USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 309 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 ASP N :NH3+ -168:sc= -0.0746 (180deg=-0.215) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.3!) USER MOD Single : A 12 GLN : amide:sc=-0.00622 K(o=-0.0062,f=-0.6) USER MOD Single : A 19 THR OG1 : rot -54:sc= 1.11 USER MOD Single : A 21 SER OG : rot -119:sc= 0.259 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl -137:sc= -0.36 (180deg=-1.81!) USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= 0.414 (180deg=-0.652) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00152 (180deg=-0.219) USER MOD Single : A 37 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.12) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N ASP A 1 -14.659 1.092 -4.449 1.00 0.00 N ATOM 13 CA ASP A 1 -13.502 0.927 -5.371 1.00 0.00 C ATOM 14 C ASP A 1 -12.645 2.195 -5.359 1.00 0.00 C ATOM 15 O ASP A 1 -11.477 2.168 -5.689 1.00 0.00 O ATOM 16 CB ASP A 1 -14.013 0.673 -6.791 1.00 0.00 C ATOM 17 CG ASP A 1 -13.046 -0.260 -7.522 1.00 0.00 C ATOM 18 OD1 ASP A 1 -12.116 0.243 -8.132 1.00 0.00 O ATOM 19 OD2 ASP A 1 -13.251 -1.461 -7.460 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.120 0.171 -4.303 1.00 0.00 H new ATOM 0 H2 ASP A 1 -14.325 1.461 -3.536 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.341 1.759 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.899 0.081 -5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -15.008 0.229 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -14.103 1.616 -7.331 1.00 0.00 H new ATOM 24 N TRP A 2 -13.218 3.308 -4.989 1.00 0.00 N ATOM 25 CA TRP A 2 -12.442 4.576 -4.962 1.00 0.00 C ATOM 26 C TRP A 2 -11.253 4.443 -4.006 1.00 0.00 C ATOM 27 O TRP A 2 -10.181 4.956 -4.253 1.00 0.00 O ATOM 28 CB TRP A 2 -13.338 5.715 -4.477 1.00 0.00 C ATOM 29 CG TRP A 2 -13.606 5.518 -3.025 1.00 0.00 C ATOM 30 CD1 TRP A 2 -14.474 4.619 -2.528 1.00 0.00 C ATOM 31 CD2 TRP A 2 -13.002 6.189 -1.884 1.00 0.00 C ATOM 32 NE1 TRP A 2 -14.458 4.697 -1.147 1.00 0.00 N ATOM 33 CE2 TRP A 2 -13.564 5.653 -0.702 1.00 0.00 C ATOM 34 CE3 TRP A 2 -12.035 7.203 -1.761 1.00 0.00 C ATOM 35 CZ2 TRP A 2 -13.176 6.108 0.560 1.00 0.00 C ATOM 36 CZ3 TRP A 2 -11.644 7.664 -0.493 1.00 0.00 C ATOM 37 CH2 TRP A 2 -12.213 7.117 0.665 1.00 0.00 C ATOM 0 H TRP A 2 -14.194 3.392 -4.704 1.00 0.00 H new ATOM 0 HA TRP A 2 -12.080 4.788 -5.968 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -12.853 6.677 -4.646 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -14.273 5.726 -5.037 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -15.084 3.946 -3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -15.034 4.121 -0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.590 7.630 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -13.617 5.683 1.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -10.901 8.444 -0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -11.908 7.474 1.638 1.00 0.00 H new ATOM 48 N LEU A 3 -11.450 3.777 -2.902 1.00 0.00 N ATOM 49 CA LEU A 3 -10.349 3.628 -1.911 1.00 0.00 C ATOM 50 C LEU A 3 -9.136 2.967 -2.566 1.00 0.00 C ATOM 51 O LEU A 3 -8.024 3.100 -2.098 1.00 0.00 O ATOM 52 CB LEU A 3 -10.830 2.777 -0.737 1.00 0.00 C ATOM 53 CG LEU A 3 -10.889 3.647 0.519 1.00 0.00 C ATOM 54 CD1 LEU A 3 -12.262 3.503 1.178 1.00 0.00 C ATOM 55 CD2 LEU A 3 -9.803 3.201 1.499 1.00 0.00 C ATOM 0 H LEU A 3 -12.329 3.328 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.059 4.615 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.814 2.360 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.155 1.936 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.726 4.690 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.303 4.124 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.036 3.822 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.427 2.461 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.844 3.821 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.965 2.158 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.825 3.306 1.030 1.00 0.00 H new ATOM 67 N LYS A 4 -9.332 2.262 -3.643 1.00 0.00 N ATOM 68 CA LYS A 4 -8.173 1.611 -4.315 1.00 0.00 C ATOM 69 C LYS A 4 -7.290 2.692 -4.935 1.00 0.00 C ATOM 70 O LYS A 4 -6.080 2.580 -4.971 1.00 0.00 O ATOM 71 CB LYS A 4 -8.676 0.668 -5.412 1.00 0.00 C ATOM 72 CG LYS A 4 -9.869 -0.136 -4.891 1.00 0.00 C ATOM 73 CD LYS A 4 -9.628 -1.627 -5.138 1.00 0.00 C ATOM 74 CE LYS A 4 -9.532 -2.358 -3.797 1.00 0.00 C ATOM 75 NZ LYS A 4 -8.106 -2.676 -3.505 1.00 0.00 N ATOM 0 H LYS A 4 -10.238 2.108 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.600 1.037 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.967 1.241 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.877 -0.006 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.008 0.049 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.783 0.183 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.440 -2.044 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.710 -1.768 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.947 -1.738 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.121 -3.275 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.041 -3.173 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.724 -3.283 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.556 -1.794 -3.459 1.00 0.00 H new ATOM 89 N ALA A 5 -7.890 3.741 -5.423 1.00 0.00 N ATOM 90 CA ALA A 5 -7.100 4.838 -6.041 1.00 0.00 C ATOM 91 C ALA A 5 -6.624 5.808 -4.955 1.00 0.00 C ATOM 92 O ALA A 5 -5.605 6.455 -5.094 1.00 0.00 O ATOM 93 CB ALA A 5 -7.981 5.587 -7.043 1.00 0.00 C ATOM 0 H ALA A 5 -8.900 3.885 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.233 4.419 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.407 6.393 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.319 4.898 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.845 6.004 -6.527 1.00 0.00 H new ATOM 99 N ARG A 6 -7.355 5.923 -3.877 1.00 0.00 N ATOM 100 CA ARG A 6 -6.944 6.858 -2.797 1.00 0.00 C ATOM 101 C ARG A 6 -6.045 6.136 -1.785 1.00 0.00 C ATOM 102 O ARG A 6 -5.448 6.754 -0.925 1.00 0.00 O ATOM 103 CB ARG A 6 -8.193 7.421 -2.096 1.00 0.00 C ATOM 104 CG ARG A 6 -8.694 6.452 -1.017 1.00 0.00 C ATOM 105 CD ARG A 6 -8.294 6.977 0.364 1.00 0.00 C ATOM 106 NE ARG A 6 -7.393 5.997 1.032 1.00 0.00 N ATOM 107 CZ ARG A 6 -6.727 6.346 2.101 1.00 0.00 C ATOM 108 NH1 ARG A 6 -5.838 7.299 2.033 1.00 0.00 N ATOM 109 NH2 ARG A 6 -6.953 5.745 3.237 1.00 0.00 N ATOM 0 H ARG A 6 -8.218 5.409 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.380 7.682 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.959 8.385 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.980 7.595 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.777 6.350 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.270 5.461 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.792 7.939 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.183 7.142 0.973 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.296 5.054 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.663 7.771 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.318 7.572 2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.650 5.002 3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.433 6.018 4.071 1.00 0.00 H new ATOM 123 N VAL A 7 -5.942 4.837 -1.874 1.00 0.00 N ATOM 124 CA VAL A 7 -5.084 4.097 -0.912 1.00 0.00 C ATOM 125 C VAL A 7 -3.663 3.976 -1.468 1.00 0.00 C ATOM 126 O VAL A 7 -2.697 3.986 -0.731 1.00 0.00 O ATOM 127 CB VAL A 7 -5.662 2.700 -0.677 1.00 0.00 C ATOM 128 CG1 VAL A 7 -5.428 1.833 -1.914 1.00 0.00 C ATOM 129 CG2 VAL A 7 -4.972 2.061 0.530 1.00 0.00 C ATOM 0 H VAL A 7 -6.414 4.260 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.055 4.641 0.032 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.733 2.778 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.840 0.838 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.918 2.287 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.358 1.754 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.383 1.066 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.902 1.984 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.140 2.677 1.413 1.00 0.00 H new ATOM 139 N GLU A 8 -3.526 3.858 -2.760 1.00 0.00 N ATOM 140 CA GLU A 8 -2.166 3.732 -3.354 1.00 0.00 C ATOM 141 C GLU A 8 -1.407 5.050 -3.188 1.00 0.00 C ATOM 142 O GLU A 8 -0.223 5.066 -2.915 1.00 0.00 O ATOM 143 CB GLU A 8 -2.289 3.397 -4.842 1.00 0.00 C ATOM 144 CG GLU A 8 -1.744 1.990 -5.094 1.00 0.00 C ATOM 145 CD GLU A 8 -2.908 1.019 -5.300 1.00 0.00 C ATOM 146 OE1 GLU A 8 -3.521 1.076 -6.353 1.00 0.00 O ATOM 147 OE2 GLU A 8 -3.166 0.235 -4.402 1.00 0.00 O ATOM 0 H GLU A 8 -4.296 3.843 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.622 2.936 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.332 3.456 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.737 4.125 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.098 1.991 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.134 1.669 -4.250 1.00 0.00 H new ATOM 154 N GLN A 9 -2.078 6.157 -3.352 1.00 0.00 N ATOM 155 CA GLN A 9 -1.393 7.471 -3.206 1.00 0.00 C ATOM 156 C GLN A 9 -0.752 7.566 -1.820 1.00 0.00 C ATOM 157 O GLN A 9 0.390 7.958 -1.680 1.00 0.00 O ATOM 158 CB GLN A 9 -2.412 8.600 -3.376 1.00 0.00 C ATOM 159 CG GLN A 9 -1.867 9.633 -4.366 1.00 0.00 C ATOM 160 CD GLN A 9 -2.747 10.884 -4.338 1.00 0.00 C ATOM 161 OE1 GLN A 9 -3.251 11.264 -3.300 1.00 0.00 O ATOM 162 NE2 GLN A 9 -2.955 11.546 -5.444 1.00 0.00 N ATOM 0 H GLN A 9 -3.071 6.208 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.619 7.561 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.359 8.199 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.612 9.072 -2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.840 9.892 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.847 9.213 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.532 11.228 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.540 12.381 -5.436 1.00 0.00 H new ATOM 171 N GLU A 10 -1.476 7.215 -0.792 1.00 0.00 N ATOM 172 CA GLU A 10 -0.905 7.291 0.579 1.00 0.00 C ATOM 173 C GLU A 10 0.232 6.275 0.721 1.00 0.00 C ATOM 174 O GLU A 10 1.287 6.579 1.242 1.00 0.00 O ATOM 175 CB GLU A 10 -1.998 6.984 1.606 1.00 0.00 C ATOM 176 CG GLU A 10 -2.540 8.293 2.182 1.00 0.00 C ATOM 177 CD GLU A 10 -1.948 8.523 3.573 1.00 0.00 C ATOM 178 OE1 GLU A 10 -1.203 7.670 4.026 1.00 0.00 O ATOM 179 OE2 GLU A 10 -2.249 9.548 4.162 1.00 0.00 O ATOM 0 H GLU A 10 -2.438 6.879 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.515 8.294 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.804 6.420 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.596 6.362 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.285 9.125 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.628 8.254 2.240 1.00 0.00 H new ATOM 186 N LEU A 11 0.024 5.069 0.266 1.00 0.00 N ATOM 187 CA LEU A 11 1.089 4.036 0.379 1.00 0.00 C ATOM 188 C LEU A 11 2.260 4.399 -0.535 1.00 0.00 C ATOM 189 O LEU A 11 3.312 3.792 -0.484 1.00 0.00 O ATOM 190 CB LEU A 11 0.525 2.676 -0.039 1.00 0.00 C ATOM 191 CG LEU A 11 -0.490 2.200 1.001 1.00 0.00 C ATOM 192 CD1 LEU A 11 -1.594 1.401 0.306 1.00 0.00 C ATOM 193 CD2 LEU A 11 0.213 1.311 2.028 1.00 0.00 C ATOM 0 H LEU A 11 -0.839 4.756 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 11 1.436 3.989 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.050 2.753 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.332 1.950 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.927 3.062 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.318 1.061 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.094 2.034 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.157 0.538 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.509 0.971 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.649 0.448 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.001 1.879 2.522 1.00 0.00 H new ATOM 205 N GLN A 12 2.086 5.381 -1.375 1.00 0.00 N ATOM 206 CA GLN A 12 3.188 5.778 -2.297 1.00 0.00 C ATOM 207 C GLN A 12 4.275 6.519 -1.514 1.00 0.00 C ATOM 208 O GLN A 12 5.434 6.157 -1.549 1.00 0.00 O ATOM 209 CB GLN A 12 2.632 6.696 -3.387 1.00 0.00 C ATOM 210 CG GLN A 12 3.441 6.513 -4.673 1.00 0.00 C ATOM 211 CD GLN A 12 2.549 6.799 -5.882 1.00 0.00 C ATOM 212 OE1 GLN A 12 1.629 7.589 -5.800 1.00 0.00 O ATOM 213 NE2 GLN A 12 2.783 6.187 -7.011 1.00 0.00 N ATOM 0 H GLN A 12 1.228 5.926 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 12 3.617 4.885 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.582 6.466 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.679 7.735 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.299 7.185 -4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.832 5.497 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.555 5.524 -7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.194 6.372 -7.823 1.00 0.00 H new ATOM 222 N ALA A 13 3.910 7.557 -0.813 1.00 0.00 N ATOM 223 CA ALA A 13 4.918 8.326 -0.034 1.00 0.00 C ATOM 224 C ALA A 13 5.567 7.419 1.013 1.00 0.00 C ATOM 225 O ALA A 13 6.637 7.704 1.516 1.00 0.00 O ATOM 226 CB ALA A 13 4.223 9.494 0.664 1.00 0.00 C ATOM 0 H ALA A 13 2.954 7.906 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 13 5.689 8.702 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.955 10.063 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.763 10.142 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.454 9.111 1.335 1.00 0.00 H new ATOM 232 N LEU A 14 4.931 6.332 1.351 1.00 0.00 N ATOM 233 CA LEU A 14 5.515 5.414 2.369 1.00 0.00 C ATOM 234 C LEU A 14 6.655 4.608 1.741 1.00 0.00 C ATOM 235 O LEU A 14 7.711 4.453 2.322 1.00 0.00 O ATOM 236 CB LEU A 14 4.433 4.459 2.877 1.00 0.00 C ATOM 237 CG LEU A 14 4.103 4.787 4.334 1.00 0.00 C ATOM 238 CD1 LEU A 14 3.450 6.169 4.414 1.00 0.00 C ATOM 239 CD2 LEU A 14 3.138 3.736 4.884 1.00 0.00 C ATOM 0 H LEU A 14 4.033 6.040 0.967 1.00 0.00 H new ATOM 0 HA LEU A 14 5.903 5.999 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.538 4.547 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.776 3.428 2.794 1.00 0.00 H new ATOM 0 HG LEU A 14 5.020 4.786 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.216 6.401 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.136 6.919 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.533 6.173 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.901 3.967 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.222 3.739 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.602 2.751 4.829 1.00 0.00 H new ATOM 251 N GLU A 15 6.451 4.091 0.560 1.00 0.00 N ATOM 252 CA GLU A 15 7.525 3.295 -0.097 1.00 0.00 C ATOM 253 C GLU A 15 8.544 4.240 -0.739 1.00 0.00 C ATOM 254 O GLU A 15 9.638 3.844 -1.089 1.00 0.00 O ATOM 255 CB GLU A 15 6.911 2.399 -1.174 1.00 0.00 C ATOM 256 CG GLU A 15 6.115 1.274 -0.509 1.00 0.00 C ATOM 257 CD GLU A 15 7.051 0.426 0.354 1.00 0.00 C ATOM 258 OE1 GLU A 15 8.112 0.069 -0.132 1.00 0.00 O ATOM 259 OE2 GLU A 15 6.691 0.148 1.486 1.00 0.00 O ATOM 0 H GLU A 15 5.589 4.185 0.023 1.00 0.00 H new ATOM 0 HA GLU A 15 8.024 2.676 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.260 2.985 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.695 1.980 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.317 1.692 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.640 0.652 -1.268 1.00 0.00 H new ATOM 266 N ALA A 16 8.194 5.488 -0.897 1.00 0.00 N ATOM 267 CA ALA A 16 9.143 6.455 -1.515 1.00 0.00 C ATOM 268 C ALA A 16 10.208 6.851 -0.490 1.00 0.00 C ATOM 269 O ALA A 16 11.388 6.860 -0.779 1.00 0.00 O ATOM 270 CB ALA A 16 8.380 7.702 -1.967 1.00 0.00 C ATOM 0 H ALA A 16 7.292 5.879 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 16 9.623 5.992 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.075 8.410 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.622 7.420 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.899 8.166 -1.106 1.00 0.00 H new ATOM 276 N ARG A 17 9.802 7.177 0.706 1.00 0.00 N ATOM 277 CA ARG A 17 10.793 7.571 1.747 1.00 0.00 C ATOM 278 C ARG A 17 11.036 6.391 2.689 1.00 0.00 C ATOM 279 O ARG A 17 10.958 6.519 3.894 1.00 0.00 O ATOM 280 CB ARG A 17 10.251 8.756 2.548 1.00 0.00 C ATOM 281 CG ARG A 17 11.401 9.437 3.294 1.00 0.00 C ATOM 282 CD ARG A 17 10.854 10.163 4.524 1.00 0.00 C ATOM 283 NE ARG A 17 11.345 11.570 4.530 1.00 0.00 N ATOM 284 CZ ARG A 17 11.602 12.167 5.661 1.00 0.00 C ATOM 285 NH1 ARG A 17 10.720 12.151 6.623 1.00 0.00 N ATOM 286 NH2 ARG A 17 12.741 12.781 5.831 1.00 0.00 N ATOM 0 H ARG A 17 8.828 7.188 1.008 1.00 0.00 H new ATOM 0 HA ARG A 17 11.729 7.855 1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.764 9.467 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.496 8.415 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.142 8.696 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.907 10.144 2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.764 10.147 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.172 9.652 5.433 1.00 0.00 H new ATOM 0 HE ARG A 17 11.480 12.066 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.829 11.672 6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.921 12.618 7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.430 12.794 5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.942 13.248 6.715 1.00 0.00 H new ATOM 300 N GLY A 18 11.329 5.240 2.148 1.00 0.00 N ATOM 301 CA GLY A 18 11.575 4.053 3.013 1.00 0.00 C ATOM 302 C GLY A 18 13.065 3.715 3.008 1.00 0.00 C ATOM 303 O GLY A 18 13.857 4.362 2.352 1.00 0.00 O ATOM 0 H GLY A 18 11.408 5.071 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.241 4.257 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.997 3.202 2.652 1.00 0.00 H new ATOM 307 N THR A 19 13.454 2.704 3.735 1.00 0.00 N ATOM 308 CA THR A 19 14.893 2.322 3.773 1.00 0.00 C ATOM 309 C THR A 19 15.045 0.873 3.309 1.00 0.00 C ATOM 310 O THR A 19 16.043 0.228 3.568 1.00 0.00 O ATOM 311 CB THR A 19 15.417 2.459 5.204 1.00 0.00 C ATOM 312 OG1 THR A 19 16.783 2.069 5.246 1.00 0.00 O ATOM 313 CG2 THR A 19 14.599 1.565 6.137 1.00 0.00 C ATOM 0 H THR A 19 12.837 2.126 4.305 1.00 0.00 H new ATOM 0 HA THR A 19 15.463 2.976 3.114 1.00 0.00 H new ATOM 0 HB THR A 19 15.325 3.496 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 19 16.879 1.172 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.973 1.664 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.552 1.866 6.104 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.688 0.527 5.817 1.00 0.00 H new ATOM 321 N ASP A 20 14.062 0.355 2.624 1.00 0.00 N ATOM 322 CA ASP A 20 14.146 -1.053 2.143 1.00 0.00 C ATOM 323 C ASP A 20 13.074 -1.292 1.078 1.00 0.00 C ATOM 324 O ASP A 20 12.300 -2.224 1.160 1.00 0.00 O ATOM 325 CB ASP A 20 13.916 -2.006 3.318 1.00 0.00 C ATOM 326 CG ASP A 20 14.520 -3.373 2.992 1.00 0.00 C ATOM 327 OD1 ASP A 20 15.715 -3.530 3.178 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.776 -4.239 2.562 1.00 0.00 O ATOM 0 H ASP A 20 13.203 0.847 2.377 1.00 0.00 H new ATOM 0 HA ASP A 20 15.132 -1.233 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.371 -1.602 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.849 -2.106 3.515 1.00 0.00 H new ATOM 333 N SER A 21 13.020 -0.453 0.081 1.00 0.00 N ATOM 334 CA SER A 21 11.997 -0.626 -0.985 1.00 0.00 C ATOM 335 C SER A 21 12.314 -1.877 -1.808 1.00 0.00 C ATOM 336 O SER A 21 13.164 -2.669 -1.452 1.00 0.00 O ATOM 337 CB SER A 21 12.006 0.599 -1.900 1.00 0.00 C ATOM 338 OG SER A 21 11.614 1.745 -1.157 1.00 0.00 O ATOM 0 H SER A 21 13.642 0.346 -0.041 1.00 0.00 H new ATOM 0 HA SER A 21 11.014 -0.735 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.001 0.746 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.327 0.446 -2.738 1.00 0.00 H new ATOM 0 HG SER A 21 10.795 2.120 -1.542 1.00 0.00 H new ATOM 344 N ASN A 22 11.634 -2.059 -2.907 1.00 0.00 N ATOM 345 CA ASN A 22 11.890 -3.256 -3.757 1.00 0.00 C ATOM 346 C ASN A 22 11.748 -4.520 -2.911 1.00 0.00 C ATOM 347 O ASN A 22 12.237 -5.575 -3.261 1.00 0.00 O ATOM 348 CB ASN A 22 13.304 -3.182 -4.338 1.00 0.00 C ATOM 349 CG ASN A 22 13.291 -3.703 -5.776 1.00 0.00 C ATOM 350 OD1 ASN A 22 12.905 -2.998 -6.687 1.00 0.00 O ATOM 351 ND2 ASN A 22 13.702 -4.917 -6.021 1.00 0.00 N ATOM 0 H ASN A 22 10.911 -1.429 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 22 11.168 -3.282 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.665 -2.154 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.990 -3.774 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.699 -5.273 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.026 -5.510 -5.257 1.00 0.00 H new ATOM 358 N ALA A 23 11.085 -4.415 -1.797 1.00 0.00 N ATOM 359 CA ALA A 23 10.906 -5.594 -0.916 1.00 0.00 C ATOM 360 C ALA A 23 9.462 -5.640 -0.408 1.00 0.00 C ATOM 361 O ALA A 23 8.838 -6.682 -0.375 1.00 0.00 O ATOM 362 CB ALA A 23 11.859 -5.473 0.268 1.00 0.00 C ATOM 0 H ALA A 23 10.656 -3.554 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 23 11.119 -6.507 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.736 -6.335 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.886 -5.436 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.637 -4.561 0.822 1.00 0.00 H new ATOM 368 N GLU A 24 8.928 -4.518 -0.006 1.00 0.00 N ATOM 369 CA GLU A 24 7.534 -4.491 0.504 1.00 0.00 C ATOM 370 C GLU A 24 6.551 -4.343 -0.661 1.00 0.00 C ATOM 371 O GLU A 24 5.440 -3.885 -0.489 1.00 0.00 O ATOM 372 CB GLU A 24 7.368 -3.309 1.460 1.00 0.00 C ATOM 373 CG GLU A 24 8.057 -3.628 2.788 1.00 0.00 C ATOM 374 CD GLU A 24 7.238 -4.674 3.548 1.00 0.00 C ATOM 375 OE1 GLU A 24 6.026 -4.540 3.581 1.00 0.00 O ATOM 376 OE2 GLU A 24 7.838 -5.592 4.084 1.00 0.00 O ATOM 0 H GLU A 24 9.403 -3.616 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 24 7.327 -5.424 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.799 -2.409 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.310 -3.107 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.065 -4.001 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.155 -2.722 3.386 1.00 0.00 H new ATOM 383 N LEU A 25 6.946 -4.727 -1.845 1.00 0.00 N ATOM 384 CA LEU A 25 6.027 -4.605 -3.011 1.00 0.00 C ATOM 385 C LEU A 25 5.022 -5.759 -2.987 1.00 0.00 C ATOM 386 O LEU A 25 3.839 -5.560 -2.798 1.00 0.00 O ATOM 387 CB LEU A 25 6.839 -4.658 -4.307 1.00 0.00 C ATOM 388 CG LEU A 25 7.725 -3.415 -4.407 1.00 0.00 C ATOM 389 CD1 LEU A 25 8.905 -3.702 -5.337 1.00 0.00 C ATOM 390 CD2 LEU A 25 6.906 -2.251 -4.970 1.00 0.00 C ATOM 0 H LEU A 25 7.864 -5.119 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 25 5.492 -3.657 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.454 -5.558 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.170 -4.710 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 25 8.098 -3.154 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.536 -2.816 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.488 -4.532 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.532 -3.962 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.536 -1.364 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.534 -2.513 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.064 -2.045 -4.309 1.00 0.00 H new ATOM 402 N ARG A 26 5.485 -6.965 -3.173 1.00 0.00 N ATOM 403 CA ARG A 26 4.556 -8.130 -3.158 1.00 0.00 C ATOM 404 C ARG A 26 3.868 -8.214 -1.794 1.00 0.00 C ATOM 405 O ARG A 26 2.702 -8.541 -1.695 1.00 0.00 O ATOM 406 CB ARG A 26 5.347 -9.416 -3.410 1.00 0.00 C ATOM 407 CG ARG A 26 6.132 -9.285 -4.716 1.00 0.00 C ATOM 408 CD ARG A 26 5.193 -9.519 -5.901 1.00 0.00 C ATOM 409 NE ARG A 26 4.994 -8.238 -6.635 1.00 0.00 N ATOM 410 CZ ARG A 26 5.763 -7.938 -7.646 1.00 0.00 C ATOM 411 NH1 ARG A 26 6.892 -7.313 -7.446 1.00 0.00 N ATOM 412 NH2 ARG A 26 5.404 -8.263 -8.858 1.00 0.00 N ATOM 0 H ARG A 26 6.466 -7.194 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 26 3.805 -8.007 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.029 -9.604 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.669 -10.268 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.582 -8.294 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.948 -10.008 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.612 -10.272 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.235 -9.902 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 26 4.256 -7.595 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.173 -7.059 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.492 -7.079 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.522 -8.751 -9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.005 -8.029 -9.648 1.00 0.00 H new ATOM 426 N ALA A 27 4.582 -7.924 -0.741 1.00 0.00 N ATOM 427 CA ALA A 27 3.970 -7.988 0.615 1.00 0.00 C ATOM 428 C ALA A 27 2.828 -6.975 0.709 1.00 0.00 C ATOM 429 O ALA A 27 1.849 -7.190 1.397 1.00 0.00 O ATOM 430 CB ALA A 27 5.030 -7.660 1.669 1.00 0.00 C ATOM 0 H ALA A 27 5.563 -7.645 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 27 3.581 -8.991 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.583 -7.707 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.844 -8.382 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.420 -6.657 1.493 1.00 0.00 H new ATOM 436 N MET A 28 2.944 -5.870 0.026 1.00 0.00 N ATOM 437 CA MET A 28 1.865 -4.843 0.079 1.00 0.00 C ATOM 438 C MET A 28 0.591 -5.405 -0.555 1.00 0.00 C ATOM 439 O MET A 28 -0.504 -4.965 -0.265 1.00 0.00 O ATOM 440 CB MET A 28 2.308 -3.597 -0.689 1.00 0.00 C ATOM 441 CG MET A 28 1.725 -2.353 -0.019 1.00 0.00 C ATOM 442 SD MET A 28 0.112 -1.977 -0.747 1.00 0.00 S ATOM 443 CE MET A 28 0.708 -1.539 -2.398 1.00 0.00 C ATOM 0 H MET A 28 3.740 -5.633 -0.567 1.00 0.00 H new ATOM 0 HA MET A 28 1.668 -4.579 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 28 3.396 -3.536 -0.709 1.00 0.00 H new ATOM 0 HB3 MET A 28 1.973 -3.656 -1.725 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.622 -2.519 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.400 -1.507 -0.148 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.187 -0.648 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.779 -1.341 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.518 -2.364 -3.084 1.00 0.00 H new ATOM 453 N GLU A 29 0.725 -6.370 -1.422 1.00 0.00 N ATOM 454 CA GLU A 29 -0.478 -6.956 -2.078 1.00 0.00 C ATOM 455 C GLU A 29 -1.360 -7.636 -1.027 1.00 0.00 C ATOM 456 O GLU A 29 -2.551 -7.407 -0.962 1.00 0.00 O ATOM 457 CB GLU A 29 -0.037 -7.989 -3.117 1.00 0.00 C ATOM 458 CG GLU A 29 -0.219 -7.411 -4.522 1.00 0.00 C ATOM 459 CD GLU A 29 1.045 -7.660 -5.346 1.00 0.00 C ATOM 460 OE1 GLU A 29 1.997 -6.917 -5.172 1.00 0.00 O ATOM 461 OE2 GLU A 29 1.041 -8.590 -6.136 1.00 0.00 O ATOM 0 H GLU A 29 1.616 -6.778 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.045 -6.164 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.007 -8.259 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.623 -8.902 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.079 -7.873 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.422 -6.342 -4.463 1.00 0.00 H new ATOM 468 N ALA A 30 -0.789 -8.475 -0.208 1.00 0.00 N ATOM 469 CA ALA A 30 -1.597 -9.170 0.828 1.00 0.00 C ATOM 470 C ALA A 30 -2.140 -8.151 1.833 1.00 0.00 C ATOM 471 O ALA A 30 -3.334 -8.028 2.022 1.00 0.00 O ATOM 472 CB ALA A 30 -0.714 -10.184 1.554 1.00 0.00 C ATOM 0 H ALA A 30 0.204 -8.708 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.434 -9.683 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.301 -10.698 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.332 -10.912 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.121 -9.667 2.027 1.00 0.00 H new ATOM 478 N LYS A 31 -1.274 -7.424 2.484 1.00 0.00 N ATOM 479 CA LYS A 31 -1.741 -6.419 3.480 1.00 0.00 C ATOM 480 C LYS A 31 -2.721 -5.448 2.817 1.00 0.00 C ATOM 481 O LYS A 31 -3.493 -4.783 3.480 1.00 0.00 O ATOM 482 CB LYS A 31 -0.540 -5.639 4.018 1.00 0.00 C ATOM 483 CG LYS A 31 -0.494 -5.764 5.541 1.00 0.00 C ATOM 484 CD LYS A 31 0.589 -4.838 6.099 1.00 0.00 C ATOM 485 CE LYS A 31 0.381 -4.662 7.603 1.00 0.00 C ATOM 486 NZ LYS A 31 -0.787 -3.768 7.840 1.00 0.00 N ATOM 0 H LYS A 31 -0.262 -7.483 2.369 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.242 -6.933 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.382 -6.024 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.615 -4.590 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.463 -5.505 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.287 -6.796 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.576 -5.256 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.548 -3.870 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.213 -5.631 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.276 -4.238 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.490 -2.954 8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.157 -3.432 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.530 -4.294 8.343 1.00 0.00 H new ATOM 500 N LEU A 32 -2.694 -5.356 1.516 1.00 0.00 N ATOM 501 CA LEU A 32 -3.618 -4.424 0.814 1.00 0.00 C ATOM 502 C LEU A 32 -5.065 -4.889 1.002 1.00 0.00 C ATOM 503 O LEU A 32 -5.936 -4.115 1.349 1.00 0.00 O ATOM 504 CB LEU A 32 -3.279 -4.403 -0.679 1.00 0.00 C ATOM 505 CG LEU A 32 -4.393 -3.694 -1.450 1.00 0.00 C ATOM 506 CD1 LEU A 32 -4.581 -2.281 -0.894 1.00 0.00 C ATOM 507 CD2 LEU A 32 -4.013 -3.614 -2.930 1.00 0.00 C ATOM 0 H LEU A 32 -2.070 -5.887 0.908 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.506 -3.423 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.330 -3.891 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.159 -5.421 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.323 -4.252 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.375 -1.776 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.850 -2.338 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.652 -1.721 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.805 -3.109 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.083 -3.055 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.879 -4.621 -3.326 1.00 0.00 H new ATOM 519 N LYS A 33 -5.329 -6.145 0.768 1.00 0.00 N ATOM 520 CA LYS A 33 -6.715 -6.661 0.922 1.00 0.00 C ATOM 521 C LYS A 33 -7.058 -6.809 2.407 1.00 0.00 C ATOM 522 O LYS A 33 -8.212 -6.824 2.787 1.00 0.00 O ATOM 523 CB LYS A 33 -6.827 -8.025 0.238 1.00 0.00 C ATOM 524 CG LYS A 33 -8.076 -8.054 -0.645 1.00 0.00 C ATOM 525 CD LYS A 33 -8.728 -9.435 -0.560 1.00 0.00 C ATOM 526 CE LYS A 33 -7.676 -10.514 -0.828 1.00 0.00 C ATOM 527 NZ LYS A 33 -7.159 -10.369 -2.219 1.00 0.00 N ATOM 0 H LYS A 33 -4.640 -6.838 0.475 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.411 -5.959 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.939 -8.215 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.880 -8.816 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.780 -7.287 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.810 -7.829 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.170 -9.580 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.537 -9.512 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.858 -10.425 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.112 -11.504 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.589 -11.203 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.958 -10.288 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.569 -9.515 -2.283 1.00 0.00 H new ATOM 541 N ALA A 34 -6.069 -6.928 3.250 1.00 0.00 N ATOM 542 CA ALA A 34 -6.346 -7.086 4.706 1.00 0.00 C ATOM 543 C ALA A 34 -6.653 -5.722 5.332 1.00 0.00 C ATOM 544 O ALA A 34 -7.377 -5.625 6.303 1.00 0.00 O ATOM 545 CB ALA A 34 -5.124 -7.697 5.392 1.00 0.00 C ATOM 0 H ALA A 34 -5.082 -6.923 2.994 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.207 -7.741 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.325 -7.813 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.911 -8.672 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.264 -7.042 5.254 1.00 0.00 H new ATOM 551 N GLU A 35 -6.107 -4.668 4.791 1.00 0.00 N ATOM 552 CA GLU A 35 -6.370 -3.319 5.367 1.00 0.00 C ATOM 553 C GLU A 35 -7.632 -2.727 4.737 1.00 0.00 C ATOM 554 O GLU A 35 -8.456 -2.141 5.410 1.00 0.00 O ATOM 555 CB GLU A 35 -5.180 -2.400 5.082 1.00 0.00 C ATOM 556 CG GLU A 35 -4.910 -1.520 6.305 1.00 0.00 C ATOM 557 CD GLU A 35 -3.760 -2.115 7.119 1.00 0.00 C ATOM 558 OE1 GLU A 35 -2.651 -2.140 6.611 1.00 0.00 O ATOM 559 OE2 GLU A 35 -4.008 -2.537 8.237 1.00 0.00 O ATOM 0 H GLU A 35 -5.492 -4.682 3.977 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.511 -3.409 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.297 -2.994 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.388 -1.778 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.660 -0.507 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.807 -1.450 6.921 1.00 0.00 H new ATOM 566 N ILE A 36 -7.789 -2.872 3.451 1.00 0.00 N ATOM 567 CA ILE A 36 -8.994 -2.315 2.778 1.00 0.00 C ATOM 568 C ILE A 36 -10.258 -2.869 3.442 1.00 0.00 C ATOM 569 O ILE A 36 -11.276 -2.210 3.510 1.00 0.00 O ATOM 570 CB ILE A 36 -8.967 -2.699 1.294 1.00 0.00 C ATOM 571 CG1 ILE A 36 -9.887 -1.762 0.509 1.00 0.00 C ATOM 572 CG2 ILE A 36 -9.439 -4.145 1.117 1.00 0.00 C ATOM 573 CD1 ILE A 36 -9.042 -0.843 -0.375 1.00 0.00 C ATOM 0 H ILE A 36 -7.133 -3.353 2.836 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.996 -1.229 2.869 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.947 -2.610 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.577 -2.342 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.492 -1.169 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.416 -4.408 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.780 -4.813 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.457 -4.244 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.696 -0.175 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.370 -0.254 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.457 -1.445 -1.070 1.00 0.00 H new ATOM 585 N GLN A 37 -10.199 -4.077 3.930 1.00 0.00 N ATOM 586 CA GLN A 37 -11.394 -4.678 4.590 1.00 0.00 C ATOM 587 C GLN A 37 -12.045 -3.644 5.512 1.00 0.00 C ATOM 588 O GLN A 37 -13.253 -3.565 5.615 1.00 0.00 O ATOM 589 CB GLN A 37 -10.965 -5.895 5.413 1.00 0.00 C ATOM 590 CG GLN A 37 -11.822 -7.102 5.026 1.00 0.00 C ATOM 591 CD GLN A 37 -12.512 -7.661 6.272 1.00 0.00 C ATOM 592 OE1 GLN A 37 -13.664 -8.045 6.223 1.00 0.00 O ATOM 593 NE2 GLN A 37 -11.851 -7.725 7.395 1.00 0.00 N ATOM 0 H GLN A 37 -9.374 -4.676 3.901 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.110 -4.987 3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.911 -6.113 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.074 -5.684 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.567 -6.810 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.200 -7.870 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.884 -7.403 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.301 -8.097 8.231 1.00 0.00 H new ATOM 602 N LYS A 38 -11.255 -2.852 6.183 1.00 0.00 N ATOM 603 CA LYS A 38 -11.829 -1.827 7.096 1.00 0.00 C ATOM 604 C LYS A 38 -10.707 -0.940 7.637 1.00 0.00 C ATOM 605 O LYS A 38 -10.956 0.146 8.124 1.00 0.00 O ATOM 606 CB LYS A 38 -12.539 -2.521 8.261 1.00 0.00 C ATOM 607 CG LYS A 38 -13.638 -1.607 8.809 1.00 0.00 C ATOM 608 CD LYS A 38 -14.928 -2.410 8.991 1.00 0.00 C ATOM 609 CE LYS A 38 -15.949 -1.568 9.756 1.00 0.00 C ATOM 610 NZ LYS A 38 -16.928 -0.982 8.797 1.00 0.00 N ATOM 0 H LYS A 38 -10.236 -2.871 6.138 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.545 -1.213 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.970 -3.465 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.823 -2.758 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.327 -1.178 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.808 -0.775 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.331 -2.696 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.721 -3.332 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.467 -2.184 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.443 -0.775 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.623 -0.409 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.426 -0.381 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.419 -1.747 8.291 1.00 0.00 H new