28 0.006 -3.102 9.100 1.00 0.00 C ATOM 405 OG SER A 28 -1.066 -4.017 8.894 1.00 0.00 O ATOM 0 H SER A 28 -2.035 -1.700 7.287 1.00 0.00 H new ATOM 0 HA SER A 28 0.673 -1.245 8.222 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.964 -3.617 9.034 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.053 -2.665 10.097 1.00 0.00 H new ATOM 0 HG SER A 28 -1.024 -4.727 9.568 1.00 0.00 H new ATOM 411 N CYS A 29 1.449 -2.829 6.372 1.00 0.00 N ATOM 412 CA CYS A 29 1.952 -3.410 5.130 1.00 0.00 C ATOM 413 C CYS A 29 1.296 -4.779 4.806 1.00 0.00 C ATOM 414 O CYS A 29 1.217 -5.646 5.673 1.00 0.00 O ATOM 415 CB CYS A 29 3.442 -3.647 5.379 1.00 0.00 C ATOM 416 SG CYS A 29 4.300 -2.146 5.908 1.00 0.00 S ATOM 0 H CYS A 29 2.183 -2.638 7.054 1.00 0.00 H new ATOM 0 HA CYS A 29 1.736 -2.745 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.562 -4.418 6.140 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.904 -4.024 4.467 1.00 0.00 H new ATOM 421 N THR A 30 0.869 -4.959 3.532 1.00 0.00 N ATOM 422 CA THR A 30 0.287 -6.237 3.109 1.00 0.00 C ATOM 423 C THR A 30 1.124 -6.815 1.956 1.00 0.00 C ATOM 424 O THR A 30 1.911 -6.123 1.327 1.00 0.00 O ATOM 425 CB THR A 30 -1.196 -6.089 2.723 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.673 -7.399 2.450 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.415 -5.182 1.494 1.00 0.00 C ATOM 0 H THR A 30 0.918 -4.248 2.802 1.00 0.00 H new ATOM 0 HA THR A 30 0.313 -6.933 3.947 1.00 0.00 H new ATOM 0 HB THR A 30 -1.735 -5.612 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.630 -7.362 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.481 -5.119 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.028 -4.185 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.891 -5.601 0.635 1.00 0.00 H new ATOM 435 N THR A 31 0.898 -8.125 1.739 1.00 0.00 N ATOM 436 CA THR A 31 1.555 -8.876 0.664 1.00 0.00 C ATOM 437 C THR A 31 0.518 -9.400 -0.351 1.00 0.00 C ATOM 438 O THR A 31 0.851 -10.085 -1.310 1.00 0.00 O ATOM 439 CB THR A 31 2.380 -10.057 1.233 1.00 0.00 C ATOM 440 OG1 THR A 31 2.733 -9.794 2.590 1.00 0.00 O ATOM 441 CG2 THR A 31 3.638 -10.287 0.384 1.00 0.00 C ATOM 0 H THR A 31 0.258 -8.685 2.303 1.00 0.00 H new ATOM 0 HA THR A 31 2.234 -8.194 0.153 1.00 0.00 H new ATOM 0 HB THR A 31 1.773 -10.962 1.198 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.253 -10.545 2.944 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.208 -11.120 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.348 -10.518 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.253 -9.387 0.393 1.00 0.00 H new ATOM 449 N GLU A 32 -0.762 -9.078 -0.086 1.00 0.00 N ATOM 450 CA GLU A 32 -1.823 -9.587 -0.945 1.00 0.00 C ATOM 451 C GLU A 32 -1.641 -9.105 -2.394 1.00 0.00 C ATOM 452 O GLU A 32 -1.598 -7.913 -2.670 1.00 0.00 O ATOM 453 CB GLU A 32 -3.156 -9.087 -0.390 1.00 0.00 C ATOM 454 CG GLU A 32 -3.518 -9.743 0.956 1.00 0.00 C ATOM 455 CD GLU A 32 -4.553 -8.897 1.701 1.00 0.00 C ATOM 456 OE1 GLU A 32 -4.358 -7.691 1.812 1.00 0.00 O ATOM 457 OE2 GLU A 32 -5.555 -9.427 2.167 1.00 0.00 O ATOM 0 H GLU A 32 -1.070 -8.490 0.688 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.795 -10.677 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.110 -8.005 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.946 -9.290 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.913 -10.745 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.622 -9.853 1.567 1.00 0.00 H new ATOM 464 N GLY A 33 -1.545 -10.104 -3.288 1.00 0.00 N ATOM 465 CA GLY A 33 -1.410 -9.811 -4.710 1.00 0.00 C ATOM 466 C GLY A 33 0.047 -9.762 -5.189 1.00 0.00 C ATOM 467 O GLY A 33 0.288 -9.639 -6.383 1.00 0.00 O ATOM 0 H GLY A 33 -1.559 -11.096 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.947 -10.568 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.886 -8.854 -4.923 1.00 0.00 H new ATOM 471 N ARG A 34 1.001 -9.874 -4.240 1.00 0.00 N ATOM 472 CA ARG A 34 2.409 -9.855 -4.683 1.00 0.00 C ATOM 473 C ARG A 34 3.066 -11.203 -4.370 1.00 0.00 C ATOM 474 O ARG A 34 3.182 -11.621 -3.226 1.00 0.00 O ATOM 475 CB ARG A 34 3.188 -8.756 -3.954 1.00 0.00 C ATOM 476 CG ARG A 34 2.660 -7.354 -4.306 1.00 0.00 C ATOM 477 CD ARG A 34 3.733 -6.254 -4.140 1.00 0.00 C ATOM 478 NE ARG A 34 4.608 -6.257 -5.327 1.00 0.00 N ATOM 479 CZ ARG A 34 4.520 -5.342 -6.325 1.00 0.00 C ATOM 480 NH1 ARG A 34 3.638 -4.349 -6.270 1.00 0.00 N ATOM 481 NH2 ARG A 34 5.324 -5.447 -7.374 1.00 0.00 N ATOM 0 H ARG A 34 0.842 -9.971 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 34 2.427 -9.663 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.116 -8.912 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.244 -8.824 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.301 -7.353 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.806 -7.122 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.259 -5.279 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.320 -6.433 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 34 5.317 -6.986 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.013 -4.266 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.586 -3.670 -7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.999 -6.210 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.267 -4.765 -8.130 1.00 0.00 H new ATOM 495 N THR A 35 3.534 -11.816 -5.470 1.00 0.00 N ATOM 496 CA THR A 35 4.229 -13.096 -5.402 1.00 0.00 C ATOM 497 C THR A 35 5.713 -12.887 -5.765 1.00 0.00 C ATOM 498 O THR A 35 6.412 -13.814 -6.150 1.00 0.00 O ATOM 499 CB THR A 35 3.541 -14.076 -6.374 1.00 0.00 C ATOM 500 OG1 THR A 35 2.152 -13.779 -6.359 1.00 0.00 O ATOM 501 CG2 THR A 35 3.785 -15.543 -5.981 1.00 0.00 C ATOM 0 H THR A 35 3.440 -11.439 -6.413 1.00 0.00 H new ATOM 0 HA THR A 35 4.185 -13.513 -4.396 1.00 0.00 H new ATOM 0 HB THR A 35 3.957 -13.954 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.681 -14.384 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.283 -16.199 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.855 -15.749 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.390 -15.722 -4.981 1.00 0.00 H new ATOM 509 N ASP A 36 6.144 -11.616 -5.613 1.00 0.00 N ATOM 510 CA ASP A 36 7.512 -11.216 -5.934 1.00 0.00 C ATOM 511 C ASP A 36 8.348 -10.944 -4.664 1.00 0.00 C ATOM 512 O ASP A 36 9.521 -10.603 -4.747 1.00 0.00 O ATOM 513 CB ASP A 36 7.473 -9.982 -6.858 1.00 0.00 C ATOM 514 CG ASP A 36 6.769 -8.750 -6.262 1.00 0.00 C ATOM 515 OD1 ASP A 36 6.464 -8.725 -5.072 1.00 0.00 O ATOM 516 OD2 ASP A 36 6.528 -7.799 -6.997 1.00 0.00 O ATOM 0 H ASP A 36 5.556 -10.856 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 36 8.004 -12.039 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.495 -9.708 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.971 -10.256 -7.786 1.00 0.00 H new ATOM 521 N GLY A 37 7.702 -11.146 -3.492 1.00 0.00 N ATOM 522 CA GLY A 37 8.401 -10.999 -2.220 1.00 0.00 C ATOM 523 C GLY A 37 8.123 -9.677 -1.502 1.00 0.00 C ATOM 524 O GLY A 37 8.360 -9.564 -0.306 1.00 0.00 O ATOM 0 H GLY A 37 6.719 -11.405 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.117 -11.822 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.473 -11.086 -2.395 1.00 0.00 H new ATOM 528 N TYR A 38 7.661 -8.677 -2.276 1.00 0.00 N ATOM 529 CA TYR A 38 7.521 -7.340 -1.698 1.00 0.00 C ATOM 530 C TYR A 38 6.147 -7.122 -1.055 1.00 0.00 C ATOM 531 O TYR A 38 5.158 -7.761 -1.394 1.00 0.00 O ATOM 532 CB TYR A 38 7.881 -6.296 -2.767 1.00 0.00 C ATOM 533 CG TYR A 38 9.177 -6.695 -3.424 1.00 0.00 C ATOM 534 CD1 TYR A 38 10.342 -6.840 -2.687 1.00 0.00 C ATOM 535 CD2 TYR A 38 9.233 -7.002 -4.772 1.00 0.00 C ATOM 536 CE1 TYR A 38 11.494 -7.330 -3.260 1.00 0.00 C ATOM 537 CE2 TYR A 38 10.381 -7.495 -5.349 1.00 0.00 C ATOM 538 CZ TYR A 38 11.525 -7.676 -4.596 1.00 0.00 C ATOM 539 OH TYR A 38 12.673 -8.200 -5.152 1.00 0.00 O ATOM 0 H TYR A 38 7.391 -8.766 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 38 8.220 -7.226 -0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.087 -6.229 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.977 -5.310 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.346 -6.563 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.357 -6.851 -5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.383 -7.445 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.388 -7.743 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 38 12.520 -8.389 -6.101 1.00 0.00 H new ATOM 549 N ARG A 39 6.169 -6.185 -0.088 1.00 0.00 N ATOM 550 CA ARG A 39 4.938 -5.847 0.665 1.00 0.00 C ATOM 551 C ARG A 39 4.626 -4.377 0.346 1.00 0.00 C ATOM 552 O ARG A 39 5.523 -3.548 0.273 1.00 0.00 O ATOM 553 CB ARG A 39 5.205 -6.149 2.165 1.00 0.00 C ATOM 554 CG ARG A 39 5.242 -7.675 2.395 1.00 0.00 C ATOM 555 CD ARG A 39 5.712 -8.161 3.786 1.00 0.00 C ATOM 556 NE ARG A 39 5.088 -7.493 4.922 1.00 0.00 N ATOM 557 CZ ARG A 39 3.774 -7.443 5.224 1.00 0.00 C ATOM 558 NH1 ARG A 39 2.836 -7.951 4.436 1.00 0.00 N ATOM 559 NH2 ARG A 39 3.410 -6.868 6.359 1.00 0.00 N ATOM 0 H ARG A 39 6.999 -5.660 0.188 1.00 0.00 H new ATOM 0 HA ARG A 39 4.061 -6.433 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.151 -5.703 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.426 -5.699 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.241 -8.069 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.896 -8.116 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.519 -9.231 3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.791 -8.026 3.854 1.00 0.00 H new ATOM 0 HE ARG A 39 5.717 -7.008 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.096 -8.403 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.854 -7.889 4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.116 -6.476 6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.423 -6.817 6.611 1.00 0.00 H new ATOM 573 N TRP A 40 3.325 -4.111 0.088 1.00 0.00 N ATOM 574 CA TRP A 40 2.867 -2.796 -0.341 1.00 0.00 C ATOM 575 C TRP A 40 1.823 -2.230 0.639 1.00 0.00 C ATOM 576 O TRP A 40 1.255 -2.946 1.458 1.00 0.00 O ATOM 577 CB TRP A 40 2.287 -2.914 -1.768 1.00 0.00 C ATOM 578 CG TRP A 40 1.017 -3.753 -1.816 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.963 -5.148 -1.915 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.355 -3.301 -1.804 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.326 -5.548 -1.973 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.171 -4.452 -1.907 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.946 -2.066 -1.715 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.529 -4.340 -1.921 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.340 -1.941 -1.727 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.132 -3.086 -1.832 1.00 0.00 C ATOM 0 H TRP A 40 2.580 -4.803 0.174 1.00 0.00 H new ATOM 0 HA TRP A 40 3.707 -2.101 -0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.074 -1.917 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.036 -3.357 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.820 -5.804 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.633 -6.517 -2.054 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.330 -1.182 -1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.141 -5.226 -2.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.800 -0.966 -1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.209 -3.001 -1.844 1.00 0.00 H new ATOM 597 N CYS A 41 1.599 -0.909 0.483 1.00 0.00 N ATOM 598 CA CYS A 41 0.596 -0.179 1.237 1.00 0.00 C ATOM 599 C CYS A 41 -0.211 0.677 0.246 1.00 0.00 C ATOM 600 O CYS A 41 0.315 1.113 -0.774 1.00 0.00 O ATOM 601 CB CYS A 41 1.311 0.730 2.236 1.00 0.00 C ATOM 602 SG CYS A 41 2.304 1.979 1.362 1.00 0.00 S ATOM 0 H CYS A 41 2.119 -0.329 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.068 -0.858 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.580 1.222 2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.954 0.134 2.884 1.00 0.00 H new ATOM 607 N GLY A 42 -1.491 0.919 0.586 1.00 0.00 N ATOM 608 CA GLY A 42 -2.283 1.828 -0.235 1.00 0.00 C ATOM 609 C GLY A 42 -1.826 3.259 0.081 1.00 0.00 C ATOM 610 O GLY A 42 -1.222 3.504 1.119 1.00 0.00 O ATOM 0 H GLY A 42 -1.974 0.514 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.144 1.607 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.345 1.710 -0.021 1.00 0.00 H new ATOM 614 N THR A 43 -2.135 4.181 -0.849 1.00 0.00 N ATOM 615 CA THR A 43 -1.718 5.575 -0.651 1.00 0.00 C ATOM 616 C THR A 43 -2.905 6.540 -0.684 1.00 0.00 C ATOM 617 O THR A 43 -2.753 7.729 -0.929 1.00 0.00 O ATOM 618 CB THR A 43 -0.646 5.947 -1.695 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.564 4.946 -2.689 1.00 0.00 O ATOM 620 CG2 THR A 43 0.733 6.073 -1.043 1.00 0.00 C ATOM 0 H THR A 43 -2.650 3.996 -1.710 1.00 0.00 H new ATOM 0 HA THR A 43 -1.283 5.667 0.344 1.00 0.00 H new ATOM 0 HB THR A 43 -0.936 6.901 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.461 4.754 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.471 6.336 -1.801 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.705 6.850 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.007 5.123 -0.584 1.00 0.00 H new ATOM 628 N THR A 44 -4.087 5.968 -0.419 1.00 0.00 N ATOM 629 CA THR A 44 -5.297 6.765 -0.387 1.00 0.00 C ATOM 630 C THR A 44 -6.176 6.145 0.697 1.00 0.00 C ATOM 631 O THR A 44 -5.818 5.146 1.312 1.00 0.00 O ATOM 632 CB THR A 44 -6.005 6.740 -1.760 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.562 5.448 -1.959 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.062 7.086 -2.924 1.00 0.00 C ATOM 0 H THR A 44 -4.220 4.975 -0.228 1.00 0.00 H new ATOM 0 HA THR A 44 -5.083 7.812 -0.171 1.00 0.00 H new ATOM 0 HB THR A 44 -6.782 7.504 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.297 5.505 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.615 7.052 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.656 8.087 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.246 6.364 -2.958 1.00 0.00 H new ATOM 642 N GLU A 45 -7.351 6.778 0.861 1.00 0.00 N ATOM 643 CA GLU A 45 -8.354 6.262 1.774 1.00 0.00 C ATOM 644 C GLU A 45 -8.823 4.881 1.271 1.00 0.00 C ATOM 645 O GLU A 45 -8.942 3.920 2.023 1.00 0.00 O ATOM 646 CB GLU A 45 -9.505 7.285 1.812 1.00 0.00 C ATOM 647 CG GLU A 45 -10.680 6.834 2.684 1.00 0.00 C ATOM 648 CD GLU A 45 -11.801 7.885 2.663 1.00 0.00 C ATOM 649 OE1 GLU A 45 -12.277 8.211 1.575 1.00 0.00 O ATOM 650 OE2 GLU A 45 -12.180 8.366 3.729 1.00 0.00 O ATOM 0 H GLU A 45 -7.616 7.635 0.375 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.964 6.127 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.126 8.236 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.860 7.461 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.062 5.879 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.341 6.676 3.708 1.00 0.00 H new ATOM 657 N ASP A 46 -9.080 4.869 -0.057 1.00 0.00 N ATOM 658 CA ASP A 46 -9.551 3.657 -0.725 1.00 0.00 C ATOM 659 C ASP A 46 -8.659 3.289 -1.929 1.00 0.00 C ATOM 660 O ASP A 46 -8.630 3.961 -2.954 1.00 0.00 O ATOM 661 CB ASP A 46 -11.042 3.740 -1.118 1.00 0.00 C ATOM 662 CG ASP A 46 -11.498 2.412 -1.747 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.001 1.366 -1.340 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.316 2.441 -2.661 1.00 0.00 O ATOM 0 H ASP A 46 -8.968 5.677 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.469 2.848 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.646 3.961 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.195 4.557 -1.823 1.00 0.00 H new ATOM 669 N TYR A 47 -7.949 2.160 -1.746 1.00 0.00 N ATOM 670 CA TYR A 47 -7.101 1.645 -2.815 1.00 0.00 C ATOM 671 C TYR A 47 -7.969 1.014 -3.907 1.00 0.00 C ATOM 672 O TYR A 47 -7.620 1.049 -5.081 1.00 0.00 O ATOM 673 CB TYR A 47 -6.170 0.560 -2.248 1.00 0.00 C ATOM 674 CG TYR A 47 -5.322 -0.051 -3.325 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.231 0.627 -3.839 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.623 -1.308 -3.827 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.437 0.038 -4.806 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.809 -1.914 -4.767 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.704 -1.239 -5.262 1.00 0.00 C ATOM 680 OH TYR A 47 -2.866 -1.808 -6.198 1.00 0.00 O ATOM 0 H TYR A 47 -7.950 1.606 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.518 2.466 -3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.529 0.993 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.764 -0.216 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.999 1.620 -3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.507 -1.822 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.597 0.583 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.034 -2.911 -5.115 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.185 -2.708 -6.418 1.00 0.00 H new ATOM 690 N ASP A 48 -9.094 0.414 -3.466 1.00 0.00 N ATOM 691 CA ASP A 48 -9.934 -0.276 -4.440 1.00 0.00 C ATOM 692 C ASP A 48 -10.392 0.698 -5.542 1.00 0.00 C ATOM 693 O ASP A 48 -10.402 0.383 -6.728 1.00 0.00 O ATOM 694 CB ASP A 48 -11.157 -0.962 -3.786 1.00 0.00 C ATOM 695 CG ASP A 48 -10.759 -2.135 -2.874 1.00 0.00 C ATOM 696 OD1 ASP A 48 -9.871 -2.900 -3.251 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.339 -2.298 -1.799 1.00 0.00 O ATOM 0 H ASP A 48 -9.420 0.396 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.325 -1.063 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.713 -0.227 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.826 -1.324 -4.566 1.00 0.00 H new ATOM 702 N ARG A 49 -10.750 1.911 -5.092 1.00 0.00 N ATOM 703 CA ARG A 49 -11.138 2.954 -6.031 1.00 0.00 C ATOM 704 C ARG A 49 -9.924 3.488 -6.842 1.00 0.00 C ATOM 705 O ARG A 49 -9.956 3.457 -8.069 1.00 0.00 O ATOM 706 CB ARG A 49 -11.882 4.063 -5.265 1.00 0.00 C ATOM 707 CG ARG A 49 -12.224 5.322 -6.083 1.00 0.00 C ATOM 708 CD ARG A 49 -11.332 6.518 -5.679 1.00 0.00 C ATOM 709 NE ARG A 49 -12.068 7.419 -4.798 1.00 0.00 N ATOM 710 CZ ARG A 49 -11.472 8.401 -4.081 1.00 0.00 C ATOM 711 NH1 ARG A 49 -10.151 8.558 -4.090 1.00 0.00 N ATOM 712 NH2 ARG A 49 -12.224 9.223 -3.354 1.00 0.00 N ATOM 0 H ARG A 49 -10.776 2.182 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.815 2.537 -6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.808 3.647 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.274 4.361 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.096 5.113 -7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.272 5.581 -5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.434 6.158 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.005 7.055 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.078 7.304 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.567 7.932 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.722 9.304 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.238 9.110 -3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.787 9.967 -2.810 1.00 0.00 H new ATOM 726 N ASP A 50 -8.905 3.994 -6.116 1.00 0.00 N ATOM 727 CA ASP A 50 -7.761 4.689 -6.735 1.00 0.00 C ATOM 728 C ASP A 50 -6.718 3.836 -7.513 1.00 0.00 C ATOM 729 O ASP A 50 -6.242 4.248 -8.562 1.00 0.00 O ATOM 730 CB ASP A 50 -7.023 5.482 -5.641 1.00 0.00 C ATOM 731 CG ASP A 50 -7.906 6.597 -5.061 1.00 0.00 C ATOM 732 OD1 ASP A 50 -8.341 7.467 -5.811 1.00 0.00 O ATOM 733 OD2 ASP A 50 -8.173 6.615 -3.863 1.00 0.00 O ATOM 0 H ASP A 50 -8.853 3.933 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.219 5.307 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.718 4.805 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.113 5.916 -6.056 1.00 0.00 H new ATOM 738 N LYS A 51 -6.323 2.688 -6.931 1.00 0.00 N ATOM 739 CA LYS A 51 -5.293 1.793 -7.476 1.00 0.00 C ATOM 740 C LYS A 51 -3.875 2.389 -7.503 1.00 0.00 C ATOM 741 O LYS A 51 -3.072 2.044 -8.364 1.00 0.00 O ATOM 742 CB LYS A 51 -5.594 1.223 -8.880 1.00 0.00 C ATOM 743 CG LYS A 51 -6.874 0.367 -8.941 1.00 0.00 C ATOM 744 CD LYS A 51 -8.161 1.171 -8.772 1.00 0.00 C ATOM 745 CE LYS A 51 -9.362 0.529 -9.472 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.588 1.239 -9.132 1.00 0.00 N ATOM 0 H LYS A 51 -6.720 2.353 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.327 0.977 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.686 2.049 -9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.748 0.618 -9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.906 -0.155 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.828 -0.395 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.380 1.277 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.010 2.175 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.213 0.545 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.446 -0.517 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.312 1.045 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.929 0.918 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.399 2.261 -9.097 1.00 0.00 H new ATOM 760 N LYS A 52 -3.573 3.253 -6.517 1.00 0.00 N ATOM 761 CA LYS A 52 -2.208 3.769 -6.434 1.00 0.00 C ATOM 762 C LYS A 52 -1.651 3.349 -5.062 1.00 0.00 C ATOM 763 O LYS A 52 -2.322 3.489 -4.041 1.00 0.00 O ATOM 764 CB LYS A 52 -2.162 5.296 -6.644 1.00 0.00 C ATOM 765 CG LYS A 52 -2.787 5.836 -7.960 1.00 0.00 C ATOM 766 CD LYS A 52 -2.233 5.290 -9.290 1.00 0.00 C ATOM 767 CE LYS A 52 -0.710 5.388 -9.367 1.00 0.00 C ATOM 768 NZ LYS A 52 -0.194 6.741 -9.186 1.00 0.00 N ATOM 0 H LYS A 52 -4.221 3.590 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.590 3.354 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.671 5.771 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.120 5.614 -6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.857 5.631 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.670 6.920 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.534 4.249 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.673 5.844 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.275 4.739 -8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.380 5.010 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.845 6.723 -9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.553 7.354 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.506 7.111 -8.266 1.00 0.00 H new ATOM 782 N TYR A 53 -0.428 2.778 -5.113 1.00 0.00 N ATOM 783 CA TYR A 53 0.213 2.207 -3.939 1.00 0.00 C ATOM 784 C TYR A 53 1.687 2.617 -3.856 1.00 0.00 C ATOM 785 O TYR A 53 2.283 3.208 -4.755 1.00 0.00 O ATOM 786 CB TYR A 53 0.092 0.669 -3.972 1.00 0.00 C ATOM 787 CG TYR A 53 0.945 -0.008 -5.017 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.515 -0.155 -6.330 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.179 -0.531 -4.661 1.00 0.00 C ATOM 790 CE1 TYR A 53 1.282 -0.859 -7.253 1.00 0.00 C ATOM 791 CE2 TYR A 53 2.945 -1.236 -5.571 1.00 0.00 C ATOM 792 CZ TYR A 53 2.496 -1.418 -6.867 1.00 0.00 C ATOM 793 OH TYR A 53 3.265 -2.174 -7.736 1.00 0.00 O ATOM 0 H TYR A 53 0.127 2.707 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.293 2.592 -3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.362 0.276 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.951 0.404 -4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.424 0.282 -6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.548 -0.385 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.935 -0.972 -8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.897 -1.646 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 53 3.120 -1.865 -8.655 1.00 0.00 H new ATOM 803 N GLY A 54 2.221 2.198 -2.700 1.00 0.00 N ATOM 804 CA GLY A 54 3.626 2.393 -2.369 1.00 0.00 C ATOM 805 C GLY A 54 4.195 1.085 -1.809 1.00 0.00 C ATOM 806 O GLY A 54 3.434 0.160 -1.537 1.00 0.00 O ATOM 0 H GLY A 54 1.688 1.717 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.183 2.696 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.732 3.193 -1.637 1.00 0.00 H new ATOM 810 N PHE A 55 5.542 1.034 -1.639 1.00 0.00 N ATOM 811 CA PHE A 55 6.118 -0.195 -1.079 1.00 0.00 C ATOM 812 C PHE A 55 6.305 0.055 0.421 1.00 0.00 C ATOM 813 O PHE A 55 6.313 1.177 0.907 1.00 0.00 O ATOM 814 CB PHE A 55 7.449 -0.653 -1.718 1.00 0.00 C ATOM 815 CG PHE A 55 7.288 -1.290 -3.076 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.643 -0.622 -4.105 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.808 -2.555 -3.332 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.532 -1.182 -5.368 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.693 -3.126 -4.593 1.00 0.00 C ATOM 820 CZ PHE A 55 7.057 -2.439 -5.616 1.00 0.00 C ATOM 0 H PHE A 55 6.202 1.778 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 55 5.431 -1.014 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.113 0.207 -1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.936 -1.363 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.219 0.354 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.306 -3.098 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.036 -0.638 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.101 -4.109 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.972 -2.881 -6.598 1.00 0.00 H new ATOM 830 N CYS A 56 6.378 -1.088 1.103 1.00 0.00 N ATOM 831 CA CYS A 56 6.453 -1.125 2.571 1.00 0.00 C ATOM 832 C CYS A 56 7.724 -1.933 2.861 1.00 0.00 C ATOM 833 O CYS A 56 8.261 -2.565 1.965 1.00 0.00 O ATOM 834 CB CYS A 56 5.190 -1.865 3.086 1.00 0.00 C ATOM 835 SG CYS A 56 4.162 -0.956 4.266 1.00 0.00 S ATOM 0 H CYS A 56 6.387 -2.008 0.663 1.00 0.00 H new ATOM 0 HA CYS A 56 6.489 -0.146 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.574 -2.131 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.505 -2.798 3.553 1.00 0.00 H new ATOM 840 N PRO A 57 8.206 -1.909 4.127 1.00 0.00 N ATOM 841 CA PRO A 57 9.372 -2.709 4.485 1.00 0.00 C ATOM 842 C PRO A 57 9.021 -4.206 4.582 1.00 0.00 C ATOM 843 O PRO A 57 8.151 -4.603 5.347 1.00 0.00 O ATOM 844 CB PRO A 57 9.764 -2.170 5.867 1.00 0.00 C ATOM 845 CG PRO A 57 8.462 -1.614 6.452 1.00 0.00 C ATOM 846 CD PRO A 57 7.666 -1.123 5.236 1.00 0.00 C ATOM 0 HA PRO A 57 10.168 -2.635 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.176 -2.958 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.526 -1.394 5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.915 -2.381 7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.658 -0.801 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.597 -1.292 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.803 -0.054 5.073 1.00 0.00 H new ATOM 854 N GLU A 58 9.760 -5.019 3.805 1.00 0.00 N ATOM 855 CA GLU A 58 9.579 -6.460 3.923 1.00 0.00 C ATOM 856 C GLU A 58 10.115 -6.893 5.302 1.00 0.00 C ATOM 857 O GLU A 58 10.876 -6.176 5.942 1.00 0.00 O ATOM 858 CB GLU A 58 10.314 -7.199 2.792 1.00 0.00 C ATOM 859 CG GLU A 58 9.673 -6.989 1.407 1.00 0.00 C ATOM 860 CD GLU A 58 9.846 -5.569 0.841 1.00 0.00 C ATOM 861 OE1 GLU A 58 10.856 -4.929 1.133 1.00 0.00 O ATOM 862 OE2 GLU A 58 8.966 -5.128 0.104 1.00 0.00 O ATOM 0 H GLU A 58 10.454 -4.714 3.122 1.00 0.00 H new ATOM 0 HA GLU A 58 8.522 -6.713 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.350 -6.861 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.334 -8.265 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.107 -7.703 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.609 -7.214 1.474 1.00 0.00 H new ATOM 869 N THR A 59 9.650 -8.084 5.728 1.00 0.00 N ATOM 870 CA THR A 59 10.045 -8.610 7.036 1.00 0.00 C ATOM 871 C THR A 59 9.479 -7.719 8.166 1.00 0.00 C ATOM 872 O THR A 59 10.126 -7.406 9.158 1.00 0.00 O ATOM 873 CB THR A 59 11.573 -8.807 7.109 1.00 0.00 C ATOM 874 OG1 THR A 59 11.971 -9.346 5.855 1.00 0.00 O ATOM 875 CG2 THR A 59 11.986 -9.762 8.242 1.00 0.00 C ATOM 0 H THR A 59 9.017 -8.682 5.197 1.00 0.00 H new ATOM 0 HA THR A 59 9.610 -9.600 7.177 1.00 0.00 H new ATOM 0 HB THR A 59 12.057 -7.853 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.941 -9.488 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.071 -9.868 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.652 -9.358 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.528 -10.738 8.081 1.00 0.00 H new ATOM 883 N ALA A 60 8.216 -7.351 7.902 1.00 0.00 N ATOM 884 CA ALA A 60 7.369 -6.527 8.745 1.00 0.00 C ATOM 885 C ALA A 60 5.947 -6.678 8.165 1.00 0.00 C ATOM 886 O ALA A 60 5.111 -5.724 8.215 1.00 0.00 O ATOM 887 CB ALA A 60 7.855 -5.070 8.742 1.00 0.00 C ATOM 888 OXT ALA A 60 5.607 -7.777 7.628 1.00 0.00 O ATOM 0 H ALA A 60 7.743 -7.641 7.046 1.00 0.00 H new ATOM 0 HA ALA A 60 7.393 -6.836 9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.207 -4.469 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.877 -5.026 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.827 -4.679 7.725 1.00 0.00 H new TER 894 ALA A 60