USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 SER N :NH3+ 149:sc= 0.0705 (180deg=0.00199) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0728 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 27:sc= 0.654 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -27.140 2.149 -4.308 1.00 10.00 N ATOM 2 CA SER A 1 -26.874 0.778 -4.842 1.00 10.00 C ATOM 3 C SER A 1 -25.363 0.528 -4.946 1.00 10.00 C ATOM 4 O SER A 1 -24.833 -0.366 -4.315 1.00 10.00 O ATOM 5 CB SER A 1 -27.524 0.750 -6.228 1.00 10.00 C ATOM 6 OG SER A 1 -28.911 1.035 -6.103 1.00 10.00 O ATOM 0 H1 SER A 1 -28.031 2.510 -4.706 1.00 10.00 H new ATOM 0 H2 SER A 1 -27.214 2.109 -3.271 1.00 10.00 H new ATOM 0 H3 SER A 1 -26.360 2.783 -4.575 1.00 10.00 H new ATOM 0 HA SER A 1 -27.277 0.001 -4.192 1.00 10.00 H new ATOM 0 HB2 SER A 1 -27.048 1.482 -6.880 1.00 10.00 H new ATOM 0 HB3 SER A 1 -27.382 -0.227 -6.689 1.00 10.00 H new ATOM 0 HG SER A 1 -29.329 1.019 -6.989 1.00 10.00 H new ATOM 14 N GLY A 2 -24.667 1.312 -5.736 1.00 10.00 N ATOM 15 CA GLY A 2 -23.193 1.120 -5.879 1.00 10.00 C ATOM 16 C GLY A 2 -22.460 2.008 -4.870 1.00 10.00 C ATOM 17 O GLY A 2 -22.718 3.193 -4.772 1.00 10.00 O ATOM 0 H GLY A 2 -25.059 2.076 -6.287 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.934 0.074 -5.714 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.880 1.369 -6.893 1.00 10.00 H new ATOM 21 N SER A 3 -21.544 1.442 -4.120 1.00 10.00 N ATOM 22 CA SER A 3 -20.786 2.248 -3.115 1.00 10.00 C ATOM 23 C SER A 3 -19.303 2.312 -3.498 1.00 10.00 C ATOM 24 O SER A 3 -18.599 1.319 -3.454 1.00 10.00 O ATOM 25 CB SER A 3 -20.968 1.508 -1.786 1.00 10.00 C ATOM 26 OG SER A 3 -20.121 2.087 -0.799 1.00 10.00 O ATOM 0 H SER A 3 -21.290 0.455 -4.162 1.00 10.00 H new ATOM 0 HA SER A 3 -21.144 3.276 -3.058 1.00 10.00 H new ATOM 0 HB2 SER A 3 -22.008 1.565 -1.466 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.730 0.452 -1.910 1.00 10.00 H new ATOM 0 HG SER A 3 -20.239 1.614 0.051 1.00 10.00 H new ATOM 32 N TRP A 4 -18.824 3.474 -3.872 1.00 10.00 N ATOM 33 CA TRP A 4 -17.383 3.607 -4.256 1.00 10.00 C ATOM 34 C TRP A 4 -16.485 3.483 -3.015 1.00 10.00 C ATOM 35 O TRP A 4 -15.371 3.002 -3.100 1.00 10.00 O ATOM 36 CB TRP A 4 -17.255 4.999 -4.882 1.00 10.00 C ATOM 37 CG TRP A 4 -15.895 5.159 -5.490 1.00 10.00 C ATOM 38 CD1 TRP A 4 -15.236 4.204 -6.186 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.022 6.326 -5.470 1.00 10.00 C ATOM 40 NE1 TRP A 4 -14.014 4.708 -6.589 1.00 10.00 N ATOM 41 CE2 TRP A 4 -13.835 6.012 -6.175 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.142 7.613 -4.914 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -12.805 6.941 -6.322 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.107 8.551 -5.062 1.00 10.00 C ATOM 45 CH2 TRP A 4 -12.942 8.215 -5.764 1.00 10.00 C ATOM 0 H TRP A 4 -19.368 4.335 -3.928 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.072 2.825 -4.949 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.022 5.137 -5.644 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.417 5.765 -4.124 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -15.605 3.210 -6.393 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -13.327 4.180 -7.127 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.036 7.881 -4.370 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -11.908 6.678 -6.863 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.210 9.537 -4.632 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.150 8.941 -5.874 1.00 10.00 H new ATOM 56 N LEU A 5 -16.963 3.906 -1.866 1.00 10.00 N ATOM 57 CA LEU A 5 -16.138 3.802 -0.618 1.00 10.00 C ATOM 58 C LEU A 5 -15.730 2.343 -0.380 1.00 10.00 C ATOM 59 O LEU A 5 -14.612 2.061 0.009 1.00 10.00 O ATOM 60 CB LEU A 5 -17.047 4.298 0.510 1.00 10.00 C ATOM 61 CG LEU A 5 -17.105 5.829 0.486 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.427 6.300 1.095 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.939 6.398 1.298 1.00 10.00 C ATOM 0 H LEU A 5 -17.887 4.318 -1.739 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.220 4.386 -0.680 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.048 3.884 0.393 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.670 3.953 1.473 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.035 6.178 -0.544 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -18.468 7.389 1.078 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -19.258 5.896 0.517 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.498 5.950 2.125 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.981 7.487 1.281 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.008 6.049 2.328 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.996 6.064 0.864 1.00 10.00 H new ATOM 75 N ARG A 6 -16.626 1.417 -0.633 1.00 10.00 N ATOM 76 CA ARG A 6 -16.296 -0.031 -0.448 1.00 10.00 C ATOM 77 C ARG A 6 -15.081 -0.400 -1.310 1.00 10.00 C ATOM 78 O ARG A 6 -14.244 -1.188 -0.914 1.00 10.00 O ATOM 79 CB ARG A 6 -17.542 -0.788 -0.922 1.00 10.00 C ATOM 80 CG ARG A 6 -17.962 -1.811 0.137 1.00 10.00 C ATOM 81 CD ARG A 6 -17.737 -3.227 -0.400 1.00 10.00 C ATOM 82 NE ARG A 6 -16.334 -3.564 -0.024 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.084 -4.646 0.664 1.00 10.00 C ATOM 84 NH1 ARG A 6 -16.261 -4.651 1.960 1.00 10.00 N ATOM 85 NH2 ARG A 6 -15.659 -5.721 0.055 1.00 10.00 N ATOM 0 H ARG A 6 -17.574 1.604 -0.960 1.00 10.00 H new ATOM 0 HA ARG A 6 -16.045 -0.273 0.585 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -18.356 -0.087 -1.107 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.335 -1.292 -1.866 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.386 -1.662 1.050 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -19.012 -1.672 0.396 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.443 -3.932 0.038 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.876 -3.266 -1.480 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.569 -2.950 -0.304 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -16.594 -3.811 2.432 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -16.066 -5.495 2.498 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.523 -5.714 -0.956 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.463 -6.567 0.590 1.00 10.00 H new ATOM 99 N ASP A 7 -14.980 0.186 -2.481 1.00 10.00 N ATOM 100 CA ASP A 7 -13.821 -0.093 -3.383 1.00 10.00 C ATOM 101 C ASP A 7 -12.595 0.709 -2.918 1.00 10.00 C ATOM 102 O ASP A 7 -11.477 0.228 -2.962 1.00 10.00 O ATOM 103 CB ASP A 7 -14.292 0.367 -4.772 1.00 10.00 C ATOM 104 CG ASP A 7 -13.105 0.448 -5.739 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.452 -0.565 -5.936 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.875 1.522 -6.274 1.00 10.00 O ATOM 0 H ASP A 7 -15.659 0.851 -2.851 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.525 -1.142 -3.385 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.038 -0.328 -5.159 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.774 1.342 -4.695 1.00 10.00 H new ATOM 111 N ILE A 8 -12.803 1.928 -2.469 1.00 10.00 N ATOM 112 CA ILE A 8 -11.659 2.774 -1.990 1.00 10.00 C ATOM 113 C ILE A 8 -10.886 2.048 -0.877 1.00 10.00 C ATOM 114 O ILE A 8 -9.669 2.088 -0.833 1.00 10.00 O ATOM 115 CB ILE A 8 -12.305 4.061 -1.451 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.811 4.914 -2.621 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.272 4.865 -0.652 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.765 5.993 -2.101 1.00 10.00 C ATOM 0 H ILE A 8 -13.719 2.374 -2.414 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.944 2.983 -2.785 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.140 3.795 -0.803 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.969 5.377 -3.136 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.322 4.283 -3.348 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.735 5.776 -0.272 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.912 4.265 0.184 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.434 5.126 -1.299 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.122 6.596 -2.936 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.614 5.521 -1.606 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.240 6.631 -1.390 1.00 10.00 H new ATOM 130 N TRP A 9 -11.582 1.382 0.016 1.00 10.00 N ATOM 131 CA TRP A 9 -10.888 0.651 1.124 1.00 10.00 C ATOM 132 C TRP A 9 -9.965 -0.432 0.549 1.00 10.00 C ATOM 133 O TRP A 9 -8.872 -0.649 1.041 1.00 10.00 O ATOM 134 CB TRP A 9 -12.007 0.016 1.956 1.00 10.00 C ATOM 135 CG TRP A 9 -11.420 -0.610 3.183 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.574 -1.906 3.542 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.589 0.004 4.211 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.889 -2.125 4.725 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.267 -0.978 5.176 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.089 1.306 4.398 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.476 -0.681 6.288 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.293 1.609 5.514 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.988 0.617 6.457 1.00 10.00 C ATOM 0 H TRP A 9 -12.600 1.314 0.025 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.266 1.315 1.724 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.741 0.772 2.236 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.532 -0.736 1.366 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.138 -2.647 2.996 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.849 -3.024 5.205 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.319 2.077 3.678 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.243 -1.449 7.011 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.914 2.611 5.647 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.376 0.856 7.314 1.00 10.00 H new ATOM 154 N ASP A 10 -10.394 -1.102 -0.494 1.00 10.00 N ATOM 155 CA ASP A 10 -9.539 -2.164 -1.112 1.00 10.00 C ATOM 156 C ASP A 10 -8.256 -1.537 -1.670 1.00 10.00 C ATOM 157 O ASP A 10 -7.176 -2.074 -1.515 1.00 10.00 O ATOM 158 CB ASP A 10 -10.391 -2.758 -2.238 1.00 10.00 C ATOM 159 CG ASP A 10 -9.667 -3.958 -2.852 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.626 -4.995 -2.208 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.174 -3.821 -3.959 1.00 10.00 O ATOM 0 H ASP A 10 -11.298 -0.959 -0.943 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.236 -2.927 -0.395 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.362 -3.066 -1.849 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.579 -2.004 -3.002 1.00 10.00 H new ATOM 166 N TRP A 11 -8.369 -0.394 -2.302 1.00 10.00 N ATOM 167 CA TRP A 11 -7.159 0.287 -2.854 1.00 10.00 C ATOM 168 C TRP A 11 -6.245 0.736 -1.705 1.00 10.00 C ATOM 169 O TRP A 11 -5.035 0.626 -1.788 1.00 10.00 O ATOM 170 CB TRP A 11 -7.694 1.493 -3.631 1.00 10.00 C ATOM 171 CG TRP A 11 -6.549 2.318 -4.122 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.825 2.060 -5.234 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.978 3.521 -3.531 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.849 3.030 -5.366 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.903 3.953 -4.340 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.290 4.270 -2.382 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.161 5.091 -4.022 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.545 5.415 -2.058 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.482 5.825 -2.876 1.00 10.00 C ATOM 0 H TRP A 11 -9.249 0.097 -2.459 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.568 -0.368 -3.494 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.301 1.157 -4.472 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.341 2.093 -2.991 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.983 1.232 -5.909 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.172 3.060 -6.128 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.107 3.963 -1.746 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.345 5.403 -4.657 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.792 5.984 -1.174 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.912 6.706 -2.621 1.00 10.00 H new ATOM 190 N ILE A 12 -6.817 1.227 -0.628 1.00 10.00 N ATOM 191 CA ILE A 12 -5.980 1.664 0.536 1.00 10.00 C ATOM 192 C ILE A 12 -5.160 0.467 1.043 1.00 10.00 C ATOM 193 O ILE A 12 -4.007 0.604 1.411 1.00 10.00 O ATOM 194 CB ILE A 12 -6.980 2.145 1.601 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.548 3.507 1.185 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.276 2.283 2.955 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.763 3.846 2.053 1.00 10.00 C ATOM 0 H ILE A 12 -7.823 1.343 -0.506 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.275 2.455 0.280 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.787 1.418 1.689 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.785 4.278 1.293 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.834 3.487 0.133 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.991 2.624 3.704 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.870 1.317 3.254 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.465 3.007 2.871 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.164 4.815 1.755 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.528 3.081 1.923 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.463 3.884 3.100 1.00 10.00 H new ATOM 209 N CYS A 13 -5.744 -0.708 1.033 1.00 10.00 N ATOM 210 CA CYS A 13 -5.002 -1.925 1.482 1.00 10.00 C ATOM 211 C CYS A 13 -3.886 -2.243 0.476 1.00 10.00 C ATOM 212 O CYS A 13 -2.812 -2.680 0.847 1.00 10.00 O ATOM 213 CB CYS A 13 -6.048 -3.044 1.508 1.00 10.00 C ATOM 214 SG CYS A 13 -5.347 -4.510 2.304 1.00 10.00 S ATOM 0 H CYS A 13 -6.704 -0.875 0.732 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.532 -1.797 2.457 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.935 -2.714 2.048 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.364 -3.285 0.493 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.236 -5.458 2.327 1.00 10.00 H new ATOM 220 N GLU A 14 -4.134 -2.007 -0.794 1.00 10.00 N ATOM 221 CA GLU A 14 -3.095 -2.271 -1.837 1.00 10.00 C ATOM 222 C GLU A 14 -1.862 -1.402 -1.574 1.00 10.00 C ATOM 223 O GLU A 14 -0.744 -1.882 -1.551 1.00 10.00 O ATOM 224 CB GLU A 14 -3.755 -1.877 -3.162 1.00 10.00 C ATOM 225 CG GLU A 14 -4.001 -3.124 -4.018 1.00 10.00 C ATOM 226 CD GLU A 14 -5.436 -3.104 -4.559 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.811 -2.112 -5.166 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.134 -4.085 -4.362 1.00 10.00 O ATOM 0 H GLU A 14 -5.017 -1.641 -1.151 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.763 -3.309 -1.841 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.699 -1.366 -2.970 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.117 -1.176 -3.701 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.291 -3.156 -4.844 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.839 -4.023 -3.423 1.00 10.00 H new ATOM 235 N VAL A 15 -2.069 -0.126 -1.367 1.00 10.00 N ATOM 236 CA VAL A 15 -0.922 0.801 -1.094 1.00 10.00 C ATOM 237 C VAL A 15 -0.170 0.350 0.167 1.00 10.00 C ATOM 238 O VAL A 15 1.042 0.443 0.239 1.00 10.00 O ATOM 239 CB VAL A 15 -1.553 2.185 -0.883 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.455 3.206 -0.565 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.290 2.618 -2.156 1.00 10.00 C ATOM 0 H VAL A 15 -2.987 0.318 -1.375 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.200 0.812 -1.911 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.258 2.133 -0.054 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.904 4.188 -0.415 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.070 2.905 0.341 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.250 3.252 -1.395 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.736 3.600 -2.002 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.585 2.666 -2.986 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.073 1.896 -2.386 1.00 10.00 H new ATOM 251 N LEU A 16 -0.880 -0.144 1.155 1.00 10.00 N ATOM 252 CA LEU A 16 -0.208 -0.614 2.407 1.00 10.00 C ATOM 253 C LEU A 16 0.701 -1.809 2.095 1.00 10.00 C ATOM 254 O LEU A 16 1.809 -1.901 2.589 1.00 10.00 O ATOM 255 CB LEU A 16 -1.346 -1.029 3.345 1.00 10.00 C ATOM 256 CG LEU A 16 -0.812 -1.169 4.775 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.824 -0.579 5.761 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.593 -2.649 5.097 1.00 10.00 C ATOM 0 H LEU A 16 -1.895 -0.241 1.147 1.00 10.00 H new ATOM 0 HA LEU A 16 0.419 0.157 2.855 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.144 -0.287 3.315 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.777 -1.974 3.013 1.00 10.00 H new ATOM 0 HG LEU A 16 0.134 -0.634 4.861 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.443 -0.679 6.777 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.980 0.476 5.535 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.770 -1.113 5.674 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.213 -2.748 6.114 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.538 -3.184 5.009 1.00 10.00 H new ATOM 0 HD23 LEU A 16 0.129 -3.071 4.398 1.00 10.00 H new ATOM 270 N SER A 17 0.243 -2.718 1.266 1.00 10.00 N ATOM 271 CA SER A 17 1.081 -3.903 0.905 1.00 10.00 C ATOM 272 C SER A 17 2.348 -3.440 0.176 1.00 10.00 C ATOM 273 O SER A 17 3.429 -3.946 0.418 1.00 10.00 O ATOM 274 CB SER A 17 0.207 -4.755 -0.017 1.00 10.00 C ATOM 275 OG SER A 17 -0.463 -5.741 0.757 1.00 10.00 O ATOM 0 H SER A 17 -0.676 -2.689 0.824 1.00 10.00 H new ATOM 0 HA SER A 17 1.401 -4.466 1.782 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.518 -4.127 -0.534 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.820 -5.231 -0.782 1.00 10.00 H new ATOM 0 HG SER A 17 -1.026 -6.289 0.172 1.00 10.00 H new ATOM 281 N ASP A 18 2.224 -2.469 -0.701 1.00 10.00 N ATOM 282 CA ASP A 18 3.427 -1.960 -1.425 1.00 10.00 C ATOM 283 C ASP A 18 4.375 -1.271 -0.440 1.00 10.00 C ATOM 284 O ASP A 18 5.572 -1.326 -0.599 1.00 10.00 O ATOM 285 CB ASP A 18 2.907 -0.957 -2.460 1.00 10.00 C ATOM 286 CG ASP A 18 4.090 -0.210 -3.097 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.988 -0.873 -3.597 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.080 1.009 -3.068 1.00 10.00 O ATOM 0 H ASP A 18 1.345 -2.012 -0.943 1.00 10.00 H new ATOM 0 HA ASP A 18 3.982 -2.767 -1.903 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.336 -1.477 -3.229 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.230 -0.247 -1.985 1.00 10.00 H new ATOM 293 N PHE A 19 3.848 -0.635 0.585 1.00 10.00 N ATOM 294 CA PHE A 19 4.732 0.043 1.588 1.00 10.00 C ATOM 295 C PHE A 19 5.817 -0.930 2.068 1.00 10.00 C ATOM 296 O PHE A 19 6.942 -0.541 2.325 1.00 10.00 O ATOM 297 CB PHE A 19 3.808 0.432 2.746 1.00 10.00 C ATOM 298 CG PHE A 19 3.980 1.901 3.060 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.742 2.865 2.070 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.380 2.301 4.342 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.903 4.224 2.362 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.541 3.662 4.633 1.00 10.00 C ATOM 303 CZ PHE A 19 4.303 4.623 3.644 1.00 10.00 C ATOM 0 H PHE A 19 2.848 -0.558 0.768 1.00 10.00 H new ATOM 0 HA PHE A 19 5.240 0.913 1.170 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.771 0.225 2.482 1.00 10.00 H new ATOM 0 HB3 PHE A 19 4.039 -0.168 3.626 1.00 10.00 H new ATOM 0 HD1 PHE A 19 3.434 2.558 1.081 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.564 1.560 5.106 1.00 10.00 H new ATOM 0 HE1 PHE A 19 3.719 4.966 1.599 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.849 3.970 5.621 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.428 5.672 3.869 1.00 10.00 H new ATOM 313 N LYS A 20 5.489 -2.197 2.161 1.00 10.00 N ATOM 314 CA LYS A 20 6.500 -3.208 2.592 1.00 10.00 C ATOM 315 C LYS A 20 7.612 -3.303 1.538 1.00 10.00 C ATOM 316 O LYS A 20 8.785 -3.268 1.858 1.00 10.00 O ATOM 317 CB LYS A 20 5.729 -4.528 2.687 1.00 10.00 C ATOM 318 CG LYS A 20 6.497 -5.507 3.580 1.00 10.00 C ATOM 319 CD LYS A 20 5.789 -5.631 4.932 1.00 10.00 C ATOM 320 CE LYS A 20 6.192 -4.457 5.832 1.00 10.00 C ATOM 321 NZ LYS A 20 5.516 -4.716 7.137 1.00 10.00 N ATOM 0 H LYS A 20 4.563 -2.573 1.956 1.00 10.00 H new ATOM 0 HA LYS A 20 6.973 -2.952 3.540 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.734 -4.351 3.095 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.595 -4.955 1.693 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.558 -6.483 3.099 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.520 -5.158 3.724 1.00 10.00 H new ATOM 0 HD2 LYS A 20 4.708 -5.639 4.789 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.054 -6.575 5.408 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.274 -4.406 5.952 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.874 -3.506 5.405 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.746 -3.952 7.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.487 -4.752 6.994 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.844 -5.624 7.524 1.00 10.00 H new ATOM 335 N THR A 21 7.247 -3.408 0.281 1.00 10.00 N ATOM 336 CA THR A 21 8.277 -3.488 -0.803 1.00 10.00 C ATOM 337 C THR A 21 8.850 -2.097 -1.091 1.00 10.00 C ATOM 338 O THR A 21 10.010 -1.960 -1.419 1.00 10.00 O ATOM 339 CB THR A 21 7.545 -4.037 -2.037 1.00 10.00 C ATOM 340 OG1 THR A 21 6.224 -3.514 -2.090 1.00 10.00 O ATOM 341 CG2 THR A 21 7.487 -5.563 -1.959 1.00 10.00 C ATOM 0 H THR A 21 6.279 -3.442 -0.040 1.00 10.00 H new ATOM 0 HA THR A 21 9.113 -4.127 -0.520 1.00 10.00 H new ATOM 0 HB THR A 21 8.084 -3.737 -2.935 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.196 -2.649 -1.630 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.968 -5.953 -2.835 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.500 -5.965 -1.929 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.952 -5.861 -1.057 1.00 10.00 H new ATOM 349 N TRP A 22 8.048 -1.066 -0.958 1.00 10.00 N ATOM 350 CA TRP A 22 8.547 0.322 -1.208 1.00 10.00 C ATOM 351 C TRP A 22 9.738 0.608 -0.294 1.00 10.00 C ATOM 352 O TRP A 22 10.780 1.050 -0.737 1.00 10.00 O ATOM 353 CB TRP A 22 7.373 1.240 -0.859 1.00 10.00 C ATOM 354 CG TRP A 22 7.536 2.548 -1.564 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.002 2.857 -2.767 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.278 3.724 -1.130 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.368 4.151 -3.099 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.155 4.727 -2.121 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.036 4.015 0.018 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.764 5.973 -1.979 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.650 5.270 0.164 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.515 6.246 -0.833 1.00 10.00 C ATOM 0 H TRP A 22 7.067 -1.128 -0.686 1.00 10.00 H new ATOM 0 HA TRP A 22 8.879 0.468 -2.236 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.433 0.772 -1.151 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.329 1.399 0.219 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.390 2.202 -3.370 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.090 4.621 -3.961 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.147 3.270 0.792 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.656 6.722 -2.750 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.230 5.484 1.050 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.991 7.208 -0.715 1.00 10.00 H new ATOM 373 N LEU A 23 9.589 0.340 0.981 1.00 10.00 N ATOM 374 CA LEU A 23 10.713 0.572 1.943 1.00 10.00 C ATOM 375 C LEU A 23 11.914 -0.307 1.565 1.00 10.00 C ATOM 376 O LEU A 23 13.049 0.132 1.606 1.00 10.00 O ATOM 377 CB LEU A 23 10.163 0.171 3.317 1.00 10.00 C ATOM 378 CG LEU A 23 9.665 1.418 4.057 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.288 1.142 4.665 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.650 1.775 5.176 1.00 10.00 C ATOM 0 H LEU A 23 8.735 -0.030 1.398 1.00 10.00 H new ATOM 0 HA LEU A 23 11.055 1.607 1.935 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.348 -0.544 3.199 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.939 -0.324 3.900 1.00 10.00 H new ATOM 0 HG LEU A 23 9.591 2.248 3.354 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.937 2.031 5.190 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.585 0.888 3.872 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.360 0.311 5.366 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.297 2.662 5.703 1.00 10.00 H new ATOM 0 HD22 LEU A 23 10.723 0.942 5.876 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.632 1.975 4.746 1.00 10.00 H new ATOM 392 N LYS A 24 11.667 -1.540 1.186 1.00 10.00 N ATOM 393 CA LYS A 24 12.788 -2.448 0.788 1.00 10.00 C ATOM 394 C LYS A 24 13.421 -1.955 -0.522 1.00 10.00 C ATOM 395 O LYS A 24 14.615 -2.066 -0.723 1.00 10.00 O ATOM 396 CB LYS A 24 12.138 -3.822 0.589 1.00 10.00 C ATOM 397 CG LYS A 24 13.221 -4.903 0.533 1.00 10.00 C ATOM 398 CD LYS A 24 12.697 -6.116 -0.245 1.00 10.00 C ATOM 399 CE LYS A 24 13.512 -6.297 -1.531 1.00 10.00 C ATOM 400 NZ LYS A 24 12.891 -5.373 -2.523 1.00 10.00 N ATOM 0 H LYS A 24 10.737 -1.955 1.136 1.00 10.00 H new ATOM 0 HA LYS A 24 13.581 -2.481 1.535 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.446 -4.029 1.405 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.556 -3.829 -0.332 1.00 10.00 H new ATOM 0 HG2 LYS A 24 14.117 -4.510 0.053 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.505 -5.201 1.543 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.767 -7.013 0.371 1.00 10.00 H new ATOM 0 HD3 LYS A 24 11.643 -5.977 -0.487 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.562 -6.053 -1.369 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.475 -7.330 -1.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.398 -5.444 -3.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.894 -5.634 -2.663 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 12.947 -4.396 -2.170 1.00 10.00 H new ATOM 414 N ALA A 25 12.622 -1.405 -1.408 1.00 10.00 N ATOM 415 CA ALA A 25 13.163 -0.893 -2.706 1.00 10.00 C ATOM 416 C ALA A 25 14.021 0.361 -2.473 1.00 10.00 C ATOM 417 O ALA A 25 14.963 0.615 -3.200 1.00 10.00 O ATOM 418 CB ALA A 25 11.929 -0.553 -3.547 1.00 10.00 C ATOM 0 H ALA A 25 11.616 -1.289 -1.286 1.00 10.00 H new ATOM 0 HA ALA A 25 13.803 -1.624 -3.200 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.244 -0.170 -4.517 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.327 -1.451 -3.689 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.336 0.204 -3.033 1.00 10.00 H new ATOM 424 N LYS A 26 13.706 1.141 -1.464 1.00 10.00 N ATOM 425 CA LYS A 26 14.508 2.375 -1.179 1.00 10.00 C ATOM 426 C LYS A 26 15.961 1.999 -0.849 1.00 10.00 C ATOM 427 O LYS A 26 16.893 2.654 -1.281 1.00 10.00 O ATOM 428 CB LYS A 26 13.833 3.024 0.035 1.00 10.00 C ATOM 429 CG LYS A 26 13.714 4.535 -0.189 1.00 10.00 C ATOM 430 CD LYS A 26 12.942 5.167 0.973 1.00 10.00 C ATOM 431 CE LYS A 26 13.928 5.703 2.019 1.00 10.00 C ATOM 432 NZ LYS A 26 13.348 5.319 3.339 1.00 10.00 N ATOM 0 H LYS A 26 12.928 0.976 -0.826 1.00 10.00 H new ATOM 0 HA LYS A 26 14.539 3.050 -2.034 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.845 2.590 0.189 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.413 2.824 0.936 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.706 4.981 -0.265 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.202 4.734 -1.130 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.311 5.976 0.605 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.281 4.429 1.427 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.919 5.270 1.884 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.039 6.784 1.938 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.970 5.654 4.102 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.408 5.751 3.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.261 4.284 3.392 1.00 10.00 H new ATOM 446 N LEU A 27 16.157 0.944 -0.094 1.00 10.00 N ATOM 447 CA LEU A 27 17.545 0.511 0.261 1.00 10.00 C ATOM 448 C LEU A 27 17.994 -0.623 -0.674 1.00 10.00 C ATOM 449 O LEU A 27 17.374 -0.871 -1.691 1.00 10.00 O ATOM 450 CB LEU A 27 17.448 0.018 1.711 1.00 10.00 C ATOM 451 CG LEU A 27 18.710 0.426 2.480 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.392 1.606 3.400 1.00 10.00 C ATOM 453 CD2 LEU A 27 19.201 -0.757 3.321 1.00 10.00 C ATOM 0 H LEU A 27 15.413 0.363 0.292 1.00 10.00 H new ATOM 0 HA LEU A 27 18.274 1.315 0.157 1.00 10.00 H new ATOM 0 HB2 LEU A 27 16.565 0.441 2.191 1.00 10.00 H new ATOM 0 HB3 LEU A 27 17.333 -1.066 1.730 1.00 10.00 H new ATOM 0 HG LEU A 27 19.486 0.717 1.772 1.00 10.00 H new ATOM 0 HD11 LEU A 27 19.290 1.894 3.946 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.044 2.449 2.803 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.615 1.317 4.108 1.00 10.00 H new ATOM 0 HD21 LEU A 27 20.098 -0.467 3.868 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.424 -1.049 4.027 1.00 10.00 H new ATOM 0 HD23 LEU A 27 19.431 -1.598 2.667 1.00 10.00 H new ATOM 465 N MET A 28 19.065 -1.312 -0.331 1.00 10.00 N ATOM 466 CA MET A 28 19.573 -2.439 -1.185 1.00 10.00 C ATOM 467 C MET A 28 20.054 -1.915 -2.551 1.00 10.00 C ATOM 468 O MET A 28 19.258 -1.693 -3.445 1.00 10.00 O ATOM 469 CB MET A 28 18.385 -3.399 -1.351 1.00 10.00 C ATOM 470 CG MET A 28 18.882 -4.846 -1.357 1.00 10.00 C ATOM 471 SD MET A 28 17.621 -5.921 -0.624 1.00 10.00 S ATOM 472 CE MET A 28 17.572 -7.159 -1.942 1.00 10.00 C ATOM 0 H MET A 28 19.612 -1.138 0.512 1.00 10.00 H new ATOM 0 HA MET A 28 20.428 -2.937 -0.728 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.672 -3.253 -0.539 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.858 -3.182 -2.280 1.00 10.00 H new ATOM 0 HG2 MET A 28 19.097 -5.164 -2.377 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.813 -4.924 -0.796 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.845 -7.931 -1.690 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.285 -6.682 -2.879 1.00 10.00 H new ATOM 0 HE3 MET A 28 18.557 -7.612 -2.053 1.00 10.00 H new ATOM 482 N PRO A 29 21.351 -1.733 -2.664 1.00 10.00 N ATOM 483 CA PRO A 29 21.944 -1.230 -3.933 1.00 10.00 C ATOM 484 C PRO A 29 21.960 -2.327 -5.007 1.00 10.00 C ATOM 485 O PRO A 29 21.422 -3.403 -4.819 1.00 10.00 O ATOM 486 CB PRO A 29 23.365 -0.841 -3.535 1.00 10.00 C ATOM 487 CG PRO A 29 23.679 -1.673 -2.330 1.00 10.00 C ATOM 488 CD PRO A 29 22.374 -1.974 -1.637 1.00 10.00 C ATOM 0 HA PRO A 29 21.380 -0.402 -4.363 1.00 10.00 H new ATOM 0 HB2 PRO A 29 24.068 -1.039 -4.344 1.00 10.00 H new ATOM 0 HB3 PRO A 29 23.433 0.223 -3.307 1.00 10.00 H new ATOM 0 HG2 PRO A 29 24.181 -2.596 -2.621 1.00 10.00 H new ATOM 0 HG3 PRO A 29 24.355 -1.140 -1.661 1.00 10.00 H new ATOM 0 HD2 PRO A 29 22.343 -3.003 -1.278 1.00 10.00 H new ATOM 0 HD3 PRO A 29 22.226 -1.330 -0.770 1.00 10.00 H new ATOM 496 N GLN A 30 22.575 -2.056 -6.132 1.00 10.00 N ATOM 497 CA GLN A 30 22.632 -3.077 -7.228 1.00 10.00 C ATOM 498 C GLN A 30 23.448 -4.302 -6.785 1.00 10.00 C ATOM 499 O GLN A 30 24.446 -4.180 -6.099 1.00 10.00 O ATOM 500 CB GLN A 30 23.304 -2.367 -8.414 1.00 10.00 C ATOM 501 CG GLN A 30 24.755 -2.006 -8.065 1.00 10.00 C ATOM 502 CD GLN A 30 25.152 -0.718 -8.791 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.032 -0.625 -9.996 1.00 10.00 O ATOM 504 NE2 GLN A 30 25.625 0.288 -8.105 1.00 10.00 N ATOM 0 H GLN A 30 23.040 -1.173 -6.340 1.00 10.00 H new ATOM 0 HA GLN A 30 21.641 -3.446 -7.492 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.284 -3.012 -9.292 1.00 10.00 H new ATOM 0 HB3 GLN A 30 22.749 -1.464 -8.669 1.00 10.00 H new ATOM 0 HG2 GLN A 30 24.859 -1.875 -6.988 1.00 10.00 H new ATOM 0 HG3 GLN A 30 25.422 -2.818 -8.353 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.727 0.212 -7.093 1.00 10.00 H new ATOM 0 HE22 GLN A 30 25.893 1.149 -8.581 1.00 10.00 H new ATOM 513 N LEU A 31 23.021 -5.481 -7.170 1.00 10.00 N ATOM 514 CA LEU A 31 23.761 -6.721 -6.774 1.00 10.00 C ATOM 515 C LEU A 31 23.590 -7.813 -7.839 1.00 10.00 C ATOM 516 O LEU A 31 22.470 -8.021 -8.281 1.00 10.00 O ATOM 517 CB LEU A 31 23.125 -7.157 -5.450 1.00 10.00 C ATOM 518 CG LEU A 31 24.164 -7.889 -4.596 1.00 10.00 C ATOM 519 CD1 LEU A 31 24.989 -6.871 -3.805 1.00 10.00 C ATOM 520 CD2 LEU A 31 23.452 -8.833 -3.624 1.00 10.00 C ATOM 521 OXT LEU A 31 24.584 -8.425 -8.194 1.00 10.00 O ATOM 0 H LEU A 31 22.191 -5.638 -7.742 1.00 10.00 H new ATOM 0 HA LEU A 31 24.832 -6.545 -6.675 1.00 10.00 H new ATOM 0 HB2 LEU A 31 22.746 -6.287 -4.913 1.00 10.00 H new ATOM 0 HB3 LEU A 31 22.273 -7.809 -5.642 1.00 10.00 H new ATOM 0 HG LEU A 31 24.825 -8.464 -5.245 1.00 10.00 H new ATOM 0 HD11 LEU A 31 25.728 -7.394 -3.198 1.00 10.00 H new ATOM 0 HD12 LEU A 31 25.498 -6.199 -4.496 1.00 10.00 H new ATOM 0 HD13 LEU A 31 24.330 -6.294 -3.157 1.00 10.00 H new ATOM 0 HD21 LEU A 31 24.191 -9.354 -3.016 1.00 10.00 H new ATOM 0 HD22 LEU A 31 22.790 -8.257 -2.977 1.00 10.00 H new ATOM 0 HD23 LEU A 31 22.867 -9.560 -4.186 1.00 10.00 H new TER 533 LEU A 31