USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.109 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0318 (180deg=-0.397) USER MOD Single : A 12 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00702 X(o=-0.007,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -103:sc= 0.156 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 90:sc= 1.35 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.144 (180deg=-0.661) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= -0.955 (180deg=-1.92) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.424 USER MOD Single : A 47 SER OG : rot 70:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -7:sc= 0.983 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.556 -61.809 7.137 1.00 0.00 N ATOM 2 CA ALA A 1 0.903 -61.827 6.836 1.00 0.00 C ATOM 3 C ALA A 1 1.417 -60.409 6.631 1.00 0.00 C ATOM 4 O ALA A 1 0.652 -59.446 6.689 1.00 0.00 O ATOM 5 CB ALA A 1 1.190 -62.661 5.590 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.725 -62.251 8.063 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.894 -60.826 7.156 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.069 -62.337 6.402 1.00 0.00 H new ATOM 0 HA ALA A 1 1.417 -62.277 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.261 -62.659 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.853 -63.685 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.661 -62.235 4.737 1.00 0.00 H new ATOM 13 N GLU A 2 2.719 -60.285 6.393 1.00 0.00 N ATOM 14 CA GLU A 2 3.338 -58.980 6.179 1.00 0.00 C ATOM 15 C GLU A 2 2.912 -58.405 4.835 1.00 0.00 C ATOM 16 O GLU A 2 3.589 -58.596 3.824 1.00 0.00 O ATOM 17 CB GLU A 2 4.859 -59.109 6.234 1.00 0.00 C ATOM 18 CG GLU A 2 5.348 -60.244 5.339 1.00 0.00 C ATOM 19 CD GLU A 2 5.706 -61.461 6.181 1.00 0.00 C ATOM 20 OE1 GLU A 2 6.122 -61.279 7.346 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.570 -62.596 5.677 1.00 0.00 O ATOM 0 H GLU A 2 3.366 -61.072 6.343 1.00 0.00 H new ATOM 0 HA GLU A 2 3.009 -58.303 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.318 -58.171 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.175 -59.290 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.574 -60.507 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.218 -59.918 4.769 1.00 0.00 H new ATOM 28 N GLY A 3 1.779 -57.709 4.829 1.00 0.00 N ATOM 29 CA GLY A 3 1.244 -57.108 3.623 1.00 0.00 C ATOM 30 C GLY A 3 2.314 -56.324 2.871 1.00 0.00 C ATOM 31 O GLY A 3 3.464 -56.247 3.302 1.00 0.00 O ATOM 0 H GLY A 3 1.211 -57.549 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.838 -57.886 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.418 -56.445 3.880 1.00 0.00 H new ATOM 35 N ASP A 4 1.920 -55.735 1.744 1.00 0.00 N ATOM 36 CA ASP A 4 2.834 -54.946 0.917 1.00 0.00 C ATOM 37 C ASP A 4 3.659 -54.000 1.771 1.00 0.00 C ATOM 38 O ASP A 4 4.847 -54.219 2.008 1.00 0.00 O ATOM 39 CB ASP A 4 2.040 -54.119 -0.090 1.00 0.00 C ATOM 40 CG ASP A 4 2.235 -54.666 -1.498 1.00 0.00 C ATOM 41 OD1 ASP A 4 2.186 -55.903 -1.669 1.00 0.00 O ATOM 42 OD2 ASP A 4 2.436 -53.859 -2.429 1.00 0.00 O ATOM 0 H ASP A 4 0.969 -55.789 1.380 1.00 0.00 H new ATOM 0 HA ASP A 4 3.499 -55.638 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.982 -54.136 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.362 -53.078 -0.050 1.00 0.00 H new ATOM 47 N ASP A 5 3.008 -52.934 2.207 1.00 0.00 N ATOM 48 CA ASP A 5 3.638 -51.919 3.011 1.00 0.00 C ATOM 49 C ASP A 5 2.568 -50.990 3.567 1.00 0.00 C ATOM 50 O ASP A 5 1.776 -50.423 2.813 1.00 0.00 O ATOM 51 CB ASP A 5 4.621 -51.131 2.152 1.00 0.00 C ATOM 52 CG ASP A 5 5.348 -50.083 2.988 1.00 0.00 C ATOM 53 OD1 ASP A 5 4.880 -49.777 4.104 1.00 0.00 O ATOM 54 OD2 ASP A 5 6.387 -49.570 2.522 1.00 0.00 O ATOM 0 H ASP A 5 2.024 -52.755 2.008 1.00 0.00 H new ATOM 0 HA ASP A 5 4.179 -52.380 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.345 -51.811 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.089 -50.646 1.334 1.00 0.00 H new ATOM 59 N PRO A 6 2.537 -50.809 4.892 1.00 0.00 N ATOM 60 CA PRO A 6 1.562 -49.923 5.549 1.00 0.00 C ATOM 61 C PRO A 6 1.699 -48.490 5.052 1.00 0.00 C ATOM 62 O PRO A 6 0.787 -47.677 5.206 1.00 0.00 O ATOM 63 CB PRO A 6 1.885 -50.065 7.036 1.00 0.00 C ATOM 64 CG PRO A 6 3.297 -50.542 7.071 1.00 0.00 C ATOM 65 CD PRO A 6 3.445 -51.425 5.858 1.00 0.00 C ATOM 0 HA PRO A 6 0.527 -50.188 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.775 -49.114 7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.215 -50.775 7.521 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.996 -49.706 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.504 -51.094 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.472 -51.441 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.167 -52.457 6.073 1.00 0.00 H new ATOM 73 N ALA A 7 2.832 -48.201 4.418 1.00 0.00 N ATOM 74 CA ALA A 7 3.088 -46.888 3.851 1.00 0.00 C ATOM 75 C ALA A 7 2.014 -46.563 2.824 1.00 0.00 C ATOM 76 O ALA A 7 1.662 -45.402 2.614 1.00 0.00 O ATOM 77 CB ALA A 7 4.453 -46.896 3.172 1.00 0.00 C ATOM 0 H ALA A 7 3.592 -48.868 4.285 1.00 0.00 H new ATOM 0 HA ALA A 7 3.074 -46.136 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.652 -45.914 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.223 -47.135 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.461 -47.645 2.380 1.00 0.00 H new ATOM 83 N LYS A 8 1.508 -47.609 2.179 1.00 0.00 N ATOM 84 CA LYS A 8 0.479 -47.475 1.155 1.00 0.00 C ATOM 85 C LYS A 8 -0.844 -47.021 1.766 1.00 0.00 C ATOM 86 O LYS A 8 -1.637 -46.339 1.115 1.00 0.00 O ATOM 87 CB LYS A 8 0.306 -48.817 0.441 1.00 0.00 C ATOM 88 CG LYS A 8 -0.422 -49.836 1.317 1.00 0.00 C ATOM 89 CD LYS A 8 -1.916 -49.878 0.989 1.00 0.00 C ATOM 90 CE LYS A 8 -2.619 -51.061 1.664 1.00 0.00 C ATOM 91 NZ LYS A 8 -1.923 -51.485 2.913 1.00 0.00 N ATOM 0 H LYS A 8 1.799 -48.571 2.351 1.00 0.00 H new ATOM 0 HA LYS A 8 0.789 -46.716 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.252 -48.668 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.284 -49.210 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.014 -50.824 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.284 -49.581 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.384 -48.947 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.048 -49.946 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.648 -50.786 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.663 -51.901 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.544 -52.115 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.047 -51.989 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.692 -50.647 3.484 1.00 0.00 H new ATOM 105 N ALA A 9 -1.081 -47.411 3.013 1.00 0.00 N ATOM 106 CA ALA A 9 -2.314 -47.055 3.709 1.00 0.00 C ATOM 107 C ALA A 9 -2.372 -45.557 3.982 1.00 0.00 C ATOM 108 O ALA A 9 -3.445 -44.954 3.952 1.00 0.00 O ATOM 109 CB ALA A 9 -2.407 -47.824 5.025 1.00 0.00 C ATOM 0 H ALA A 9 -0.435 -47.975 3.565 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.157 -47.321 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.329 -47.554 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.405 -48.895 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.553 -47.573 5.654 1.00 0.00 H new ATOM 115 N ALA A 10 -1.217 -44.961 4.258 1.00 0.00 N ATOM 116 CA ALA A 10 -1.145 -43.531 4.549 1.00 0.00 C ATOM 117 C ALA A 10 -1.080 -42.715 3.262 1.00 0.00 C ATOM 118 O ALA A 10 -1.831 -41.756 3.088 1.00 0.00 O ATOM 119 CB ALA A 10 0.080 -43.239 5.411 1.00 0.00 C ATOM 0 H ALA A 10 -0.319 -45.443 4.287 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.047 -43.245 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.128 -42.171 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.007 -43.793 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.981 -43.544 4.878 1.00 0.00 H new ATOM 125 N PHE A 11 -0.174 -43.095 2.368 1.00 0.00 N ATOM 126 CA PHE A 11 -0.007 -42.390 1.099 1.00 0.00 C ATOM 127 C PHE A 11 -1.324 -42.342 0.335 1.00 0.00 C ATOM 128 O PHE A 11 -1.630 -41.354 -0.333 1.00 0.00 O ATOM 129 CB PHE A 11 1.061 -43.089 0.255 1.00 0.00 C ATOM 130 CG PHE A 11 1.509 -42.290 -0.962 1.00 0.00 C ATOM 131 CD1 PHE A 11 1.085 -40.977 -1.144 1.00 0.00 C ATOM 132 CD2 PHE A 11 2.354 -42.872 -1.903 1.00 0.00 C ATOM 133 CE1 PHE A 11 1.501 -40.257 -2.252 1.00 0.00 C ATOM 134 CE2 PHE A 11 2.766 -42.148 -3.010 1.00 0.00 C ATOM 135 CZ PHE A 11 2.340 -40.843 -3.184 1.00 0.00 C ATOM 0 H PHE A 11 0.456 -43.886 2.497 1.00 0.00 H new ATOM 0 HA PHE A 11 0.309 -41.368 1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.929 -43.294 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.674 -44.052 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.429 -40.518 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.689 -43.890 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.171 -39.238 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.421 -42.603 -3.738 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.663 -40.281 -4.048 1.00 0.00 H new ATOM 145 N ASN A 12 -2.094 -43.420 0.427 1.00 0.00 N ATOM 146 CA ASN A 12 -3.376 -43.512 -0.267 1.00 0.00 C ATOM 147 C ASN A 12 -4.403 -42.555 0.333 1.00 0.00 C ATOM 148 O ASN A 12 -5.282 -42.061 -0.373 1.00 0.00 O ATOM 149 CB ASN A 12 -3.903 -44.941 -0.192 1.00 0.00 C ATOM 150 CG ASN A 12 -5.043 -45.130 -1.184 1.00 0.00 C ATOM 151 OD1 ASN A 12 -5.202 -44.345 -2.119 1.00 0.00 O ATOM 152 ND2 ASN A 12 -5.841 -46.172 -0.981 1.00 0.00 N ATOM 0 H ASN A 12 -1.853 -44.245 0.976 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.216 -43.231 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.100 -45.645 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.250 -45.156 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.622 -46.347 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.673 -46.797 -0.193 1.00 0.00 H new ATOM 159 N SER A 13 -4.301 -42.301 1.634 1.00 0.00 N ATOM 160 CA SER A 13 -5.242 -41.411 2.310 1.00 0.00 C ATOM 161 C SER A 13 -4.739 -39.975 2.297 1.00 0.00 C ATOM 162 O SER A 13 -5.512 -39.042 2.087 1.00 0.00 O ATOM 163 CB SER A 13 -5.458 -41.864 3.747 1.00 0.00 C ATOM 164 OG SER A 13 -6.759 -41.501 4.189 1.00 0.00 O ATOM 0 H SER A 13 -3.581 -42.696 2.239 1.00 0.00 H new ATOM 0 HA SER A 13 -6.189 -41.453 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.331 -42.944 3.818 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.707 -41.412 4.395 1.00 0.00 H new ATOM 0 HG SER A 13 -6.885 -41.800 5.114 1.00 0.00 H new ATOM 170 N LEU A 14 -3.443 -39.798 2.522 1.00 0.00 N ATOM 171 CA LEU A 14 -2.849 -38.463 2.533 1.00 0.00 C ATOM 172 C LEU A 14 -3.185 -37.725 1.242 1.00 0.00 C ATOM 173 O LEU A 14 -3.202 -36.495 1.207 1.00 0.00 O ATOM 174 CB LEU A 14 -1.335 -38.562 2.705 1.00 0.00 C ATOM 175 CG LEU A 14 -0.743 -37.234 3.180 1.00 0.00 C ATOM 176 CD1 LEU A 14 -1.135 -36.942 4.628 1.00 0.00 C ATOM 177 CD2 LEU A 14 0.781 -37.218 3.026 1.00 0.00 C ATOM 0 H LEU A 14 -2.784 -40.557 2.699 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.262 -37.903 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.099 -39.346 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.877 -38.849 1.758 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.157 -36.448 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.700 -35.992 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.221 -36.887 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.764 -37.739 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.172 -36.261 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.215 -38.023 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.042 -37.359 1.977 1.00 0.00 H new ATOM 189 N GLN A 15 -3.460 -38.484 0.188 1.00 0.00 N ATOM 190 CA GLN A 15 -3.808 -37.906 -1.106 1.00 0.00 C ATOM 191 C GLN A 15 -5.318 -37.683 -1.211 1.00 0.00 C ATOM 192 O GLN A 15 -5.805 -37.146 -2.206 1.00 0.00 O ATOM 193 CB GLN A 15 -3.340 -38.829 -2.228 1.00 0.00 C ATOM 194 CG GLN A 15 -3.038 -38.047 -3.501 1.00 0.00 C ATOM 195 CD GLN A 15 -2.971 -38.990 -4.696 1.00 0.00 C ATOM 196 OE1 GLN A 15 -3.639 -38.776 -5.707 1.00 0.00 O ATOM 197 NE2 GLN A 15 -2.161 -40.036 -4.579 1.00 0.00 N ATOM 0 H GLN A 15 -3.449 -39.504 0.203 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.309 -36.941 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.448 -39.368 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.108 -39.576 -2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.809 -37.294 -3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.092 -37.516 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.626 -40.173 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.074 -40.702 -5.347 1.00 0.00 H new ATOM 206 N ALA A 16 -6.056 -38.097 -0.180 1.00 0.00 N ATOM 207 CA ALA A 16 -7.505 -37.943 -0.154 1.00 0.00 C ATOM 208 C ALA A 16 -7.899 -36.710 0.653 1.00 0.00 C ATOM 209 O ALA A 16 -9.006 -36.191 0.510 1.00 0.00 O ATOM 210 CB ALA A 16 -8.140 -39.189 0.461 1.00 0.00 C ATOM 0 H ALA A 16 -5.668 -38.544 0.651 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.863 -37.817 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.224 -39.073 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.879 -40.063 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.771 -39.321 1.478 1.00 0.00 H new ATOM 216 N SER A 17 -6.990 -36.248 1.510 1.00 0.00 N ATOM 217 CA SER A 17 -7.247 -35.082 2.349 1.00 0.00 C ATOM 218 C SER A 17 -6.336 -33.919 1.963 1.00 0.00 C ATOM 219 O SER A 17 -6.791 -32.785 1.809 1.00 0.00 O ATOM 220 CB SER A 17 -7.021 -35.446 3.813 1.00 0.00 C ATOM 221 OG SER A 17 -6.906 -34.272 4.603 1.00 0.00 O ATOM 0 H SER A 17 -6.068 -36.665 1.641 1.00 0.00 H new ATOM 0 HA SER A 17 -8.281 -34.772 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.849 -36.056 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.117 -36.047 3.909 1.00 0.00 H new ATOM 0 HG SER A 17 -6.763 -34.521 5.540 1.00 0.00 H new ATOM 227 N ALA A 18 -5.046 -34.205 1.821 1.00 0.00 N ATOM 228 CA ALA A 18 -4.057 -33.187 1.468 1.00 0.00 C ATOM 229 C ALA A 18 -4.540 -32.313 0.315 1.00 0.00 C ATOM 230 O ALA A 18 -4.150 -31.150 0.206 1.00 0.00 O ATOM 231 CB ALA A 18 -2.738 -33.855 1.090 1.00 0.00 C ATOM 0 H ALA A 18 -4.657 -35.140 1.946 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.910 -32.547 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.005 -33.092 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.370 -34.437 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.896 -34.515 0.237 1.00 0.00 H new ATOM 237 N THR A 19 -5.381 -32.871 -0.552 1.00 0.00 N ATOM 238 CA THR A 19 -5.893 -32.123 -1.696 1.00 0.00 C ATOM 239 C THR A 19 -6.664 -30.898 -1.230 1.00 0.00 C ATOM 240 O THR A 19 -6.439 -29.791 -1.721 1.00 0.00 O ATOM 241 CB THR A 19 -6.784 -33.016 -2.557 1.00 0.00 C ATOM 242 OG1 THR A 19 -6.691 -34.362 -2.118 1.00 0.00 O ATOM 243 CG2 THR A 19 -6.392 -32.919 -4.031 1.00 0.00 C ATOM 0 H THR A 19 -5.720 -33.831 -0.485 1.00 0.00 H new ATOM 0 HA THR A 19 -5.048 -31.790 -2.298 1.00 0.00 H new ATOM 0 HB THR A 19 -7.814 -32.674 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.117 -34.867 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.041 -33.564 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.499 -31.888 -4.369 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.356 -33.236 -4.154 1.00 0.00 H new ATOM 251 N GLU A 20 -7.566 -31.091 -0.276 1.00 0.00 N ATOM 252 CA GLU A 20 -8.354 -30.000 0.257 1.00 0.00 C ATOM 253 C GLU A 20 -7.450 -28.933 0.878 1.00 0.00 C ATOM 254 O GLU A 20 -7.885 -27.807 1.118 1.00 0.00 O ATOM 255 CB GLU A 20 -9.315 -30.551 1.308 1.00 0.00 C ATOM 256 CG GLU A 20 -10.667 -30.946 0.705 1.00 0.00 C ATOM 257 CD GLU A 20 -10.475 -31.776 -0.560 1.00 0.00 C ATOM 258 OE1 GLU A 20 -10.378 -33.017 -0.449 1.00 0.00 O ATOM 259 OE2 GLU A 20 -10.421 -31.184 -1.658 1.00 0.00 O ATOM 0 H GLU A 20 -7.767 -31.999 0.143 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.918 -29.535 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.866 -31.420 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.470 -29.802 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.243 -31.515 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.243 -30.050 0.473 1.00 0.00 H new ATOM 266 N TYR A 21 -6.191 -29.292 1.145 1.00 0.00 N ATOM 267 CA TYR A 21 -5.240 -28.367 1.744 1.00 0.00 C ATOM 268 C TYR A 21 -4.484 -27.583 0.673 1.00 0.00 C ATOM 269 O TYR A 21 -3.852 -26.573 0.973 1.00 0.00 O ATOM 270 CB TYR A 21 -4.250 -29.145 2.613 1.00 0.00 C ATOM 271 CG TYR A 21 -4.888 -29.858 3.793 1.00 0.00 C ATOM 272 CD1 TYR A 21 -6.263 -29.819 3.995 1.00 0.00 C ATOM 273 CD2 TYR A 21 -4.087 -30.559 4.679 1.00 0.00 C ATOM 274 CE1 TYR A 21 -6.825 -30.478 5.076 1.00 0.00 C ATOM 275 CE2 TYR A 21 -4.653 -31.217 5.759 1.00 0.00 C ATOM 276 CZ TYR A 21 -6.018 -31.174 5.953 1.00 0.00 C ATOM 277 OH TYR A 21 -6.576 -31.830 7.029 1.00 0.00 O ATOM 0 H TYR A 21 -5.812 -30.219 0.953 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.791 -27.655 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.737 -29.880 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.491 -28.457 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.894 -29.274 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.018 -30.593 4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.893 -30.447 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.026 -31.763 6.448 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.869 -32.271 7.546 1.00 0.00 H new ATOM 287 N ILE A 22 -4.553 -28.033 -0.581 1.00 0.00 N ATOM 288 CA ILE A 22 -3.879 -27.361 -1.678 1.00 0.00 C ATOM 289 C ILE A 22 -4.077 -25.840 -1.595 1.00 0.00 C ATOM 290 O ILE A 22 -3.242 -25.075 -2.076 1.00 0.00 O ATOM 291 CB ILE A 22 -4.429 -27.944 -2.985 1.00 0.00 C ATOM 292 CG1 ILE A 22 -3.715 -29.275 -3.317 1.00 0.00 C ATOM 293 CG2 ILE A 22 -4.291 -26.969 -4.150 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.299 -29.029 -3.859 1.00 0.00 C ATOM 0 H ILE A 22 -5.074 -28.866 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.803 -27.527 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.493 -28.129 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.661 -29.894 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.297 -29.829 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.693 -27.424 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.842 -26.055 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.238 -26.730 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.824 -29.984 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.356 -28.431 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.710 -28.497 -3.111 1.00 0.00 H new ATOM 306 N GLY A 23 -5.182 -25.409 -0.991 1.00 0.00 N ATOM 307 CA GLY A 23 -5.474 -23.984 -0.860 1.00 0.00 C ATOM 308 C GLY A 23 -5.085 -23.456 0.517 1.00 0.00 C ATOM 309 O GLY A 23 -4.423 -22.425 0.631 1.00 0.00 O ATOM 0 H GLY A 23 -5.888 -26.024 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.936 -23.429 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.537 -23.813 -1.029 1.00 0.00 H new ATOM 313 N TYR A 24 -5.510 -24.159 1.561 1.00 0.00 N ATOM 314 CA TYR A 24 -5.218 -23.752 2.939 1.00 0.00 C ATOM 315 C TYR A 24 -4.264 -24.743 3.606 1.00 0.00 C ATOM 316 O TYR A 24 -4.485 -25.160 4.744 1.00 0.00 O ATOM 317 CB TYR A 24 -6.515 -23.644 3.756 1.00 0.00 C ATOM 318 CG TYR A 24 -7.693 -24.358 3.132 1.00 0.00 C ATOM 319 CD1 TYR A 24 -8.293 -23.842 1.995 1.00 0.00 C ATOM 320 CD2 TYR A 24 -8.174 -25.529 3.693 1.00 0.00 C ATOM 321 CE1 TYR A 24 -9.370 -24.494 1.421 1.00 0.00 C ATOM 322 CE2 TYR A 24 -9.252 -26.180 3.117 1.00 0.00 C ATOM 323 CZ TYR A 24 -9.845 -25.660 1.985 1.00 0.00 C ATOM 324 OH TYR A 24 -10.917 -26.308 1.415 1.00 0.00 O ATOM 0 H TYR A 24 -6.059 -25.015 1.484 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.739 -22.774 2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.341 -24.052 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.766 -22.591 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.919 -22.929 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.709 -25.934 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.837 -24.091 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.628 -27.094 3.553 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.126 -27.113 1.933 1.00 0.00 H new ATOM 334 N ALA A 25 -3.198 -25.118 2.899 1.00 0.00 N ATOM 335 CA ALA A 25 -2.216 -26.060 3.438 1.00 0.00 C ATOM 336 C ALA A 25 -1.271 -25.346 4.396 1.00 0.00 C ATOM 337 O ALA A 25 -0.907 -25.885 5.441 1.00 0.00 O ATOM 338 CB ALA A 25 -1.408 -26.698 2.302 1.00 0.00 C ATOM 0 H ALA A 25 -2.993 -24.786 1.957 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.751 -26.842 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.682 -27.396 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.082 -27.232 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.885 -25.920 1.746 1.00 0.00 H new ATOM 344 N TRP A 26 -0.878 -24.131 4.034 1.00 0.00 N ATOM 345 CA TRP A 26 0.021 -23.336 4.850 1.00 0.00 C ATOM 346 C TRP A 26 -0.568 -23.126 6.239 1.00 0.00 C ATOM 347 O TRP A 26 0.096 -23.363 7.248 1.00 0.00 O ATOM 348 CB TRP A 26 0.248 -21.994 4.172 1.00 0.00 C ATOM 349 CG TRP A 26 1.419 -22.006 3.238 1.00 0.00 C ATOM 350 CD1 TRP A 26 1.417 -21.646 1.918 1.00 0.00 C ATOM 351 CD2 TRP A 26 2.773 -22.398 3.549 1.00 0.00 C ATOM 352 NE1 TRP A 26 2.681 -21.796 1.419 1.00 0.00 N ATOM 353 CE2 TRP A 26 3.529 -22.251 2.380 1.00 0.00 C ATOM 354 CE3 TRP A 26 3.415 -22.857 4.700 1.00 0.00 C ATOM 355 CZ2 TRP A 26 4.882 -22.545 2.336 1.00 0.00 C ATOM 356 CZ3 TRP A 26 4.769 -23.155 4.664 1.00 0.00 C ATOM 357 CH2 TRP A 26 5.497 -23.000 3.491 1.00 0.00 C ATOM 0 H TRP A 26 -1.173 -23.674 3.171 1.00 0.00 H new ATOM 0 HA TRP A 26 0.971 -23.860 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -0.649 -21.715 3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.404 -21.229 4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 26 0.558 -21.300 1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 26 2.951 -21.594 0.456 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.858 -22.980 5.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 5.445 -22.422 1.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.262 -23.511 5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.551 -23.236 3.479 1.00 0.00 H new ATOM 368 N ALA A 27 -1.818 -22.681 6.282 1.00 0.00 N ATOM 369 CA ALA A 27 -2.502 -22.436 7.547 1.00 0.00 C ATOM 370 C ALA A 27 -2.666 -23.737 8.321 1.00 0.00 C ATOM 371 O ALA A 27 -2.529 -23.762 9.544 1.00 0.00 O ATOM 372 CB ALA A 27 -3.867 -21.810 7.284 1.00 0.00 C ATOM 0 H ALA A 27 -2.380 -22.482 5.454 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.902 -21.749 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.373 -21.629 8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.738 -20.865 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.467 -22.487 6.676 1.00 0.00 H new ATOM 378 N MET A 28 -2.953 -24.820 7.604 1.00 0.00 N ATOM 379 CA MET A 28 -3.126 -26.121 8.226 1.00 0.00 C ATOM 380 C MET A 28 -1.805 -26.561 8.837 1.00 0.00 C ATOM 381 O MET A 28 -1.772 -27.190 9.894 1.00 0.00 O ATOM 382 CB MET A 28 -3.589 -27.124 7.165 1.00 0.00 C ATOM 383 CG MET A 28 -4.050 -28.463 7.749 1.00 0.00 C ATOM 384 SD MET A 28 -5.012 -28.310 9.268 1.00 0.00 S ATOM 385 CE MET A 28 -6.656 -28.006 8.599 1.00 0.00 C ATOM 0 H MET A 28 -3.070 -24.818 6.591 1.00 0.00 H new ATOM 0 HA MET A 28 -3.877 -26.068 9.014 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.407 -26.685 6.594 1.00 0.00 H new ATOM 0 HB3 MET A 28 -2.773 -27.304 6.466 1.00 0.00 H new ATOM 0 HG2 MET A 28 -4.649 -28.986 7.003 1.00 0.00 H new ATOM 0 HG3 MET A 28 -3.175 -29.082 7.946 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.366 -27.889 9.418 1.00 0.00 H new ATOM 0 HE2 MET A 28 -6.642 -27.097 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 28 -6.957 -28.848 7.976 1.00 0.00 H new ATOM 395 N VAL A 29 -0.713 -26.206 8.163 1.00 0.00 N ATOM 396 CA VAL A 29 0.625 -26.539 8.635 1.00 0.00 C ATOM 397 C VAL A 29 0.949 -25.698 9.860 1.00 0.00 C ATOM 398 O VAL A 29 1.409 -26.214 10.879 1.00 0.00 O ATOM 399 CB VAL A 29 1.644 -26.278 7.528 1.00 0.00 C ATOM 400 CG1 VAL A 29 3.060 -26.579 8.009 1.00 0.00 C ATOM 401 CG2 VAL A 29 1.313 -27.109 6.292 1.00 0.00 C ATOM 0 H VAL A 29 -0.731 -25.686 7.286 1.00 0.00 H new ATOM 0 HA VAL A 29 0.667 -27.594 8.905 1.00 0.00 H new ATOM 0 HB VAL A 29 1.593 -25.222 7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.767 -26.385 7.202 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.298 -25.942 8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.128 -27.625 8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.049 -26.911 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.333 -28.168 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.320 -26.842 5.930 1.00 0.00 H new ATOM 411 N VAL A 30 0.689 -24.398 9.756 1.00 0.00 N ATOM 412 CA VAL A 30 0.933 -23.476 10.857 1.00 0.00 C ATOM 413 C VAL A 30 0.158 -23.937 12.081 1.00 0.00 C ATOM 414 O VAL A 30 0.688 -23.975 13.191 1.00 0.00 O ATOM 415 CB VAL A 30 0.508 -22.067 10.454 1.00 0.00 C ATOM 416 CG1 VAL A 30 0.619 -21.104 11.633 1.00 0.00 C ATOM 417 CG2 VAL A 30 1.345 -21.572 9.280 1.00 0.00 C ATOM 0 H VAL A 30 0.308 -23.960 8.917 1.00 0.00 H new ATOM 0 HA VAL A 30 1.996 -23.462 11.096 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.537 -22.104 10.145 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.310 -20.107 11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.026 -21.445 12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.652 -21.071 11.980 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.028 -20.566 9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.397 -21.556 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.209 -22.239 8.429 1.00 0.00 H new ATOM 427 N VAL A 31 -1.099 -24.308 11.864 1.00 0.00 N ATOM 428 CA VAL A 31 -1.954 -24.796 12.937 1.00 0.00 C ATOM 429 C VAL A 31 -1.241 -25.943 13.653 1.00 0.00 C ATOM 430 O VAL A 31 -0.981 -25.885 14.854 1.00 0.00 O ATOM 431 CB VAL A 31 -3.307 -25.237 12.333 1.00 0.00 C ATOM 432 CG1 VAL A 31 -3.804 -26.575 12.891 1.00 0.00 C ATOM 433 CG2 VAL A 31 -4.360 -24.155 12.558 1.00 0.00 C ATOM 0 H VAL A 31 -1.549 -24.279 10.949 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.153 -24.015 13.671 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.143 -25.380 11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.757 -26.830 12.429 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.074 -27.354 12.672 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.934 -26.493 13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.309 -24.476 12.129 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.485 -23.985 13.627 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.039 -23.230 12.079 1.00 0.00 H new ATOM 443 N ILE A 32 -0.927 -26.978 12.885 1.00 0.00 N ATOM 444 CA ILE A 32 -0.240 -28.151 13.399 1.00 0.00 C ATOM 445 C ILE A 32 1.013 -27.727 14.166 1.00 0.00 C ATOM 446 O ILE A 32 1.269 -28.210 15.269 1.00 0.00 O ATOM 447 CB ILE A 32 0.120 -29.058 12.221 1.00 0.00 C ATOM 448 CG1 ILE A 32 -1.124 -29.751 11.677 1.00 0.00 C ATOM 449 CG2 ILE A 32 1.174 -30.100 12.599 1.00 0.00 C ATOM 450 CD1 ILE A 32 -0.804 -30.513 10.397 1.00 0.00 C ATOM 0 H ILE A 32 -1.142 -27.026 11.889 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.885 -28.696 14.088 1.00 0.00 H new ATOM 0 HB ILE A 32 0.545 -28.421 11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.519 -30.438 12.425 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.901 -29.012 11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.399 -30.721 11.732 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.082 -29.596 12.929 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.793 -30.726 13.406 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.707 -30.999 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.432 -29.819 9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.044 -31.267 10.603 1.00 0.00 H new ATOM 462 N VAL A 33 1.795 -26.832 13.568 1.00 0.00 N ATOM 463 CA VAL A 33 3.019 -26.353 14.177 1.00 0.00 C ATOM 464 C VAL A 33 2.726 -25.576 15.456 1.00 0.00 C ATOM 465 O VAL A 33 3.183 -25.945 16.537 1.00 0.00 O ATOM 466 CB VAL A 33 3.764 -25.465 13.190 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.089 -25.012 13.782 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.990 -26.198 11.870 1.00 0.00 C ATOM 0 H VAL A 33 1.595 -26.425 12.655 1.00 0.00 H new ATOM 0 HA VAL A 33 3.637 -27.213 14.436 1.00 0.00 H new ATOM 0 HB VAL A 33 3.154 -24.584 12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.610 -24.378 13.065 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.905 -24.449 14.697 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.703 -25.884 14.009 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.524 -25.546 11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.579 -27.097 12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.028 -26.475 11.438 1.00 0.00 H new ATOM 478 N GLY A 34 1.971 -24.491 15.324 1.00 0.00 N ATOM 479 CA GLY A 34 1.625 -23.647 16.464 1.00 0.00 C ATOM 480 C GLY A 34 0.992 -24.460 17.590 1.00 0.00 C ATOM 481 O GLY A 34 1.154 -24.133 18.766 1.00 0.00 O ATOM 0 H GLY A 34 1.585 -24.173 14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.521 -23.148 16.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.934 -22.867 16.144 1.00 0.00 H new ATOM 485 N ALA A 35 0.266 -25.511 17.228 1.00 0.00 N ATOM 486 CA ALA A 35 -0.398 -26.357 18.215 1.00 0.00 C ATOM 487 C ALA A 35 0.563 -27.399 18.775 1.00 0.00 C ATOM 488 O ALA A 35 0.467 -27.780 19.942 1.00 0.00 O ATOM 489 CB ALA A 35 -1.600 -27.050 17.581 1.00 0.00 C ATOM 0 H ALA A 35 0.122 -25.798 16.260 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.735 -25.724 19.036 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.090 -27.680 18.323 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.304 -26.300 17.220 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.266 -27.666 16.746 1.00 0.00 H new ATOM 495 N THR A 36 1.487 -27.862 17.941 1.00 0.00 N ATOM 496 CA THR A 36 2.460 -28.866 18.360 1.00 0.00 C ATOM 497 C THR A 36 3.649 -28.207 19.048 1.00 0.00 C ATOM 498 O THR A 36 3.966 -28.521 20.195 1.00 0.00 O ATOM 499 CB THR A 36 2.937 -29.665 17.150 1.00 0.00 C ATOM 500 OG1 THR A 36 1.837 -30.314 16.533 1.00 0.00 O ATOM 501 CG2 THR A 36 3.988 -30.695 17.559 1.00 0.00 C ATOM 0 H THR A 36 1.584 -27.559 16.972 1.00 0.00 H new ATOM 0 HA THR A 36 1.979 -29.540 19.069 1.00 0.00 H new ATOM 0 HB THR A 36 3.391 -28.974 16.440 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.450 -29.725 15.852 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.313 -31.252 16.680 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.844 -30.185 18.002 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.559 -31.384 18.287 1.00 0.00 H new ATOM 509 N ILE A 37 4.306 -27.297 18.339 1.00 0.00 N ATOM 510 CA ILE A 37 5.465 -26.596 18.871 1.00 0.00 C ATOM 511 C ILE A 37 5.140 -25.943 20.213 1.00 0.00 C ATOM 512 O ILE A 37 5.891 -26.085 21.173 1.00 0.00 O ATOM 513 CB ILE A 37 5.927 -25.563 17.855 1.00 0.00 C ATOM 514 CG1 ILE A 37 6.472 -26.292 16.628 1.00 0.00 C ATOM 515 CG2 ILE A 37 6.960 -24.596 18.453 1.00 0.00 C ATOM 516 CD1 ILE A 37 7.943 -26.639 16.777 1.00 0.00 C ATOM 0 H ILE A 37 4.053 -27.027 17.389 1.00 0.00 H new ATOM 0 HA ILE A 37 6.270 -27.309 19.048 1.00 0.00 H new ATOM 0 HB ILE A 37 5.079 -24.947 17.558 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.899 -27.205 16.465 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.335 -25.668 15.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.264 -23.874 17.695 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.518 -24.069 19.299 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.831 -25.157 18.790 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.287 -27.156 15.881 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.521 -25.725 16.913 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.078 -27.286 17.644 1.00 0.00 H new ATOM 528 N GLY A 38 4.024 -25.220 20.270 1.00 0.00 N ATOM 529 CA GLY A 38 3.610 -24.534 21.494 1.00 0.00 C ATOM 530 C GLY A 38 3.479 -25.506 22.661 1.00 0.00 C ATOM 531 O GLY A 38 4.170 -25.371 23.671 1.00 0.00 O ATOM 0 H GLY A 38 3.389 -25.093 19.482 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.337 -23.761 21.743 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.656 -24.033 21.327 1.00 0.00 H new ATOM 535 N ILE A 39 2.588 -26.478 22.521 1.00 0.00 N ATOM 536 CA ILE A 39 2.366 -27.469 23.570 1.00 0.00 C ATOM 537 C ILE A 39 3.680 -28.132 23.972 1.00 0.00 C ATOM 538 O ILE A 39 3.796 -28.682 25.067 1.00 0.00 O ATOM 539 CB ILE A 39 1.367 -28.519 23.089 1.00 0.00 C ATOM 540 CG1 ILE A 39 0.024 -27.866 22.771 1.00 0.00 C ATOM 541 CG2 ILE A 39 1.185 -29.618 24.139 1.00 0.00 C ATOM 542 CD1 ILE A 39 -0.991 -28.893 22.277 1.00 0.00 C ATOM 0 H ILE A 39 2.006 -26.603 21.692 1.00 0.00 H new ATOM 0 HA ILE A 39 1.958 -26.965 24.446 1.00 0.00 H new ATOM 0 HB ILE A 39 1.762 -28.974 22.181 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.362 -27.371 23.662 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.163 -27.095 22.013 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.469 -30.355 23.774 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.142 -30.104 24.326 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.814 -29.179 25.065 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.936 -28.395 22.060 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.615 -29.370 21.372 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.148 -29.649 23.047 1.00 0.00 H new ATOM 554 N LYS A 40 4.669 -28.084 23.082 1.00 0.00 N ATOM 555 CA LYS A 40 5.971 -28.688 23.353 1.00 0.00 C ATOM 556 C LYS A 40 6.923 -27.674 23.978 1.00 0.00 C ATOM 557 O LYS A 40 7.522 -27.936 25.021 1.00 0.00 O ATOM 558 CB LYS A 40 6.570 -29.230 22.059 1.00 0.00 C ATOM 559 CG LYS A 40 7.555 -30.361 22.341 1.00 0.00 C ATOM 560 CD LYS A 40 8.454 -30.628 21.138 1.00 0.00 C ATOM 561 CE LYS A 40 9.805 -31.188 21.573 1.00 0.00 C ATOM 562 NZ LYS A 40 9.704 -32.633 21.923 1.00 0.00 N ATOM 0 H LYS A 40 4.594 -27.634 22.170 1.00 0.00 H new ATOM 0 HA LYS A 40 5.829 -29.506 24.059 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.773 -29.591 21.409 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.077 -28.427 21.525 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.168 -30.105 23.205 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.007 -31.268 22.596 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.965 -31.332 20.464 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.603 -29.704 20.580 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.531 -31.056 20.771 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.174 -30.628 22.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.638 -32.986 22.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.028 -32.755 22.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.375 -33.169 21.094 1.00 0.00 H new ATOM 576 N LEU A 41 7.073 -26.521 23.331 1.00 0.00 N ATOM 577 CA LEU A 41 7.971 -25.478 23.825 1.00 0.00 C ATOM 578 C LEU A 41 7.556 -25.017 25.212 1.00 0.00 C ATOM 579 O LEU A 41 8.388 -24.865 26.099 1.00 0.00 O ATOM 580 CB LEU A 41 8.002 -24.285 22.858 1.00 0.00 C ATOM 581 CG LEU A 41 6.618 -23.700 22.601 1.00 0.00 C ATOM 582 CD1 LEU A 41 6.263 -22.650 23.653 1.00 0.00 C ATOM 583 CD2 LEU A 41 6.564 -23.086 21.203 1.00 0.00 C ATOM 0 H LEU A 41 6.587 -26.285 22.466 1.00 0.00 H new ATOM 0 HA LEU A 41 8.973 -25.902 23.888 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.650 -23.509 23.265 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.440 -24.601 21.911 1.00 0.00 H new ATOM 0 HG LEU A 41 5.887 -24.506 22.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.271 -22.249 23.446 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.270 -23.109 24.642 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.995 -21.843 23.622 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.572 -22.670 21.026 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.309 -22.294 21.124 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.772 -23.855 20.459 1.00 0.00 H new ATOM 595 N PHE A 42 6.271 -24.797 25.392 1.00 0.00 N ATOM 596 CA PHE A 42 5.736 -24.344 26.678 1.00 0.00 C ATOM 597 C PHE A 42 6.292 -25.178 27.827 1.00 0.00 C ATOM 598 O PHE A 42 6.366 -24.710 28.964 1.00 0.00 O ATOM 599 CB PHE A 42 4.216 -24.440 26.668 1.00 0.00 C ATOM 600 CG PHE A 42 3.562 -23.458 27.610 1.00 0.00 C ATOM 601 CD1 PHE A 42 3.335 -23.813 28.930 1.00 0.00 C ATOM 602 CD2 PHE A 42 3.190 -22.202 27.159 1.00 0.00 C ATOM 603 CE1 PHE A 42 2.737 -22.914 29.796 1.00 0.00 C ATOM 604 CE2 PHE A 42 2.593 -21.303 28.026 1.00 0.00 C ATOM 605 CZ PHE A 42 2.366 -21.659 29.345 1.00 0.00 C ATOM 0 H PHE A 42 5.566 -24.923 24.665 1.00 0.00 H new ATOM 0 HA PHE A 42 6.038 -23.307 26.826 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.852 -24.263 25.656 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.919 -25.452 26.942 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.625 -24.792 29.283 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.366 -21.924 26.130 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.560 -23.192 30.824 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.304 -20.324 27.674 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.900 -20.958 30.021 1.00 0.00 H new ATOM 615 N LYS A 43 6.673 -26.413 27.530 1.00 0.00 N ATOM 616 CA LYS A 43 7.214 -27.311 28.538 1.00 0.00 C ATOM 617 C LYS A 43 8.746 -27.253 28.524 1.00 0.00 C ATOM 618 O LYS A 43 9.370 -26.878 29.517 1.00 0.00 O ATOM 619 CB LYS A 43 6.675 -28.728 28.270 1.00 0.00 C ATOM 620 CG LYS A 43 7.705 -29.809 28.548 1.00 0.00 C ATOM 621 CD LYS A 43 7.030 -31.121 28.922 1.00 0.00 C ATOM 622 CE LYS A 43 6.523 -31.858 27.683 1.00 0.00 C ATOM 623 NZ LYS A 43 7.649 -32.245 26.787 1.00 0.00 N ATOM 0 H LYS A 43 6.617 -26.816 26.595 1.00 0.00 H new ATOM 0 HA LYS A 43 6.898 -27.009 29.537 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.796 -28.901 28.891 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.351 -28.799 27.232 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.331 -29.956 27.667 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.363 -29.491 29.357 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.735 -31.754 29.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.197 -30.924 29.597 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.974 -32.749 27.986 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.824 -31.222 27.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.358 -33.045 26.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.906 -31.438 26.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.470 -32.523 27.362 1.00 0.00 H new ATOM 637 N LYS A 44 9.339 -27.641 27.402 1.00 0.00 N ATOM 638 CA LYS A 44 10.794 -27.651 27.262 1.00 0.00 C ATOM 639 C LYS A 44 11.378 -26.263 27.500 1.00 0.00 C ATOM 640 O LYS A 44 12.504 -26.128 27.979 1.00 0.00 O ATOM 641 CB LYS A 44 11.168 -28.142 25.867 1.00 0.00 C ATOM 642 CG LYS A 44 10.576 -29.533 25.592 1.00 0.00 C ATOM 643 CD LYS A 44 11.564 -30.662 25.956 1.00 0.00 C ATOM 644 CE LYS A 44 12.018 -30.622 27.424 1.00 0.00 C ATOM 645 NZ LYS A 44 13.229 -29.768 27.593 1.00 0.00 N ATOM 0 H LYS A 44 8.835 -27.954 26.572 1.00 0.00 H new ATOM 0 HA LYS A 44 11.209 -28.325 28.012 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.806 -27.435 25.120 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.253 -28.180 25.770 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.657 -29.656 26.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.307 -29.611 24.539 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.095 -31.625 25.754 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.439 -30.592 25.310 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.210 -30.238 28.047 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.233 -31.634 27.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.968 -30.308 28.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.580 -29.474 26.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.984 -28.925 28.151 1.00 0.00 H new ATOM 659 N PHE A 45 10.611 -25.238 27.158 1.00 0.00 N ATOM 660 CA PHE A 45 11.048 -23.851 27.323 1.00 0.00 C ATOM 661 C PHE A 45 11.634 -23.626 28.712 1.00 0.00 C ATOM 662 O PHE A 45 12.731 -23.086 28.851 1.00 0.00 O ATOM 663 CB PHE A 45 9.876 -22.896 27.088 1.00 0.00 C ATOM 664 CG PHE A 45 10.233 -21.444 27.315 1.00 0.00 C ATOM 665 CD1 PHE A 45 11.542 -21.009 27.165 1.00 0.00 C ATOM 666 CD2 PHE A 45 9.244 -20.541 27.671 1.00 0.00 C ATOM 667 CE1 PHE A 45 11.859 -19.677 27.370 1.00 0.00 C ATOM 668 CE2 PHE A 45 9.563 -19.209 27.877 1.00 0.00 C ATOM 669 CZ PHE A 45 10.870 -18.777 27.726 1.00 0.00 C ATOM 0 H PHE A 45 9.676 -25.338 26.762 1.00 0.00 H new ATOM 0 HA PHE A 45 11.825 -23.650 26.586 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.515 -23.019 26.067 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.055 -23.169 27.751 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.315 -21.711 26.888 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.224 -20.876 27.788 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.878 -19.340 27.252 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.792 -18.506 28.156 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.117 -17.738 27.886 1.00 0.00 H new ATOM 679 N THR A 46 10.900 -24.041 29.738 1.00 0.00 N ATOM 680 CA THR A 46 11.353 -23.883 31.113 1.00 0.00 C ATOM 681 C THR A 46 10.798 -25.000 31.986 1.00 0.00 C ATOM 682 O THR A 46 11.480 -25.990 32.252 1.00 0.00 O ATOM 683 CB THR A 46 10.910 -22.527 31.658 1.00 0.00 C ATOM 684 OG1 THR A 46 9.539 -22.310 31.364 1.00 0.00 O ATOM 685 CG2 THR A 46 11.756 -21.402 31.070 1.00 0.00 C ATOM 0 H THR A 46 9.989 -24.489 29.643 1.00 0.00 H new ATOM 0 HA THR A 46 12.442 -23.935 31.129 1.00 0.00 H new ATOM 0 HB THR A 46 11.048 -22.530 32.739 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.262 -21.439 31.718 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.421 -20.446 31.473 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.803 -21.559 31.331 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.649 -21.395 29.985 1.00 0.00 H new ATOM 693 N SER A 47 9.558 -24.834 32.428 1.00 0.00 N ATOM 694 CA SER A 47 8.903 -25.826 33.274 1.00 0.00 C ATOM 695 C SER A 47 7.561 -25.296 33.757 1.00 0.00 C ATOM 696 O SER A 47 7.391 -24.089 33.937 1.00 0.00 O ATOM 697 CB SER A 47 9.790 -26.165 34.467 1.00 0.00 C ATOM 698 OG SER A 47 10.634 -27.265 34.157 1.00 0.00 O ATOM 0 H SER A 47 8.983 -24.019 32.214 1.00 0.00 H new ATOM 0 HA SER A 47 8.736 -26.731 32.690 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.394 -25.299 34.737 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.172 -26.405 35.332 1.00 0.00 H new ATOM 0 HG SER A 47 11.303 -26.988 33.497 1.00 0.00 H new ATOM 704 N LYS A 48 6.606 -26.206 33.950 1.00 0.00 N ATOM 705 CA LYS A 48 5.264 -25.855 34.396 1.00 0.00 C ATOM 706 C LYS A 48 5.293 -24.728 35.426 1.00 0.00 C ATOM 707 O LYS A 48 4.793 -23.631 35.175 1.00 0.00 O ATOM 708 CB LYS A 48 4.565 -27.079 34.994 1.00 0.00 C ATOM 709 CG LYS A 48 4.719 -28.330 34.119 1.00 0.00 C ATOM 710 CD LYS A 48 4.534 -28.029 32.630 1.00 0.00 C ATOM 711 CE LYS A 48 3.230 -27.278 32.360 1.00 0.00 C ATOM 712 NZ LYS A 48 2.124 -28.222 32.035 1.00 0.00 N ATOM 0 H LYS A 48 6.744 -27.206 33.801 1.00 0.00 H new ATOM 0 HA LYS A 48 4.709 -25.508 33.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.974 -27.280 35.984 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.505 -26.860 35.126 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.707 -28.762 34.279 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.989 -29.078 34.429 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.376 -27.436 32.272 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.539 -28.962 32.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.961 -26.685 33.234 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.372 -26.582 31.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.251 -27.686 31.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.373 -28.770 31.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.975 -28.870 32.835 1.00 0.00 H new ATOM 726 N ALA A 49 5.883 -25.005 36.585 1.00 0.00 N ATOM 727 CA ALA A 49 5.981 -24.023 37.654 1.00 0.00 C ATOM 728 C ALA A 49 7.059 -22.992 37.337 1.00 0.00 C ATOM 729 O ALA A 49 8.003 -23.274 36.599 1.00 0.00 O ATOM 730 CB ALA A 49 6.312 -24.739 38.955 1.00 0.00 C ATOM 0 H ALA A 49 6.302 -25.908 36.806 1.00 0.00 H new ATOM 0 HA ALA A 49 5.029 -23.501 37.751 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.387 -24.010 39.762 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.525 -25.456 39.186 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.262 -25.264 38.850 1.00 0.00 H new ATOM 736 N SER A 50 6.912 -21.798 37.901 1.00 0.00 N ATOM 737 CA SER A 50 7.874 -20.721 37.682 1.00 0.00 C ATOM 738 C SER A 50 7.753 -19.672 38.778 1.00 0.00 C ATOM 739 O SER A 50 6.611 -19.297 39.119 1.00 0.00 O ATOM 740 CB SER A 50 7.638 -20.079 36.319 1.00 0.00 C ATOM 741 OG SER A 50 7.948 -20.996 35.280 1.00 0.00 O ATOM 742 OXT SER A 50 8.799 -19.229 39.296 1.00 0.00 O ATOM 0 H SER A 50 6.135 -21.550 38.514 1.00 0.00 H new ATOM 0 HA SER A 50 8.880 -21.141 37.709 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.599 -19.761 36.234 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.254 -19.185 36.219 1.00 0.00 H new ATOM 0 HG SER A 50 8.354 -21.801 35.664 1.00 0.00 H new TER 748 SER A 50