USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 303 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+ 131:sc= 0.0507 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 77:sc= 0.374 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.73) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.5!) USER MOD Single : A 32 SER OG : rot -45:sc= 0.0642 USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= -0.0483 (180deg=-0.278) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.664 3.462 -10.600 1.00 0.00 N ATOM 2 CA ALA A 1 -26.787 3.658 -9.127 1.00 0.00 C ATOM 3 C ALA A 1 -25.439 4.110 -8.558 1.00 0.00 C ATOM 4 O ALA A 1 -24.399 3.742 -9.067 1.00 0.00 O ATOM 5 CB ALA A 1 -27.201 2.339 -8.470 1.00 0.00 C ATOM 0 H1 ALA A 1 -27.064 2.538 -10.862 1.00 0.00 H new ATOM 0 H2 ALA A 1 -27.181 4.216 -11.095 1.00 0.00 H new ATOM 0 H3 ALA A 1 -25.661 3.494 -10.872 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.541 4.418 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.291 2.481 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -28.160 2.016 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -26.447 1.579 -8.674 1.00 0.00 H new ATOM 13 N PRO A 2 -25.501 4.899 -7.516 1.00 0.00 N ATOM 14 CA PRO A 2 -24.298 5.426 -6.846 1.00 0.00 C ATOM 15 C PRO A 2 -23.661 4.346 -5.966 1.00 0.00 C ATOM 16 O PRO A 2 -23.915 4.270 -4.780 1.00 0.00 O ATOM 17 CB PRO A 2 -24.832 6.580 -5.993 1.00 0.00 C ATOM 18 CG PRO A 2 -26.337 6.300 -5.770 1.00 0.00 C ATOM 19 CD PRO A 2 -26.776 5.337 -6.910 1.00 0.00 C ATOM 0 HA PRO A 2 -23.525 5.745 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.303 6.637 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -24.685 7.535 -6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -26.508 5.849 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -26.913 7.225 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -27.345 4.492 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -27.411 5.842 -7.637 1.00 0.00 H new ATOM 27 N ASP A 3 -22.837 3.511 -6.537 1.00 0.00 N ATOM 28 CA ASP A 3 -22.185 2.440 -5.736 1.00 0.00 C ATOM 29 C ASP A 3 -20.748 2.826 -5.441 1.00 0.00 C ATOM 30 O ASP A 3 -20.089 2.254 -4.595 1.00 0.00 O ATOM 31 CB ASP A 3 -22.214 1.140 -6.530 1.00 0.00 C ATOM 32 CG ASP A 3 -22.107 -0.051 -5.575 1.00 0.00 C ATOM 33 OD1 ASP A 3 -20.998 -0.366 -5.176 1.00 0.00 O ATOM 34 OD2 ASP A 3 -23.135 -0.627 -5.261 1.00 0.00 O ATOM 0 H ASP A 3 -22.587 3.525 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.718 2.308 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.137 1.075 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.391 1.121 -7.244 1.00 0.00 H new ATOM 39 N VAL A 4 -20.268 3.789 -6.140 1.00 0.00 N ATOM 40 CA VAL A 4 -18.873 4.246 -5.937 1.00 0.00 C ATOM 41 C VAL A 4 -18.871 5.731 -5.563 1.00 0.00 C ATOM 42 O VAL A 4 -19.897 6.382 -5.576 1.00 0.00 O ATOM 43 CB VAL A 4 -18.096 4.005 -7.234 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.208 5.218 -8.164 1.00 0.00 C ATOM 45 CG2 VAL A 4 -16.628 3.744 -6.902 1.00 0.00 C ATOM 0 H VAL A 4 -20.785 4.294 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.399 3.694 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 4 -18.519 3.139 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.649 5.027 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -19.256 5.394 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -17.799 6.097 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.072 3.572 -7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.213 4.608 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.550 2.865 -6.262 1.00 0.00 H new ATOM 55 N SER A 5 -17.729 6.268 -5.227 1.00 0.00 N ATOM 56 CA SER A 5 -17.668 7.707 -4.845 1.00 0.00 C ATOM 57 C SER A 5 -18.847 8.027 -3.933 1.00 0.00 C ATOM 58 O SER A 5 -19.379 9.120 -3.940 1.00 0.00 O ATOM 59 CB SER A 5 -17.733 8.577 -6.100 1.00 0.00 C ATOM 60 OG SER A 5 -16.653 9.503 -6.086 1.00 0.00 O ATOM 0 H SER A 5 -16.838 5.773 -5.201 1.00 0.00 H new ATOM 0 HA SER A 5 -16.733 7.911 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.681 7.953 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.683 9.109 -6.139 1.00 0.00 H new ATOM 0 HG SER A 5 -16.691 10.062 -6.890 1.00 0.00 H new ATOM 66 N SER A 6 -19.250 7.071 -3.145 1.00 0.00 N ATOM 67 CA SER A 6 -20.390 7.281 -2.215 1.00 0.00 C ATOM 68 C SER A 6 -20.965 5.927 -1.797 1.00 0.00 C ATOM 69 O SER A 6 -22.160 5.770 -1.639 1.00 0.00 O ATOM 70 CB SER A 6 -21.479 8.104 -2.905 1.00 0.00 C ATOM 71 OG SER A 6 -21.515 9.407 -2.337 1.00 0.00 O ATOM 0 H SER A 6 -18.832 6.142 -3.106 1.00 0.00 H new ATOM 0 HA SER A 6 -20.038 7.817 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.280 8.167 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.447 7.617 -2.789 1.00 0.00 H new ATOM 0 HG SER A 6 -20.772 9.939 -2.691 1.00 0.00 H new ATOM 77 N ALA A 7 -20.124 4.948 -1.613 1.00 0.00 N ATOM 78 CA ALA A 7 -20.621 3.605 -1.201 1.00 0.00 C ATOM 79 C ALA A 7 -19.451 2.765 -0.686 1.00 0.00 C ATOM 80 O ALA A 7 -19.480 1.551 -0.723 1.00 0.00 O ATOM 81 CB ALA A 7 -21.259 2.907 -2.401 1.00 0.00 C ATOM 0 H ALA A 7 -19.113 5.019 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 7 -21.363 3.719 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -21.623 1.925 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -22.093 3.505 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -20.518 2.793 -3.192 1.00 0.00 H new ATOM 87 N LEU A 8 -18.423 3.404 -0.204 1.00 0.00 N ATOM 88 CA LEU A 8 -17.249 2.647 0.316 1.00 0.00 C ATOM 89 C LEU A 8 -16.200 3.629 0.842 1.00 0.00 C ATOM 90 O LEU A 8 -15.014 3.374 0.787 1.00 0.00 O ATOM 91 CB LEU A 8 -16.643 1.809 -0.812 1.00 0.00 C ATOM 92 CG LEU A 8 -16.273 2.720 -1.983 1.00 0.00 C ATOM 93 CD1 LEU A 8 -14.754 2.726 -2.167 1.00 0.00 C ATOM 94 CD2 LEU A 8 -16.937 2.202 -3.261 1.00 0.00 C ATOM 0 H LEU A 8 -18.344 4.419 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.569 1.991 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.758 1.283 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.355 1.051 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.618 3.733 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.491 3.376 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.279 3.094 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.408 1.713 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.674 2.851 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.591 1.189 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.019 2.197 -3.132 1.00 0.00 H new ATOM 106 N ASP A 9 -16.628 4.752 1.353 1.00 0.00 N ATOM 107 CA ASP A 9 -15.660 5.748 1.882 1.00 0.00 C ATOM 108 C ASP A 9 -15.080 5.242 3.203 1.00 0.00 C ATOM 109 O ASP A 9 -13.993 5.613 3.599 1.00 0.00 O ATOM 110 CB ASP A 9 -16.389 7.068 2.117 1.00 0.00 C ATOM 111 CG ASP A 9 -15.384 8.144 2.531 1.00 0.00 C ATOM 112 OD1 ASP A 9 -14.202 7.941 2.306 1.00 0.00 O ATOM 113 OD2 ASP A 9 -15.813 9.154 3.064 1.00 0.00 O ATOM 0 H ASP A 9 -17.609 5.021 1.426 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.850 5.895 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.910 7.373 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.145 6.944 2.893 1.00 0.00 H new ATOM 118 N LYS A 10 -15.796 4.392 3.886 1.00 0.00 N ATOM 119 CA LYS A 10 -15.290 3.857 5.177 1.00 0.00 C ATOM 120 C LYS A 10 -14.217 2.808 4.895 1.00 0.00 C ATOM 121 O LYS A 10 -13.071 2.955 5.272 1.00 0.00 O ATOM 122 CB LYS A 10 -16.443 3.205 5.939 1.00 0.00 C ATOM 123 CG LYS A 10 -16.959 4.168 7.011 1.00 0.00 C ATOM 124 CD LYS A 10 -16.858 3.503 8.385 1.00 0.00 C ATOM 125 CE LYS A 10 -17.791 2.293 8.437 1.00 0.00 C ATOM 126 NZ LYS A 10 -18.785 2.478 9.532 1.00 0.00 N ATOM 0 H LYS A 10 -16.712 4.045 3.603 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.869 4.667 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -17.247 2.947 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.108 2.276 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.377 5.090 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.993 4.441 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.831 3.192 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.125 4.215 9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.304 2.174 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.215 1.383 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.420 1.655 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.287 2.571 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.342 3.338 9.353 1.00 0.00 H new ATOM 140 N LEU A 11 -14.585 1.748 4.233 1.00 0.00 N ATOM 141 CA LEU A 11 -13.592 0.682 3.919 1.00 0.00 C ATOM 142 C LEU A 11 -12.402 1.292 3.174 1.00 0.00 C ATOM 143 O LEU A 11 -11.261 1.001 3.474 1.00 0.00 O ATOM 144 CB LEU A 11 -14.255 -0.392 3.050 1.00 0.00 C ATOM 145 CG LEU A 11 -13.249 -1.498 2.709 1.00 0.00 C ATOM 146 CD1 LEU A 11 -12.312 -1.017 1.600 1.00 0.00 C ATOM 147 CD2 LEU A 11 -12.427 -1.856 3.951 1.00 0.00 C ATOM 0 H LEU A 11 -15.531 1.573 3.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.239 0.228 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -15.110 -0.818 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.636 0.057 2.133 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.792 -2.380 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.598 -1.805 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.895 -0.772 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.774 -0.131 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.714 -2.642 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.888 -0.974 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.093 -2.207 4.739 1.00 0.00 H new ATOM 159 N LYS A 12 -12.650 2.136 2.209 1.00 0.00 N ATOM 160 CA LYS A 12 -11.519 2.754 1.466 1.00 0.00 C ATOM 161 C LYS A 12 -10.544 3.365 2.469 1.00 0.00 C ATOM 162 O LYS A 12 -9.346 3.367 2.268 1.00 0.00 O ATOM 163 CB LYS A 12 -12.052 3.845 0.536 1.00 0.00 C ATOM 164 CG LYS A 12 -10.892 4.466 -0.243 1.00 0.00 C ATOM 165 CD LYS A 12 -11.110 4.252 -1.742 1.00 0.00 C ATOM 166 CE LYS A 12 -10.399 2.972 -2.184 1.00 0.00 C ATOM 167 NZ LYS A 12 -9.182 3.326 -2.969 1.00 0.00 N ATOM 0 H LYS A 12 -13.581 2.422 1.906 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.009 1.996 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.783 3.424 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.566 4.612 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.822 5.531 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.949 4.014 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.176 4.182 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.726 5.105 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.123 2.377 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.070 2.361 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.698 2.456 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.458 3.877 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.540 3.893 -2.378 1.00 0.00 H new ATOM 181 N GLU A 13 -11.051 3.875 3.557 1.00 0.00 N ATOM 182 CA GLU A 13 -10.158 4.474 4.585 1.00 0.00 C ATOM 183 C GLU A 13 -9.437 3.349 5.330 1.00 0.00 C ATOM 184 O GLU A 13 -8.296 3.482 5.726 1.00 0.00 O ATOM 185 CB GLU A 13 -10.994 5.289 5.575 1.00 0.00 C ATOM 186 CG GLU A 13 -10.065 6.088 6.491 1.00 0.00 C ATOM 187 CD GLU A 13 -10.852 6.591 7.703 1.00 0.00 C ATOM 188 OE1 GLU A 13 -11.879 6.005 8.003 1.00 0.00 O ATOM 189 OE2 GLU A 13 -10.414 7.555 8.310 1.00 0.00 O ATOM 0 H GLU A 13 -12.046 3.902 3.778 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.429 5.128 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.659 5.964 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.624 4.626 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.234 5.463 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.637 6.930 5.947 1.00 0.00 H new ATOM 196 N PHE A 14 -10.100 2.238 5.525 1.00 0.00 N ATOM 197 CA PHE A 14 -9.462 1.102 6.244 1.00 0.00 C ATOM 198 C PHE A 14 -8.233 0.621 5.471 1.00 0.00 C ATOM 199 O PHE A 14 -7.177 0.415 6.035 1.00 0.00 O ATOM 200 CB PHE A 14 -10.461 -0.047 6.372 1.00 0.00 C ATOM 201 CG PHE A 14 -9.773 -1.245 6.983 1.00 0.00 C ATOM 202 CD1 PHE A 14 -9.329 -1.197 8.310 1.00 0.00 C ATOM 203 CD2 PHE A 14 -9.578 -2.405 6.222 1.00 0.00 C ATOM 204 CE1 PHE A 14 -8.690 -2.307 8.876 1.00 0.00 C ATOM 205 CE2 PHE A 14 -8.940 -3.515 6.789 1.00 0.00 C ATOM 206 CZ PHE A 14 -8.496 -3.466 8.115 1.00 0.00 C ATOM 0 H PHE A 14 -11.057 2.071 5.215 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.156 1.434 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.304 0.257 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.863 -0.305 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.479 -0.303 8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.920 -2.443 5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.347 -2.269 9.899 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.791 -4.409 6.203 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.004 -4.322 8.551 1.00 0.00 H new ATOM 216 N GLY A 15 -8.359 0.443 4.187 1.00 0.00 N ATOM 217 CA GLY A 15 -7.191 -0.020 3.387 1.00 0.00 C ATOM 218 C GLY A 15 -6.182 1.119 3.286 1.00 0.00 C ATOM 219 O GLY A 15 -4.989 0.923 3.388 1.00 0.00 O ATOM 0 H GLY A 15 -9.217 0.597 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.732 -0.890 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.513 -0.328 2.392 1.00 0.00 H new ATOM 223 N ASN A 16 -6.666 2.312 3.096 1.00 0.00 N ATOM 224 CA ASN A 16 -5.764 3.492 2.994 1.00 0.00 C ATOM 225 C ASN A 16 -4.635 3.362 4.019 1.00 0.00 C ATOM 226 O ASN A 16 -3.471 3.473 3.694 1.00 0.00 O ATOM 227 CB ASN A 16 -6.575 4.755 3.286 1.00 0.00 C ATOM 228 CG ASN A 16 -5.671 5.984 3.171 1.00 0.00 C ATOM 229 OD1 ASN A 16 -4.930 6.294 4.082 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.702 6.701 2.082 1.00 0.00 N ATOM 0 H ASN A 16 -7.660 2.523 3.006 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.335 3.548 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.406 4.836 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.005 4.700 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.104 7.523 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.324 6.440 1.317 1.00 0.00 H new ATOM 237 N THR A 17 -4.976 3.124 5.254 1.00 0.00 N ATOM 238 CA THR A 17 -3.937 2.981 6.309 1.00 0.00 C ATOM 239 C THR A 17 -3.052 1.759 5.997 1.00 0.00 C ATOM 240 O THR A 17 -2.470 1.686 4.934 1.00 0.00 O ATOM 241 CB THR A 17 -4.647 2.842 7.663 1.00 0.00 C ATOM 242 OG1 THR A 17 -3.686 2.707 8.701 1.00 0.00 O ATOM 243 CG2 THR A 17 -5.575 1.624 7.642 1.00 0.00 C ATOM 0 H THR A 17 -5.937 3.022 5.579 1.00 0.00 H new ATOM 0 HA THR A 17 -3.286 3.855 6.342 1.00 0.00 H new ATOM 0 HB THR A 17 -5.243 3.736 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.145 2.620 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.076 1.531 8.606 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.320 1.748 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.990 0.725 7.449 1.00 0.00 H new ATOM 251 N LEU A 18 -2.944 0.824 6.915 1.00 0.00 N ATOM 252 CA LEU A 18 -2.104 -0.408 6.724 1.00 0.00 C ATOM 253 C LEU A 18 -1.701 -0.614 5.256 1.00 0.00 C ATOM 254 O LEU A 18 -0.540 -0.749 4.954 1.00 0.00 O ATOM 255 CB LEU A 18 -2.908 -1.617 7.221 1.00 0.00 C ATOM 256 CG LEU A 18 -2.334 -2.915 6.646 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.712 -4.085 7.555 1.00 0.00 C ATOM 258 CD2 LEU A 18 -2.913 -3.150 5.249 1.00 0.00 C ATOM 0 H LEU A 18 -3.418 0.865 7.817 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.181 -0.293 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.885 -1.653 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.952 -1.513 6.927 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.249 -2.838 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.304 -5.010 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.304 -3.918 8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.798 -4.163 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.506 -4.073 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.998 -3.229 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.648 -2.315 4.600 1.00 0.00 H new ATOM 270 N GLU A 19 -2.636 -0.650 4.345 1.00 0.00 N ATOM 271 CA GLU A 19 -2.261 -0.857 2.911 1.00 0.00 C ATOM 272 C GLU A 19 -1.134 0.102 2.525 1.00 0.00 C ATOM 273 O GLU A 19 -0.042 -0.312 2.192 1.00 0.00 O ATOM 274 CB GLU A 19 -3.474 -0.605 2.014 1.00 0.00 C ATOM 275 CG GLU A 19 -3.341 -1.435 0.737 1.00 0.00 C ATOM 276 CD GLU A 19 -4.338 -0.929 -0.308 1.00 0.00 C ATOM 277 OE1 GLU A 19 -4.006 0.014 -1.007 1.00 0.00 O ATOM 278 OE2 GLU A 19 -5.417 -1.493 -0.390 1.00 0.00 O ATOM 0 H GLU A 19 -3.634 -0.546 4.526 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.922 -1.885 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.391 -0.871 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.544 0.454 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.325 -1.365 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.527 -2.487 0.953 1.00 0.00 H new ATOM 285 N ASP A 20 -1.385 1.378 2.567 1.00 0.00 N ATOM 286 CA ASP A 20 -0.318 2.356 2.204 1.00 0.00 C ATOM 287 C ASP A 20 0.963 1.990 2.952 1.00 0.00 C ATOM 288 O ASP A 20 2.061 2.233 2.491 1.00 0.00 O ATOM 289 CB ASP A 20 -0.755 3.765 2.605 1.00 0.00 C ATOM 290 CG ASP A 20 -1.499 4.422 1.441 1.00 0.00 C ATOM 291 OD1 ASP A 20 -0.860 4.707 0.441 1.00 0.00 O ATOM 292 OD2 ASP A 20 -2.694 4.629 1.569 1.00 0.00 O ATOM 0 H ASP A 20 -2.279 1.788 2.836 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.142 2.327 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.399 3.721 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.115 4.363 2.878 1.00 0.00 H new ATOM 297 N LYS A 21 0.823 1.403 4.106 1.00 0.00 N ATOM 298 CA LYS A 21 2.019 1.005 4.904 1.00 0.00 C ATOM 299 C LYS A 21 2.751 -0.123 4.179 1.00 0.00 C ATOM 300 O LYS A 21 3.960 -0.119 4.052 1.00 0.00 O ATOM 301 CB LYS A 21 1.573 0.520 6.289 1.00 0.00 C ATOM 302 CG LYS A 21 2.788 0.429 7.215 1.00 0.00 C ATOM 303 CD LYS A 21 2.923 1.729 8.010 1.00 0.00 C ATOM 304 CE LYS A 21 3.446 1.417 9.413 1.00 0.00 C ATOM 305 NZ LYS A 21 3.150 2.562 10.320 1.00 0.00 N ATOM 0 H LYS A 21 -0.075 1.179 4.536 1.00 0.00 H new ATOM 0 HA LYS A 21 2.685 1.860 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.836 1.206 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.091 -0.454 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.678 -0.416 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.691 0.252 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.604 2.411 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.957 2.231 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.979 0.508 9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.520 1.234 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.506 2.350 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.615 3.420 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.122 2.717 10.360 1.00 0.00 H new ATOM 319 N ALA A 22 2.019 -1.082 3.693 1.00 0.00 N ATOM 320 CA ALA A 22 2.647 -2.214 2.961 1.00 0.00 C ATOM 321 C ALA A 22 3.469 -1.652 1.808 1.00 0.00 C ATOM 322 O ALA A 22 4.603 -2.033 1.592 1.00 0.00 O ATOM 323 CB ALA A 22 1.549 -3.132 2.416 1.00 0.00 C ATOM 0 H ALA A 22 1.003 -1.131 3.772 1.00 0.00 H new ATOM 0 HA ALA A 22 3.292 -2.785 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.004 -3.964 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.953 -3.517 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.907 -2.569 1.738 1.00 0.00 H new ATOM 329 N TRP A 23 2.911 -0.732 1.077 1.00 0.00 N ATOM 330 CA TRP A 23 3.643 -0.122 -0.042 1.00 0.00 C ATOM 331 C TRP A 23 4.813 0.678 0.526 1.00 0.00 C ATOM 332 O TRP A 23 5.857 0.798 -0.084 1.00 0.00 O ATOM 333 CB TRP A 23 2.681 0.801 -0.770 1.00 0.00 C ATOM 334 CG TRP A 23 2.340 0.217 -2.095 1.00 0.00 C ATOM 335 CD1 TRP A 23 1.287 -0.593 -2.341 1.00 0.00 C ATOM 336 CD2 TRP A 23 3.037 0.381 -3.353 1.00 0.00 C ATOM 337 NE1 TRP A 23 1.294 -0.935 -3.683 1.00 0.00 N ATOM 338 CE2 TRP A 23 2.358 -0.355 -4.349 1.00 0.00 C ATOM 339 CE3 TRP A 23 4.183 1.097 -3.716 1.00 0.00 C ATOM 340 CZ2 TRP A 23 2.807 -0.379 -5.670 1.00 0.00 C ATOM 341 CZ3 TRP A 23 4.643 1.078 -5.043 1.00 0.00 C ATOM 342 CH2 TRP A 23 3.955 0.341 -6.019 1.00 0.00 C ATOM 0 H TRP A 23 1.965 -0.378 1.216 1.00 0.00 H new ATOM 0 HA TRP A 23 4.027 -0.875 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.776 0.940 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.132 1.785 -0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.560 -0.920 -1.612 1.00 0.00 H new ATOM 0 HE1 TRP A 23 0.601 -1.539 -4.125 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.717 1.668 -2.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 2.273 -0.948 -6.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.529 1.633 -5.313 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.311 0.329 -7.039 1.00 0.00 H new ATOM 353 N GLU A 24 4.645 1.214 1.705 1.00 0.00 N ATOM 354 CA GLU A 24 5.735 1.993 2.338 1.00 0.00 C ATOM 355 C GLU A 24 6.895 1.048 2.646 1.00 0.00 C ATOM 356 O GLU A 24 8.036 1.453 2.750 1.00 0.00 O ATOM 357 CB GLU A 24 5.220 2.607 3.636 1.00 0.00 C ATOM 358 CG GLU A 24 6.295 3.511 4.241 1.00 0.00 C ATOM 359 CD GLU A 24 6.312 4.850 3.501 1.00 0.00 C ATOM 360 OE1 GLU A 24 6.468 4.835 2.291 1.00 0.00 O ATOM 361 OE2 GLU A 24 6.168 5.869 4.158 1.00 0.00 O ATOM 0 H GLU A 24 3.790 1.142 2.257 1.00 0.00 H new ATOM 0 HA GLU A 24 6.070 2.786 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.314 3.182 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.954 1.820 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.096 3.672 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.271 3.031 4.169 1.00 0.00 H new ATOM 368 N VAL A 25 6.603 -0.216 2.789 1.00 0.00 N ATOM 369 CA VAL A 25 7.667 -1.206 3.086 1.00 0.00 C ATOM 370 C VAL A 25 8.414 -1.537 1.794 1.00 0.00 C ATOM 371 O VAL A 25 9.564 -1.929 1.813 1.00 0.00 O ATOM 372 CB VAL A 25 7.010 -2.465 3.661 1.00 0.00 C ATOM 373 CG1 VAL A 25 7.938 -3.666 3.492 1.00 0.00 C ATOM 374 CG2 VAL A 25 6.723 -2.252 5.149 1.00 0.00 C ATOM 0 H VAL A 25 5.663 -0.605 2.711 1.00 0.00 H new ATOM 0 HA VAL A 25 8.377 -0.805 3.810 1.00 0.00 H new ATOM 0 HB VAL A 25 6.079 -2.656 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.461 -4.555 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.142 -3.822 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.874 -3.479 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.255 -3.146 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.657 -2.056 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.052 -1.402 5.272 1.00 0.00 H new ATOM 384 N ILE A 26 7.773 -1.376 0.672 1.00 0.00 N ATOM 385 CA ILE A 26 8.454 -1.670 -0.614 1.00 0.00 C ATOM 386 C ILE A 26 9.672 -0.757 -0.744 1.00 0.00 C ATOM 387 O ILE A 26 10.607 -1.044 -1.464 1.00 0.00 O ATOM 388 CB ILE A 26 7.493 -1.407 -1.769 1.00 0.00 C ATOM 389 CG1 ILE A 26 6.296 -2.348 -1.648 1.00 0.00 C ATOM 390 CG2 ILE A 26 8.207 -1.656 -3.098 1.00 0.00 C ATOM 391 CD1 ILE A 26 5.153 -1.832 -2.521 1.00 0.00 C ATOM 0 H ILE A 26 6.809 -1.054 0.591 1.00 0.00 H new ATOM 0 HA ILE A 26 8.768 -2.713 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 26 7.152 -0.372 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.578 -3.354 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.974 -2.412 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.519 -1.468 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.064 -0.988 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.548 -2.690 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.298 -2.503 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.865 -0.834 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.479 -1.791 -3.560 1.00 0.00 H new ATOM 403 N ASN A 27 9.661 0.348 -0.048 1.00 0.00 N ATOM 404 CA ASN A 27 10.809 1.294 -0.122 1.00 0.00 C ATOM 405 C ASN A 27 11.907 0.857 0.854 1.00 0.00 C ATOM 406 O ASN A 27 13.063 1.191 0.687 1.00 0.00 O ATOM 407 CB ASN A 27 10.332 2.700 0.248 1.00 0.00 C ATOM 408 CG ASN A 27 10.951 3.719 -0.711 1.00 0.00 C ATOM 409 OD1 ASN A 27 11.956 4.327 -0.403 1.00 0.00 O ATOM 410 ND2 ASN A 27 10.388 3.931 -1.869 1.00 0.00 N ATOM 0 H ASN A 27 8.903 0.636 0.571 1.00 0.00 H new ATOM 0 HA ASN A 27 11.209 1.296 -1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.244 2.751 0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.615 2.933 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.792 4.608 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.544 3.420 -2.127 1.00 0.00 H new ATOM 417 N ARG A 28 11.559 0.113 1.870 1.00 0.00 N ATOM 418 CA ARG A 28 12.591 -0.339 2.848 1.00 0.00 C ATOM 419 C ARG A 28 13.165 -1.680 2.391 1.00 0.00 C ATOM 420 O ARG A 28 14.205 -2.114 2.843 1.00 0.00 O ATOM 421 CB ARG A 28 11.956 -0.501 4.232 1.00 0.00 C ATOM 422 CG ARG A 28 11.022 -1.718 4.237 1.00 0.00 C ATOM 423 CD ARG A 28 11.411 -2.656 5.384 1.00 0.00 C ATOM 424 NE ARG A 28 12.800 -3.136 5.173 1.00 0.00 N ATOM 425 CZ ARG A 28 13.130 -4.354 5.507 1.00 0.00 C ATOM 426 NH1 ARG A 28 12.350 -5.351 5.192 1.00 0.00 N ATOM 427 NH2 ARG A 28 14.241 -4.573 6.156 1.00 0.00 N ATOM 0 H ARG A 28 10.608 -0.200 2.065 1.00 0.00 H new ATOM 0 HA ARG A 28 13.388 0.403 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.733 -0.625 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.398 0.398 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.987 -1.395 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.088 -2.244 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.335 -2.134 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.724 -3.501 5.427 1.00 0.00 H new ATOM 0 HE ARG A 28 13.498 -2.513 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.482 -5.179 4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.608 -6.303 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.850 -3.793 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.500 -5.524 6.418 1.00 0.00 H new ATOM 441 N ILE A 29 12.481 -2.339 1.500 1.00 0.00 N ATOM 442 CA ILE A 29 12.959 -3.659 1.004 1.00 0.00 C ATOM 443 C ILE A 29 13.530 -3.491 -0.407 1.00 0.00 C ATOM 444 O ILE A 29 14.368 -4.234 -0.866 1.00 0.00 O ATOM 445 CB ILE A 29 11.763 -4.610 0.941 1.00 0.00 C ATOM 446 CG1 ILE A 29 11.431 -5.107 2.350 1.00 0.00 C ATOM 447 CG2 ILE A 29 12.081 -5.808 0.037 1.00 0.00 C ATOM 448 CD1 ILE A 29 10.007 -5.664 2.373 1.00 0.00 C ATOM 0 H ILE A 29 11.604 -2.017 1.090 1.00 0.00 H new ATOM 0 HA ILE A 29 13.729 -4.054 1.667 1.00 0.00 H new ATOM 0 HB ILE A 29 10.908 -4.074 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 29 12.139 -5.879 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 29 11.525 -4.291 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.220 -6.476 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 29 12.307 -5.455 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.942 -6.346 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.771 -6.018 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.305 -4.880 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.929 -6.492 1.669 1.00 0.00 H new ATOM 460 N LYS A 30 13.036 -2.529 -1.097 1.00 0.00 N ATOM 461 CA LYS A 30 13.479 -2.283 -2.499 1.00 0.00 C ATOM 462 C LYS A 30 14.861 -1.643 -2.515 1.00 0.00 C ATOM 463 O LYS A 30 15.753 -2.083 -3.213 1.00 0.00 O ATOM 464 CB LYS A 30 12.483 -1.348 -3.188 1.00 0.00 C ATOM 465 CG LYS A 30 13.032 -0.938 -4.556 1.00 0.00 C ATOM 466 CD LYS A 30 11.995 -0.082 -5.287 1.00 0.00 C ATOM 467 CE LYS A 30 12.541 1.336 -5.471 1.00 0.00 C ATOM 468 NZ LYS A 30 12.958 1.527 -6.889 1.00 0.00 N ATOM 0 H LYS A 30 12.327 -1.881 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 30 13.524 -3.236 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.521 -1.846 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.312 -0.464 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.960 -0.379 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.268 -1.824 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.763 -0.522 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.065 -0.054 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.779 2.068 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.389 1.500 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.329 2.490 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.698 0.837 -7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.138 1.387 -7.514 1.00 0.00 H new ATOM 482 N GLN A 31 15.042 -0.600 -1.766 1.00 0.00 N ATOM 483 CA GLN A 31 16.359 0.079 -1.754 1.00 0.00 C ATOM 484 C GLN A 31 17.286 -0.591 -0.738 1.00 0.00 C ATOM 485 O GLN A 31 18.493 -0.471 -0.821 1.00 0.00 O ATOM 486 CB GLN A 31 16.163 1.555 -1.392 1.00 0.00 C ATOM 487 CG GLN A 31 15.923 1.701 0.113 1.00 0.00 C ATOM 488 CD GLN A 31 17.042 2.543 0.729 1.00 0.00 C ATOM 489 OE1 GLN A 31 18.019 2.849 0.073 1.00 0.00 O ATOM 490 NE2 GLN A 31 16.942 2.933 1.970 1.00 0.00 N ATOM 0 H GLN A 31 14.333 -0.187 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 31 16.814 0.005 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.042 2.129 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.317 1.964 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.957 2.172 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.891 0.719 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.123 2.677 2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.683 3.494 2.389 1.00 0.00 H new ATOM 499 N SER A 32 16.746 -1.279 0.233 1.00 0.00 N ATOM 500 CA SER A 32 17.616 -1.919 1.241 1.00 0.00 C ATOM 501 C SER A 32 17.472 -3.436 1.178 1.00 0.00 C ATOM 502 O SER A 32 18.101 -4.151 1.931 1.00 0.00 O ATOM 503 CB SER A 32 17.186 -1.425 2.612 1.00 0.00 C ATOM 504 OG SER A 32 18.237 -1.634 3.546 1.00 0.00 O ATOM 0 H SER A 32 15.745 -1.421 0.365 1.00 0.00 H new ATOM 0 HA SER A 32 18.658 -1.664 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.933 -0.366 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.289 -1.953 2.935 1.00 0.00 H new ATOM 0 HG SER A 32 18.611 -2.531 3.422 1.00 0.00 H new ATOM 510 N GLU A 33 16.671 -3.937 0.279 1.00 0.00 N ATOM 511 CA GLU A 33 16.513 -5.399 0.178 1.00 0.00 C ATOM 512 C GLU A 33 16.304 -5.823 -1.275 1.00 0.00 C ATOM 513 O GLU A 33 15.994 -6.964 -1.556 1.00 0.00 O ATOM 514 CB GLU A 33 15.345 -5.889 1.044 1.00 0.00 C ATOM 515 CG GLU A 33 15.601 -5.518 2.504 1.00 0.00 C ATOM 516 CD GLU A 33 15.120 -6.651 3.412 1.00 0.00 C ATOM 517 OE1 GLU A 33 14.818 -7.712 2.892 1.00 0.00 O ATOM 518 OE2 GLU A 33 15.061 -6.438 4.612 1.00 0.00 O ATOM 0 H GLU A 33 16.123 -3.391 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 33 17.431 -5.857 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.412 -5.441 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.234 -6.969 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.664 -5.337 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.080 -4.593 2.752 1.00 0.00 H new ATOM 525 N PHE A 34 16.463 -4.922 -2.202 1.00 0.00 N ATOM 526 CA PHE A 34 16.263 -5.286 -3.621 1.00 0.00 C ATOM 527 C PHE A 34 17.318 -4.592 -4.492 1.00 0.00 C ATOM 528 O PHE A 34 16.981 -3.885 -5.420 1.00 0.00 O ATOM 529 CB PHE A 34 14.878 -4.817 -4.026 1.00 0.00 C ATOM 530 CG PHE A 34 14.362 -5.660 -5.166 1.00 0.00 C ATOM 531 CD1 PHE A 34 14.669 -5.314 -6.486 1.00 0.00 C ATOM 532 CD2 PHE A 34 13.576 -6.789 -4.902 1.00 0.00 C ATOM 533 CE1 PHE A 34 14.190 -6.095 -7.545 1.00 0.00 C ATOM 534 CE2 PHE A 34 13.097 -7.571 -5.961 1.00 0.00 C ATOM 535 CZ PHE A 34 13.404 -7.224 -7.282 1.00 0.00 C ATOM 0 H PHE A 34 16.723 -3.950 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 34 16.359 -6.363 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 34 14.199 -4.885 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 34 14.912 -3.769 -4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.276 -4.444 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 34 13.339 -7.056 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.427 -5.827 -8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.491 -8.442 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.035 -7.827 -8.098 1.00 0.00 H new ATOM 545 N PRO A 35 18.567 -4.820 -4.169 1.00 0.00 N ATOM 546 CA PRO A 35 19.696 -4.231 -4.911 1.00 0.00 C ATOM 547 C PRO A 35 19.900 -4.962 -6.241 1.00 0.00 C ATOM 548 O PRO A 35 20.181 -4.357 -7.257 1.00 0.00 O ATOM 549 CB PRO A 35 20.892 -4.448 -3.981 1.00 0.00 C ATOM 550 CG PRO A 35 20.509 -5.619 -3.047 1.00 0.00 C ATOM 551 CD PRO A 35 18.970 -5.684 -3.039 1.00 0.00 C ATOM 0 HA PRO A 35 19.543 -3.181 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 35 21.790 -4.684 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 35 21.106 -3.547 -3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 35 20.935 -6.556 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.896 -5.456 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.613 -6.705 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.561 -5.323 -2.095 1.00 0.00 H new ATOM 559 N ALA A 36 19.762 -6.260 -6.243 1.00 0.00 N ATOM 560 CA ALA A 36 19.948 -7.027 -7.507 1.00 0.00 C ATOM 561 C ALA A 36 21.436 -7.069 -7.862 1.00 0.00 C ATOM 562 O ALA A 36 21.901 -6.344 -8.719 1.00 0.00 O ATOM 563 CB ALA A 36 19.174 -6.346 -8.637 1.00 0.00 C ATOM 0 H ALA A 36 19.529 -6.822 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 36 19.576 -8.043 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.310 -6.907 -9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.114 -6.315 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.545 -5.330 -8.771 1.00 0.00 H new ATOM 569 N LYS A 37 22.188 -7.913 -7.208 1.00 0.00 N ATOM 570 CA LYS A 37 23.642 -8.002 -7.506 1.00 0.00 C ATOM 571 C LYS A 37 23.845 -8.252 -9.001 1.00 0.00 C ATOM 572 O LYS A 37 24.178 -7.355 -9.750 1.00 0.00 O ATOM 573 CB LYS A 37 24.242 -9.158 -6.707 1.00 0.00 C ATOM 574 CG LYS A 37 25.727 -9.299 -7.046 1.00 0.00 C ATOM 575 CD LYS A 37 26.533 -8.271 -6.250 1.00 0.00 C ATOM 576 CE LYS A 37 27.738 -8.956 -5.603 1.00 0.00 C ATOM 577 NZ LYS A 37 27.269 -9.870 -4.523 1.00 0.00 N ATOM 0 H LYS A 37 21.855 -8.545 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 37 24.133 -7.069 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 37 24.118 -8.978 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 37 23.716 -10.085 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 37 26.070 -10.307 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 37 25.883 -9.150 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 37 26.867 -7.468 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 37 25.906 -7.816 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 37 28.296 -9.517 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 37 28.417 -8.209 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 28.017 -9.976 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 26.418 -9.472 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 27.044 -10.801 -4.929 1.00 0.00 H new ATOM 591 N THR A 38 23.646 -9.464 -9.442 1.00 0.00 N ATOM 592 CA THR A 38 23.829 -9.769 -10.889 1.00 0.00 C ATOM 593 C THR A 38 22.582 -10.479 -11.422 1.00 0.00 C ATOM 594 O THR A 38 22.738 -11.401 -12.205 1.00 0.00 O ATOM 595 CB THR A 38 25.048 -10.676 -11.070 1.00 0.00 C ATOM 596 OG1 THR A 38 26.020 -10.362 -10.082 1.00 0.00 O ATOM 597 CG2 THR A 38 25.645 -10.462 -12.461 1.00 0.00 C ATOM 598 OXT THR A 38 21.492 -10.088 -11.037 1.00 0.00 O ATOM 0 H THR A 38 23.365 -10.255 -8.863 1.00 0.00 H new ATOM 0 HA THR A 38 23.982 -8.841 -11.439 1.00 0.00 H new ATOM 0 HB THR A 38 24.745 -11.718 -10.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.801 -10.943 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.513 -11.109 -12.588 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.899 -10.703 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.949 -9.421 -12.570 1.00 0.00 H new TER 606 THR A 38