USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 618 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 GLY N :NH3+ -165:sc= -0.354 (180deg=-0.583) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 0.426 (180deg=0.0873) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 0.242 (180deg=0.0248) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -7.04! C(o=-7!,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00588) USER MOD Single : A 30 HIS : no HE2:sc= -3.35! C(o=-3.4!,f=-3.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -165:sc= -0.337 (180deg=-0.533) USER MOD Single : B 8 LYS NZ :NH3+ 150:sc= 0.469 (180deg=0.097) USER MOD Single : B 9 LYS NZ :NH3+ -166:sc= 0.225 (180deg=-0.0172) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -7.05! C(o=-7!,f=-7.5!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00633) USER MOD Single : B 30 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-3.2!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.576 -4.176 5.212 1.00 0.00 N ATOM 2 CA GLY A 1 43.692 -3.345 4.348 1.00 0.00 C ATOM 3 C GLY A 1 42.253 -3.849 4.459 1.00 0.00 C ATOM 4 O GLY A 1 41.446 -3.299 5.182 1.00 0.00 O ATOM 0 H1 GLY A 1 45.488 -3.694 5.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 44.124 -4.316 6.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.733 -5.100 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 1 43.747 -2.300 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.027 -3.394 3.312 1.00 0.00 H new ATOM 10 N GLU A 2 41.927 -4.892 3.744 1.00 0.00 N ATOM 11 CA GLU A 2 40.541 -5.447 3.795 1.00 0.00 C ATOM 12 C GLU A 2 39.506 -4.373 3.440 1.00 0.00 C ATOM 13 O GLU A 2 38.332 -4.526 3.707 1.00 0.00 O ATOM 14 CB GLU A 2 40.350 -5.921 5.238 1.00 0.00 C ATOM 15 CG GLU A 2 40.902 -7.341 5.384 1.00 0.00 C ATOM 16 CD GLU A 2 39.766 -8.352 5.214 1.00 0.00 C ATOM 17 OE1 GLU A 2 38.845 -8.319 6.013 1.00 0.00 O ATOM 18 OE2 GLU A 2 39.837 -9.142 4.287 1.00 0.00 O ATOM 0 H GLU A 2 42.565 -5.388 3.122 1.00 0.00 H new ATOM 0 HA GLU A 2 40.405 -6.256 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 2 40.863 -5.247 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.293 -5.901 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.676 -7.520 4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 2 41.368 -7.463 6.362 1.00 0.00 H new ATOM 25 N VAL A 3 39.922 -3.294 2.832 1.00 0.00 N ATOM 26 CA VAL A 3 38.947 -2.228 2.457 1.00 0.00 C ATOM 27 C VAL A 3 38.917 -2.069 0.936 1.00 0.00 C ATOM 28 O VAL A 3 37.893 -1.779 0.348 1.00 0.00 O ATOM 29 CB VAL A 3 39.461 -0.951 3.129 1.00 0.00 C ATOM 30 CG1 VAL A 3 40.824 -0.570 2.545 1.00 0.00 C ATOM 31 CG2 VAL A 3 38.466 0.187 2.887 1.00 0.00 C ATOM 0 H VAL A 3 40.892 -3.105 2.579 1.00 0.00 H new ATOM 0 HA VAL A 3 37.931 -2.462 2.776 1.00 0.00 H new ATOM 0 HB VAL A 3 39.565 -1.125 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 3 41.185 0.339 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 3 41.533 -1.379 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 3 40.725 -0.398 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 3 38.830 1.097 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 3 38.361 0.357 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 3 37.497 -0.081 3.308 1.00 0.00 H new ATOM 41 N GLU A 4 40.036 -2.264 0.295 1.00 0.00 N ATOM 42 CA GLU A 4 40.083 -2.135 -1.188 1.00 0.00 C ATOM 43 C GLU A 4 39.186 -3.189 -1.845 1.00 0.00 C ATOM 44 O GLU A 4 38.872 -3.105 -3.015 1.00 0.00 O ATOM 45 CB GLU A 4 41.544 -2.384 -1.557 1.00 0.00 C ATOM 46 CG GLU A 4 42.099 -1.164 -2.291 1.00 0.00 C ATOM 47 CD GLU A 4 43.628 -1.201 -2.256 1.00 0.00 C ATOM 48 OE1 GLU A 4 44.196 -2.041 -2.935 1.00 0.00 O ATOM 49 OE2 GLU A 4 44.205 -0.390 -1.551 1.00 0.00 O ATOM 0 H GLU A 4 40.923 -2.508 0.736 1.00 0.00 H new ATOM 0 HA GLU A 4 39.730 -1.161 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 4 42.129 -2.578 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 4 41.625 -3.269 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 4 41.748 -1.156 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 4 41.736 -0.249 -1.824 1.00 0.00 H new ATOM 56 N GLU A 5 38.775 -4.184 -1.105 1.00 0.00 N ATOM 57 CA GLU A 5 37.904 -5.239 -1.695 1.00 0.00 C ATOM 58 C GLU A 5 36.479 -4.709 -1.863 1.00 0.00 C ATOM 59 O GLU A 5 35.894 -4.801 -2.924 1.00 0.00 O ATOM 60 CB GLU A 5 37.936 -6.387 -0.687 1.00 0.00 C ATOM 61 CG GLU A 5 39.091 -7.331 -1.029 1.00 0.00 C ATOM 62 CD GLU A 5 38.585 -8.442 -1.950 1.00 0.00 C ATOM 63 OE1 GLU A 5 37.872 -9.306 -1.467 1.00 0.00 O ATOM 64 OE2 GLU A 5 38.919 -8.410 -3.123 1.00 0.00 O ATOM 0 H GLU A 5 39.005 -4.311 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 5 38.244 -5.555 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.058 -5.996 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 5 36.991 -6.929 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 5 39.895 -6.778 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.506 -7.761 -0.117 1.00 0.00 H new ATOM 71 N LEU A 6 35.918 -4.148 -0.827 1.00 0.00 N ATOM 72 CA LEU A 6 34.533 -3.610 -0.940 1.00 0.00 C ATOM 73 C LEU A 6 34.539 -2.397 -1.884 1.00 0.00 C ATOM 74 O LEU A 6 33.568 -2.114 -2.557 1.00 0.00 O ATOM 75 CB LEU A 6 34.115 -3.271 0.517 1.00 0.00 C ATOM 76 CG LEU A 6 34.166 -1.761 0.816 1.00 0.00 C ATOM 77 CD1 LEU A 6 32.879 -1.094 0.330 1.00 0.00 C ATOM 78 CD2 LEU A 6 34.289 -1.542 2.327 1.00 0.00 C ATOM 0 H LEU A 6 36.356 -4.039 0.088 1.00 0.00 H new ATOM 0 HA LEU A 6 33.816 -4.308 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 6 33.104 -3.638 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 6 34.772 -3.797 1.210 1.00 0.00 H new ATOM 0 HG LEU A 6 35.025 -1.327 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.920 -0.026 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.774 -1.245 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.024 -1.535 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 6 34.325 -0.473 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 6 33.428 -1.982 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 6 35.202 -2.014 2.690 1.00 0.00 H new ATOM 90 N GLU A 7 35.638 -1.695 -1.947 1.00 0.00 N ATOM 91 CA GLU A 7 35.724 -0.514 -2.855 1.00 0.00 C ATOM 92 C GLU A 7 35.677 -0.971 -4.314 1.00 0.00 C ATOM 93 O GLU A 7 34.917 -0.460 -5.117 1.00 0.00 O ATOM 94 CB GLU A 7 37.078 0.122 -2.545 1.00 0.00 C ATOM 95 CG GLU A 7 37.062 1.593 -2.967 1.00 0.00 C ATOM 96 CD GLU A 7 37.736 1.738 -4.333 1.00 0.00 C ATOM 97 OE1 GLU A 7 38.942 1.922 -4.360 1.00 0.00 O ATOM 98 OE2 GLU A 7 37.035 1.664 -5.328 1.00 0.00 O ATOM 0 H GLU A 7 36.482 -1.888 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 7 34.899 0.183 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 7 37.294 0.041 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 7 37.870 -0.410 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.036 1.958 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 7 37.582 2.201 -2.226 1.00 0.00 H new ATOM 105 N LYS A 8 36.488 -1.931 -4.664 1.00 0.00 N ATOM 106 CA LYS A 8 36.492 -2.422 -6.070 1.00 0.00 C ATOM 107 C LYS A 8 35.110 -2.949 -6.436 1.00 0.00 C ATOM 108 O LYS A 8 34.543 -2.573 -7.437 1.00 0.00 O ATOM 109 CB LYS A 8 37.531 -3.543 -6.106 1.00 0.00 C ATOM 110 CG LYS A 8 38.924 -2.955 -5.868 1.00 0.00 C ATOM 111 CD LYS A 8 39.473 -2.395 -7.182 1.00 0.00 C ATOM 112 CE LYS A 8 39.872 -3.551 -8.103 1.00 0.00 C ATOM 113 NZ LYS A 8 39.018 -3.386 -9.313 1.00 0.00 N ATOM 0 H LYS A 8 37.146 -2.395 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 8 36.734 -1.635 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 8 37.304 -4.288 -5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.499 -4.052 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 8 38.874 -2.167 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 8 39.593 -3.723 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 8 38.721 -1.773 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 8 40.335 -1.758 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 8 40.931 -3.507 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 8 39.699 -4.515 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 39.500 -3.799 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 38.109 -3.869 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 38.848 -2.374 -9.483 1.00 0.00 H new ATOM 127 N LYS A 9 34.554 -3.800 -5.626 1.00 0.00 N ATOM 128 CA LYS A 9 33.194 -4.323 -5.929 1.00 0.00 C ATOM 129 C LYS A 9 32.213 -3.149 -6.005 1.00 0.00 C ATOM 130 O LYS A 9 31.167 -3.233 -6.616 1.00 0.00 O ATOM 131 CB LYS A 9 32.854 -5.242 -4.756 1.00 0.00 C ATOM 132 CG LYS A 9 33.537 -6.596 -4.955 1.00 0.00 C ATOM 133 CD LYS A 9 32.625 -7.513 -5.773 1.00 0.00 C ATOM 134 CE LYS A 9 32.106 -8.643 -4.882 1.00 0.00 C ATOM 135 NZ LYS A 9 30.763 -8.978 -5.435 1.00 0.00 N ATOM 0 H LYS A 9 34.979 -4.156 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 9 33.141 -4.855 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 9 33.183 -4.791 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 9 31.774 -5.374 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 9 34.490 -6.463 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 9 33.755 -7.051 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 9 31.789 -6.944 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 33.172 -7.926 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 9 32.772 -9.506 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 9 32.037 -8.326 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.206 -9.479 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.271 -8.103 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.874 -9.586 -6.271 1.00 0.00 H new ATOM 149 N PHE A 10 32.555 -2.053 -5.381 1.00 0.00 N ATOM 150 CA PHE A 10 31.665 -0.858 -5.398 1.00 0.00 C ATOM 151 C PHE A 10 31.545 -0.278 -6.814 1.00 0.00 C ATOM 152 O PHE A 10 30.487 -0.296 -7.415 1.00 0.00 O ATOM 153 CB PHE A 10 32.363 0.141 -4.472 1.00 0.00 C ATOM 154 CG PHE A 10 31.356 1.084 -3.867 1.00 0.00 C ATOM 155 CD1 PHE A 10 30.440 0.617 -2.899 1.00 0.00 C ATOM 156 CD2 PHE A 10 31.345 2.442 -4.255 1.00 0.00 C ATOM 157 CE1 PHE A 10 29.510 1.509 -2.322 1.00 0.00 C ATOM 158 CE2 PHE A 10 30.419 3.335 -3.674 1.00 0.00 C ATOM 159 CZ PHE A 10 29.501 2.866 -2.709 1.00 0.00 C ATOM 0 H PHE A 10 33.421 -1.935 -4.856 1.00 0.00 H new ATOM 0 HA PHE A 10 30.650 -1.096 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 10 32.892 -0.393 -3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 10 33.110 0.705 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.451 -0.421 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.045 2.797 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.806 1.153 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 10 30.413 4.375 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.790 3.548 -2.266 1.00 0.00 H new ATOM 169 N LYS A 11 32.617 0.246 -7.349 1.00 0.00 N ATOM 170 CA LYS A 11 32.545 0.841 -8.717 1.00 0.00 C ATOM 171 C LYS A 11 32.238 -0.234 -9.759 1.00 0.00 C ATOM 172 O LYS A 11 31.666 0.034 -10.798 1.00 0.00 O ATOM 173 CB LYS A 11 33.926 1.445 -8.957 1.00 0.00 C ATOM 174 CG LYS A 11 33.971 2.079 -10.349 1.00 0.00 C ATOM 175 CD LYS A 11 33.183 3.391 -10.336 1.00 0.00 C ATOM 176 CE LYS A 11 33.779 4.354 -11.365 1.00 0.00 C ATOM 177 NZ LYS A 11 34.527 5.359 -10.558 1.00 0.00 N ATOM 0 H LYS A 11 33.533 0.288 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 11 31.752 1.585 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.144 2.195 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.692 0.674 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.004 2.265 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 33.549 1.396 -11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.135 3.200 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.216 3.838 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.439 3.833 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.999 4.827 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.966 6.056 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.871 5.843 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.266 4.880 -10.006 1.00 0.00 H new ATOM 191 N GLU A 12 32.609 -1.448 -9.485 1.00 0.00 N ATOM 192 CA GLU A 12 32.341 -2.547 -10.450 1.00 0.00 C ATOM 193 C GLU A 12 30.858 -2.912 -10.420 1.00 0.00 C ATOM 194 O GLU A 12 30.318 -3.441 -11.370 1.00 0.00 O ATOM 195 CB GLU A 12 33.193 -3.718 -9.962 1.00 0.00 C ATOM 196 CG GLU A 12 34.564 -3.670 -10.639 1.00 0.00 C ATOM 197 CD GLU A 12 35.383 -4.892 -10.220 1.00 0.00 C ATOM 198 OE1 GLU A 12 34.791 -5.942 -10.034 1.00 0.00 O ATOM 199 OE2 GLU A 12 36.589 -4.757 -10.092 1.00 0.00 O ATOM 0 H GLU A 12 33.089 -1.730 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 12 32.583 -2.271 -11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.309 -3.671 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 12 32.697 -4.662 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 12 34.446 -3.652 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 12 35.087 -2.755 -10.360 1.00 0.00 H new ATOM 206 N LEU A 13 30.195 -2.628 -9.334 1.00 0.00 N ATOM 207 CA LEU A 13 28.747 -2.954 -9.248 1.00 0.00 C ATOM 208 C LEU A 13 27.935 -1.903 -10.007 1.00 0.00 C ATOM 209 O LEU A 13 26.997 -2.220 -10.710 1.00 0.00 O ATOM 210 CB LEU A 13 28.425 -2.926 -7.756 1.00 0.00 C ATOM 211 CG LEU A 13 28.493 -4.350 -7.203 1.00 0.00 C ATOM 212 CD1 LEU A 13 28.661 -4.296 -5.684 1.00 0.00 C ATOM 213 CD2 LEU A 13 27.202 -5.096 -7.552 1.00 0.00 C ATOM 0 H LEU A 13 30.593 -2.186 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 13 28.504 -3.920 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 13 29.132 -2.284 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 13 27.432 -2.506 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 13 29.342 -4.873 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 13 28.710 -5.310 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 13 29.581 -3.766 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 27.812 -3.774 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 13 27.250 -6.111 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 13 26.351 -4.576 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 13 27.084 -5.133 -8.635 1.00 0.00 H new ATOM 225 N TRP A 14 28.296 -0.655 -9.882 1.00 0.00 N ATOM 226 CA TRP A 14 27.546 0.408 -10.616 1.00 0.00 C ATOM 227 C TRP A 14 27.681 0.189 -12.118 1.00 0.00 C ATOM 228 O TRP A 14 26.719 0.244 -12.858 1.00 0.00 O ATOM 229 CB TRP A 14 28.217 1.720 -10.223 1.00 0.00 C ATOM 230 CG TRP A 14 27.337 2.461 -9.280 1.00 0.00 C ATOM 231 CD1 TRP A 14 26.243 3.188 -9.620 1.00 0.00 C ATOM 232 CD2 TRP A 14 27.458 2.555 -7.844 1.00 0.00 C ATOM 233 NE1 TRP A 14 25.691 3.724 -8.476 1.00 0.00 N ATOM 234 CE2 TRP A 14 26.401 3.362 -7.355 1.00 0.00 C ATOM 235 CE3 TRP A 14 28.381 2.021 -6.916 1.00 0.00 C ATOM 236 CZ2 TRP A 14 26.264 3.631 -5.993 1.00 0.00 C ATOM 237 CZ3 TRP A 14 28.249 2.285 -5.541 1.00 0.00 C ATOM 238 CH2 TRP A 14 27.192 3.088 -5.077 1.00 0.00 C ATOM 0 H TRP A 14 29.072 -0.325 -9.308 1.00 0.00 H new ATOM 0 HA TRP A 14 26.484 0.403 -10.372 1.00 0.00 H new ATOM 0 HB2 TRP A 14 29.183 1.522 -9.758 1.00 0.00 H new ATOM 0 HB3 TRP A 14 28.408 2.324 -11.110 1.00 0.00 H new ATOM 0 HD1 TRP A 14 25.866 3.324 -10.623 1.00 0.00 H new ATOM 0 HE1 TRP A 14 24.860 4.315 -8.463 1.00 0.00 H new ATOM 0 HE3 TRP A 14 29.195 1.404 -7.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 25.453 4.251 -5.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 28.960 1.871 -4.841 1.00 0.00 H new ATOM 0 HH2 TRP A 14 27.090 3.289 -4.021 1.00 0.00 H new ATOM 249 N LYS A 15 28.877 -0.052 -12.571 1.00 0.00 N ATOM 250 CA LYS A 15 29.096 -0.269 -14.023 1.00 0.00 C ATOM 251 C LYS A 15 29.278 -1.762 -14.305 1.00 0.00 C ATOM 252 O LYS A 15 30.368 -2.232 -14.565 1.00 0.00 O ATOM 253 CB LYS A 15 30.367 0.516 -14.328 1.00 0.00 C ATOM 254 CG LYS A 15 30.723 0.363 -15.808 1.00 0.00 C ATOM 255 CD LYS A 15 29.655 1.052 -16.660 1.00 0.00 C ATOM 256 CE LYS A 15 30.288 1.566 -17.954 1.00 0.00 C ATOM 257 NZ LYS A 15 29.161 2.180 -18.711 1.00 0.00 N ATOM 0 H LYS A 15 29.716 -0.108 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 15 28.259 0.058 -14.640 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.223 1.569 -14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.187 0.155 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 15 31.701 0.802 -16.006 1.00 0.00 H new ATOM 0 HG3 LYS A 15 30.789 -0.693 -16.071 1.00 0.00 H new ATOM 0 HD2 LYS A 15 28.850 0.353 -16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.211 1.879 -16.106 1.00 0.00 H new ATOM 0 HE2 LYS A 15 31.071 2.296 -17.749 1.00 0.00 H new ATOM 0 HE3 LYS A 15 30.748 0.755 -18.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 29.514 2.557 -19.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 28.434 1.459 -18.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.747 2.953 -18.151 1.00 0.00 H new ATOM 271 N GLY A 16 28.210 -2.509 -14.243 1.00 0.00 N ATOM 272 CA GLY A 16 28.293 -3.975 -14.493 1.00 0.00 C ATOM 273 C GLY A 16 26.941 -4.609 -14.151 1.00 0.00 C ATOM 274 O GLY A 16 26.062 -4.682 -14.986 1.00 0.00 O ATOM 0 H GLY A 16 27.275 -2.163 -14.028 1.00 0.00 H new ATOM 0 HA2 GLY A 16 28.547 -4.167 -15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 16 29.082 -4.418 -13.886 1.00 0.00 H new ATOM 278 N PRO A 17 26.814 -5.037 -12.921 1.00 0.00 N ATOM 279 CA PRO A 17 25.551 -5.655 -12.458 1.00 0.00 C ATOM 280 C PRO A 17 24.513 -4.559 -12.185 1.00 0.00 C ATOM 281 O PRO A 17 24.620 -3.459 -12.690 1.00 0.00 O ATOM 282 CB PRO A 17 25.955 -6.369 -11.170 1.00 0.00 C ATOM 283 CG PRO A 17 27.162 -5.635 -10.671 1.00 0.00 C ATOM 284 CD PRO A 17 27.828 -4.988 -11.860 1.00 0.00 C ATOM 0 HA PRO A 17 25.100 -6.334 -13.182 1.00 0.00 H new ATOM 0 HB2 PRO A 17 25.149 -6.344 -10.437 1.00 0.00 H new ATOM 0 HB3 PRO A 17 26.183 -7.418 -11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 17 26.876 -4.882 -9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 17 27.848 -6.321 -10.174 1.00 0.00 H new ATOM 0 HD2 PRO A 17 28.123 -3.962 -11.640 1.00 0.00 H new ATOM 0 HD3 PRO A 17 28.732 -5.524 -12.149 1.00 0.00 H new ATOM 292 N ARG A 18 23.513 -4.843 -11.392 1.00 0.00 N ATOM 293 CA ARG A 18 22.480 -3.806 -11.091 1.00 0.00 C ATOM 294 C ARG A 18 23.150 -2.487 -10.675 1.00 0.00 C ATOM 295 O ARG A 18 24.355 -2.409 -10.536 1.00 0.00 O ATOM 296 CB ARG A 18 21.637 -4.402 -9.944 1.00 0.00 C ATOM 297 CG ARG A 18 22.320 -4.194 -8.578 1.00 0.00 C ATOM 298 CD ARG A 18 23.619 -5.002 -8.513 1.00 0.00 C ATOM 299 NE ARG A 18 23.212 -6.423 -8.737 1.00 0.00 N ATOM 300 CZ ARG A 18 22.380 -7.008 -7.914 1.00 0.00 C ATOM 301 NH1 ARG A 18 22.290 -6.602 -6.677 1.00 0.00 N ATOM 302 NH2 ARG A 18 21.639 -7.998 -8.331 1.00 0.00 N ATOM 0 H ARG A 18 23.366 -5.746 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 18 21.861 -3.570 -11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.652 -3.936 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.484 -5.467 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 18 22.532 -3.136 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.649 -4.503 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 18 24.326 -4.671 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 18 24.109 -4.881 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 18 23.584 -6.938 -9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.869 -5.828 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.641 -7.059 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.709 -8.315 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.990 -8.455 -7.690 1.00 0.00 H new ATOM 316 N ARG A 19 22.381 -1.457 -10.465 1.00 0.00 N ATOM 317 CA ARG A 19 22.986 -0.159 -10.053 1.00 0.00 C ATOM 318 C ARG A 19 22.129 0.521 -8.979 1.00 0.00 C ATOM 319 O ARG A 19 22.641 1.125 -8.059 1.00 0.00 O ATOM 320 CB ARG A 19 23.022 0.687 -11.324 1.00 0.00 C ATOM 321 CG ARG A 19 23.977 1.865 -11.123 1.00 0.00 C ATOM 322 CD ARG A 19 24.168 2.600 -12.450 1.00 0.00 C ATOM 323 NE ARG A 19 23.108 3.646 -12.464 1.00 0.00 N ATOM 324 CZ ARG A 19 22.964 4.413 -13.510 1.00 0.00 C ATOM 325 NH1 ARG A 19 22.822 3.881 -14.693 1.00 0.00 N ATOM 326 NH2 ARG A 19 22.962 5.710 -13.373 1.00 0.00 N ATOM 0 H ARG A 19 21.365 -1.456 -10.560 1.00 0.00 H new ATOM 0 HA ARG A 19 23.979 -0.292 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 19 23.348 0.080 -12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.022 1.051 -11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 19 23.577 2.547 -10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 19 24.938 1.509 -10.751 1.00 0.00 H new ATOM 0 HD2 ARG A 19 25.162 3.043 -12.517 1.00 0.00 H new ATOM 0 HD3 ARG A 19 24.064 1.921 -13.296 1.00 0.00 H new ATOM 0 HE ARG A 19 22.495 3.763 -11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 19 22.824 2.867 -14.800 1.00 0.00 H new ATOM 0 HH12 ARG A 19 22.709 4.480 -15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.073 6.125 -12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.849 6.309 -14.191 1.00 0.00 H new ATOM 340 N GLY A 20 20.832 0.436 -9.090 1.00 0.00 N ATOM 341 CA GLY A 20 19.953 1.087 -8.077 1.00 0.00 C ATOM 342 C GLY A 20 20.144 0.417 -6.713 1.00 0.00 C ATOM 343 O GLY A 20 20.133 1.067 -5.687 1.00 0.00 O ATOM 0 H GLY A 20 20.343 -0.056 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.189 2.149 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.910 1.012 -8.386 1.00 0.00 H new ATOM 347 N GLU A 21 20.312 -0.877 -6.690 1.00 0.00 N ATOM 348 CA GLU A 21 20.496 -1.582 -5.388 1.00 0.00 C ATOM 349 C GLU A 21 21.857 -1.233 -4.776 1.00 0.00 C ATOM 350 O GLU A 21 22.023 -1.226 -3.573 1.00 0.00 O ATOM 351 CB GLU A 21 20.425 -3.069 -5.731 1.00 0.00 C ATOM 352 CG GLU A 21 19.012 -3.588 -5.457 1.00 0.00 C ATOM 353 CD GLU A 21 19.093 -4.966 -4.797 1.00 0.00 C ATOM 354 OE1 GLU A 21 19.534 -5.892 -5.457 1.00 0.00 O ATOM 355 OE2 GLU A 21 18.712 -5.071 -3.642 1.00 0.00 O ATOM 0 H GLU A 21 20.330 -1.477 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 21 19.742 -1.295 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.684 -3.225 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.150 -3.625 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.477 -2.894 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.450 -3.652 -6.389 1.00 0.00 H new ATOM 362 N ILE A 22 22.831 -0.941 -5.594 1.00 0.00 N ATOM 363 CA ILE A 22 24.177 -0.590 -5.055 1.00 0.00 C ATOM 364 C ILE A 22 24.138 0.803 -4.428 1.00 0.00 C ATOM 365 O ILE A 22 24.513 0.996 -3.286 1.00 0.00 O ATOM 366 CB ILE A 22 25.104 -0.614 -6.268 1.00 0.00 C ATOM 367 CG1 ILE A 22 25.032 -1.990 -6.937 1.00 0.00 C ATOM 368 CG2 ILE A 22 26.539 -0.324 -5.820 1.00 0.00 C ATOM 369 CD1 ILE A 22 25.576 -3.065 -5.989 1.00 0.00 C ATOM 0 H ILE A 22 22.754 -0.930 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 22 24.511 -1.278 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 22 24.793 0.148 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.001 -2.219 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.609 -1.984 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.201 -0.341 -6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 22 26.582 0.658 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.857 -1.083 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.520 -4.040 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.614 -2.841 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.981 -3.080 -5.076 1.00 0.00 H new ATOM 381 N GLU A 23 23.675 1.776 -5.155 1.00 0.00 N ATOM 382 CA GLU A 23 23.594 3.140 -4.586 1.00 0.00 C ATOM 383 C GLU A 23 22.663 3.109 -3.375 1.00 0.00 C ATOM 384 O GLU A 23 22.791 3.896 -2.455 1.00 0.00 O ATOM 385 CB GLU A 23 23.060 4.000 -5.736 1.00 0.00 C ATOM 386 CG GLU A 23 22.937 5.452 -5.295 1.00 0.00 C ATOM 387 CD GLU A 23 21.462 5.860 -5.267 1.00 0.00 C ATOM 388 OE1 GLU A 23 20.825 5.636 -4.251 1.00 0.00 O ATOM 389 OE2 GLU A 23 20.995 6.388 -6.262 1.00 0.00 O ATOM 0 H GLU A 23 23.350 1.684 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 23 24.542 3.539 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.729 3.928 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.088 3.627 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.379 5.581 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.490 6.097 -5.978 1.00 0.00 H new ATOM 396 N GLU A 24 21.763 2.163 -3.337 1.00 0.00 N ATOM 397 CA GLU A 24 20.876 2.045 -2.153 1.00 0.00 C ATOM 398 C GLU A 24 21.733 1.561 -0.986 1.00 0.00 C ATOM 399 O GLU A 24 21.578 1.985 0.143 1.00 0.00 O ATOM 400 CB GLU A 24 19.824 1.003 -2.534 1.00 0.00 C ATOM 401 CG GLU A 24 18.842 0.825 -1.374 1.00 0.00 C ATOM 402 CD GLU A 24 17.764 -0.186 -1.770 1.00 0.00 C ATOM 403 OE1 GLU A 24 17.971 -1.365 -1.536 1.00 0.00 O ATOM 404 OE2 GLU A 24 16.750 0.236 -2.301 1.00 0.00 O ATOM 0 H GLU A 24 21.607 1.473 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 24 20.397 2.981 -1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.291 1.319 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.305 0.053 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.371 0.480 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.384 1.781 -1.121 1.00 0.00 H new ATOM 411 N LEU A 25 22.663 0.688 -1.273 1.00 0.00 N ATOM 412 CA LEU A 25 23.575 0.178 -0.211 1.00 0.00 C ATOM 413 C LEU A 25 24.388 1.342 0.350 1.00 0.00 C ATOM 414 O LEU A 25 24.816 1.322 1.483 1.00 0.00 O ATOM 415 CB LEU A 25 24.503 -0.821 -0.909 1.00 0.00 C ATOM 416 CG LEU A 25 25.437 -1.456 0.125 1.00 0.00 C ATOM 417 CD1 LEU A 25 24.754 -2.668 0.761 1.00 0.00 C ATOM 418 CD2 LEU A 25 26.730 -1.903 -0.560 1.00 0.00 C ATOM 0 H LEU A 25 22.830 0.305 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 25 23.034 -0.287 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 25 23.916 -1.593 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 25 25.085 -0.316 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 25 25.668 -0.724 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 25 25.421 -3.117 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.834 -2.351 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 24.519 -3.400 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 27.394 -2.355 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 26.497 -2.633 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 27.221 -1.040 -1.010 1.00 0.00 H new ATOM 430 N HIS A 26 24.601 2.361 -0.443 1.00 0.00 N ATOM 431 CA HIS A 26 25.382 3.534 0.046 1.00 0.00 C ATOM 432 C HIS A 26 24.518 4.370 0.997 1.00 0.00 C ATOM 433 O HIS A 26 24.988 4.866 2.001 1.00 0.00 O ATOM 434 CB HIS A 26 25.751 4.331 -1.205 1.00 0.00 C ATOM 435 CG HIS A 26 26.409 5.620 -0.795 1.00 0.00 C ATOM 436 ND1 HIS A 26 27.682 5.667 -0.250 1.00 0.00 N ATOM 437 CD2 HIS A 26 25.971 6.915 -0.836 1.00 0.00 C ATOM 438 CE1 HIS A 26 27.962 6.959 0.012 1.00 0.00 C ATOM 439 NE2 HIS A 26 26.950 7.761 -0.326 1.00 0.00 N ATOM 0 H HIS A 26 24.269 2.430 -1.405 1.00 0.00 H new ATOM 0 HA HIS A 26 26.273 3.239 0.600 1.00 0.00 H new ATOM 0 HB2 HIS A 26 26.424 3.750 -1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 26 24.859 4.536 -1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 26 25.009 7.233 -1.209 1.00 0.00 H new ATOM 0 HE1 HIS A 26 28.891 7.303 0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 26 26.904 8.776 -0.231 1.00 0.00 H new ATOM 447 N LYS A 27 23.257 4.525 0.702 1.00 0.00 N ATOM 448 CA LYS A 27 22.389 5.317 1.619 1.00 0.00 C ATOM 449 C LYS A 27 22.406 4.658 3.000 1.00 0.00 C ATOM 450 O LYS A 27 22.623 5.302 4.011 1.00 0.00 O ATOM 451 CB LYS A 27 20.990 5.262 1.005 1.00 0.00 C ATOM 452 CG LYS A 27 20.463 6.685 0.812 1.00 0.00 C ATOM 453 CD LYS A 27 20.620 7.095 -0.653 1.00 0.00 C ATOM 454 CE LYS A 27 19.261 7.027 -1.351 1.00 0.00 C ATOM 455 NZ LYS A 27 18.878 8.449 -1.579 1.00 0.00 N ATOM 0 H LYS A 27 22.794 4.143 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 27 22.721 6.348 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 21.021 4.741 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 27 20.319 4.699 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.414 6.738 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 21.009 7.376 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 27 21.024 8.106 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 21.330 6.436 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.326 6.479 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.524 6.513 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.954 8.488 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.818 8.943 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.594 8.910 -2.175 1.00 0.00 H new ATOM 469 N LYS A 28 22.205 3.369 3.046 1.00 0.00 N ATOM 470 CA LYS A 28 22.236 2.661 4.354 1.00 0.00 C ATOM 471 C LYS A 28 23.626 2.819 4.971 1.00 0.00 C ATOM 472 O LYS A 28 23.769 3.071 6.148 1.00 0.00 O ATOM 473 CB LYS A 28 21.952 1.196 4.023 1.00 0.00 C ATOM 474 CG LYS A 28 20.484 0.880 4.317 1.00 0.00 C ATOM 475 CD LYS A 28 19.628 1.248 3.103 1.00 0.00 C ATOM 476 CE LYS A 28 18.219 0.681 3.284 1.00 0.00 C ATOM 477 NZ LYS A 28 18.033 -0.252 2.136 1.00 0.00 N ATOM 0 H LYS A 28 22.021 2.778 2.235 1.00 0.00 H new ATOM 0 HA LYS A 28 21.511 3.052 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 28 22.174 1.000 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 28 22.600 0.547 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.369 -0.179 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.150 1.436 5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.584 2.331 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.078 0.851 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.122 0.160 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.470 1.473 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.101 -0.708 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.091 0.279 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.777 -0.979 2.155 1.00 0.00 H new ATOM 491 N PHE A 29 24.653 2.693 4.166 1.00 0.00 N ATOM 492 CA PHE A 29 26.049 2.853 4.675 1.00 0.00 C ATOM 493 C PHE A 29 26.154 4.152 5.473 1.00 0.00 C ATOM 494 O PHE A 29 26.817 4.221 6.489 1.00 0.00 O ATOM 495 CB PHE A 29 26.917 2.920 3.414 1.00 0.00 C ATOM 496 CG PHE A 29 27.395 1.538 3.005 1.00 0.00 C ATOM 497 CD1 PHE A 29 26.763 0.369 3.501 1.00 0.00 C ATOM 498 CD2 PHE A 29 28.482 1.421 2.112 1.00 0.00 C ATOM 499 CE1 PHE A 29 27.222 -0.906 3.104 1.00 0.00 C ATOM 500 CE2 PHE A 29 28.939 0.147 1.716 1.00 0.00 C ATOM 501 CZ PHE A 29 28.311 -1.017 2.211 1.00 0.00 C ATOM 0 H PHE A 29 24.582 2.484 3.170 1.00 0.00 H new ATOM 0 HA PHE A 29 26.357 2.043 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.347 3.367 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 29 27.776 3.567 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 29 25.930 0.454 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.965 2.309 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 29 26.741 -1.796 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.771 0.061 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 29 28.663 -1.992 1.907 1.00 0.00 H new ATOM 511 N HIS A 30 25.482 5.178 5.027 1.00 0.00 N ATOM 512 CA HIS A 30 25.516 6.467 5.768 1.00 0.00 C ATOM 513 C HIS A 30 24.822 6.273 7.112 1.00 0.00 C ATOM 514 O HIS A 30 25.311 6.688 8.143 1.00 0.00 O ATOM 515 CB HIS A 30 24.750 7.453 4.884 1.00 0.00 C ATOM 516 CG HIS A 30 24.820 8.830 5.486 1.00 0.00 C ATOM 517 ND1 HIS A 30 24.137 9.908 4.944 1.00 0.00 N ATOM 518 CD2 HIS A 30 25.487 9.321 6.581 1.00 0.00 C ATOM 519 CE1 HIS A 30 24.407 10.984 5.706 1.00 0.00 C ATOM 520 NE2 HIS A 30 25.225 10.681 6.718 1.00 0.00 N ATOM 0 H HIS A 30 24.911 5.178 4.181 1.00 0.00 H new ATOM 0 HA HIS A 30 26.525 6.827 5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 30 25.174 7.462 3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 30 23.710 7.139 4.788 1.00 0.00 H new ATOM 0 HD1 HIS A 30 23.539 9.889 4.118 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.119 8.740 7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 30 24.011 11.972 5.522 1.00 0.00 H new ATOM 528 N GLU A 31 23.699 5.606 7.113 1.00 0.00 N ATOM 529 CA GLU A 31 22.995 5.343 8.400 1.00 0.00 C ATOM 530 C GLU A 31 23.606 4.103 9.074 1.00 0.00 C ATOM 531 O GLU A 31 23.139 3.645 10.098 1.00 0.00 O ATOM 532 CB GLU A 31 21.538 5.085 8.015 1.00 0.00 C ATOM 533 CG GLU A 31 20.632 5.438 9.196 1.00 0.00 C ATOM 534 CD GLU A 31 19.207 4.959 8.909 1.00 0.00 C ATOM 535 OE1 GLU A 31 18.902 3.830 9.255 1.00 0.00 O ATOM 536 OE2 GLU A 31 18.446 5.730 8.348 1.00 0.00 O ATOM 0 H GLU A 31 23.241 5.233 6.281 1.00 0.00 H new ATOM 0 HA GLU A 31 23.081 6.172 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 31 21.269 5.683 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.403 4.039 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.007 4.972 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.638 6.515 9.363 1.00 0.00 H new ATOM 543 N LEU A 32 24.655 3.563 8.501 1.00 0.00 N ATOM 544 CA LEU A 32 25.317 2.363 9.085 1.00 0.00 C ATOM 545 C LEU A 32 26.469 2.805 9.983 1.00 0.00 C ATOM 546 O LEU A 32 26.773 2.180 10.980 1.00 0.00 O ATOM 547 CB LEU A 32 25.867 1.610 7.867 1.00 0.00 C ATOM 548 CG LEU A 32 26.055 0.122 8.179 1.00 0.00 C ATOM 549 CD1 LEU A 32 26.494 -0.595 6.901 1.00 0.00 C ATOM 550 CD2 LEU A 32 27.136 -0.063 9.246 1.00 0.00 C ATOM 0 H LEU A 32 25.083 3.910 7.643 1.00 0.00 H new ATOM 0 HA LEU A 32 24.643 1.754 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 32 25.184 1.725 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 32 26.820 2.045 7.566 1.00 0.00 H new ATOM 0 HG LEU A 32 25.116 -0.290 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 26.632 -1.656 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 25.730 -0.471 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 27.434 -0.169 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 32 27.260 -1.125 9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 32 28.079 0.347 8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 32 26.841 0.457 10.157 1.00 0.00 H new ATOM 562 N ILE A 33 27.134 3.869 9.620 1.00 0.00 N ATOM 563 CA ILE A 33 28.292 4.330 10.439 1.00 0.00 C ATOM 564 C ILE A 33 28.066 5.756 10.960 1.00 0.00 C ATOM 565 O ILE A 33 28.837 6.264 11.750 1.00 0.00 O ATOM 566 CB ILE A 33 29.490 4.271 9.482 1.00 0.00 C ATOM 567 CG1 ILE A 33 29.331 5.332 8.389 1.00 0.00 C ATOM 568 CG2 ILE A 33 29.561 2.876 8.843 1.00 0.00 C ATOM 569 CD1 ILE A 33 30.558 5.324 7.480 1.00 0.00 C ATOM 0 H ILE A 33 26.927 4.436 8.797 1.00 0.00 H new ATOM 0 HA ILE A 33 28.444 3.712 11.324 1.00 0.00 H new ATOM 0 HB ILE A 33 30.408 4.465 10.036 1.00 0.00 H new ATOM 0 HG12 ILE A 33 28.432 5.134 7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.207 6.317 8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 33 30.411 2.830 8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 29.680 2.124 9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 33 28.642 2.682 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 33 30.441 6.080 6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 33 31.449 5.543 8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.662 4.342 7.017 1.00 0.00 H new ATOM 581 N LYS A 34 27.018 6.406 10.529 1.00 0.00 N ATOM 582 CA LYS A 34 26.753 7.793 11.008 1.00 0.00 C ATOM 583 C LYS A 34 25.480 7.825 11.857 1.00 0.00 C ATOM 584 O LYS A 34 24.659 6.931 11.795 1.00 0.00 O ATOM 585 CB LYS A 34 26.571 8.623 9.737 1.00 0.00 C ATOM 586 CG LYS A 34 27.050 10.054 9.991 1.00 0.00 C ATOM 587 CD LYS A 34 28.426 10.252 9.351 1.00 0.00 C ATOM 588 CE LYS A 34 28.292 10.197 7.828 1.00 0.00 C ATOM 589 NZ LYS A 34 29.471 10.949 7.314 1.00 0.00 N ATOM 0 H LYS A 34 26.335 6.037 9.867 1.00 0.00 H new ATOM 0 HA LYS A 34 27.560 8.176 11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.135 8.180 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 34 25.523 8.626 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 34 26.338 10.767 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.104 10.246 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 28.846 11.211 9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.113 9.479 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.292 9.168 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.358 10.651 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 29.451 10.957 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 29.441 11.926 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 30.345 10.490 7.640 1.00 0.00 H new ATOM 603 N GLY A 35 25.308 8.848 12.649 1.00 0.00 N ATOM 604 CA GLY A 35 24.087 8.934 13.500 1.00 0.00 C ATOM 605 C GLY A 35 23.878 10.382 13.948 1.00 0.00 C ATOM 606 O GLY A 35 24.845 11.126 13.951 1.00 0.00 O ATOM 607 OXT GLY A 35 22.755 10.723 14.280 1.00 0.00 O ATOM 0 H GLY A 35 25.959 9.627 12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 35 23.217 8.585 12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 35 24.190 8.284 14.369 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 23.124 -10.411 -7.647 1.00 0.00 N ATOM 613 CA GLY B 1 23.308 -9.589 -6.417 1.00 0.00 C ATOM 614 C GLY B 1 24.658 -8.872 -6.481 1.00 0.00 C ATOM 615 O GLY B 1 24.740 -7.709 -6.824 1.00 0.00 O ATOM 0 H1 GLY B 1 22.126 -10.691 -7.731 1.00 0.00 H new ATOM 0 H2 GLY B 1 23.399 -9.854 -8.481 1.00 0.00 H new ATOM 0 H3 GLY B 1 23.719 -11.262 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY B 1 22.501 -8.861 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.263 -10.224 -5.532 1.00 0.00 H new ATOM 621 N GLU B 2 25.718 -9.561 -6.151 1.00 0.00 N ATOM 622 CA GLU B 2 27.074 -8.934 -6.187 1.00 0.00 C ATOM 623 C GLU B 2 27.119 -7.674 -5.313 1.00 0.00 C ATOM 624 O GLU B 2 28.012 -6.863 -5.435 1.00 0.00 O ATOM 625 CB GLU B 2 27.315 -8.578 -7.656 1.00 0.00 C ATOM 626 CG GLU B 2 27.880 -9.797 -8.389 1.00 0.00 C ATOM 627 CD GLU B 2 29.407 -9.710 -8.422 1.00 0.00 C ATOM 628 OE1 GLU B 2 29.915 -8.767 -9.005 1.00 0.00 O ATOM 629 OE2 GLU B 2 30.042 -10.589 -7.863 1.00 0.00 O ATOM 0 H GLU B 2 25.704 -10.537 -5.856 1.00 0.00 H new ATOM 0 HA GLU B 2 27.839 -9.607 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU B 2 26.382 -8.260 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU B 2 28.010 -7.741 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU B 2 27.568 -10.713 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU B 2 27.486 -9.839 -9.404 1.00 0.00 H new ATOM 636 N VAL B 3 26.175 -7.508 -4.426 1.00 0.00 N ATOM 637 CA VAL B 3 26.186 -6.302 -3.546 1.00 0.00 C ATOM 638 C VAL B 3 26.330 -6.731 -2.085 1.00 0.00 C ATOM 639 O VAL B 3 26.944 -6.056 -1.283 1.00 0.00 O ATOM 640 CB VAL B 3 24.839 -5.612 -3.783 1.00 0.00 C ATOM 641 CG1 VAL B 3 23.699 -6.522 -3.315 1.00 0.00 C ATOM 642 CG2 VAL B 3 24.795 -4.298 -3.000 1.00 0.00 C ATOM 0 H VAL B 3 25.399 -8.152 -4.272 1.00 0.00 H new ATOM 0 HA VAL B 3 27.017 -5.633 -3.767 1.00 0.00 H new ATOM 0 HB VAL B 3 24.722 -5.409 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL B 3 22.744 -6.026 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL B 3 23.727 -7.457 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL B 3 23.814 -6.731 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL B 3 23.837 -3.806 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL B 3 24.916 -4.504 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL B 3 25.601 -3.646 -3.337 1.00 0.00 H new ATOM 652 N GLU B 4 25.771 -7.858 -1.739 1.00 0.00 N ATOM 653 CA GLU B 4 25.876 -8.345 -0.335 1.00 0.00 C ATOM 654 C GLU B 4 27.339 -8.623 0.025 1.00 0.00 C ATOM 655 O GLU B 4 27.684 -8.773 1.179 1.00 0.00 O ATOM 656 CB GLU B 4 25.071 -9.642 -0.309 1.00 0.00 C ATOM 657 CG GLU B 4 23.950 -9.524 0.723 1.00 0.00 C ATOM 658 CD GLU B 4 22.885 -10.586 0.444 1.00 0.00 C ATOM 659 OE1 GLU B 4 23.164 -11.751 0.673 1.00 0.00 O ATOM 660 OE2 GLU B 4 21.808 -10.216 0.005 1.00 0.00 O ATOM 0 H GLU B 4 25.245 -8.463 -2.369 1.00 0.00 H new ATOM 0 HA GLU B 4 25.505 -7.613 0.383 1.00 0.00 H new ATOM 0 HB2 GLU B 4 24.652 -9.843 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU B 4 25.721 -10.481 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU B 4 24.352 -9.652 1.728 1.00 0.00 H new ATOM 0 HG3 GLU B 4 23.506 -8.529 0.681 1.00 0.00 H new ATOM 667 N GLU B 5 28.202 -8.697 -0.953 1.00 0.00 N ATOM 668 CA GLU B 5 29.637 -8.969 -0.659 1.00 0.00 C ATOM 669 C GLU B 5 30.305 -7.714 -0.096 1.00 0.00 C ATOM 670 O GLU B 5 30.946 -7.751 0.936 1.00 0.00 O ATOM 671 CB GLU B 5 30.251 -9.346 -2.007 1.00 0.00 C ATOM 672 CG GLU B 5 30.137 -10.858 -2.213 1.00 0.00 C ATOM 673 CD GLU B 5 31.402 -11.541 -1.689 1.00 0.00 C ATOM 674 OE1 GLU B 5 32.427 -11.423 -2.339 1.00 0.00 O ATOM 675 OE2 GLU B 5 31.323 -12.171 -0.647 1.00 0.00 O ATOM 0 H GLU B 5 27.975 -8.581 -1.941 1.00 0.00 H new ATOM 0 HA GLU B 5 29.767 -9.758 0.082 1.00 0.00 H new ATOM 0 HB2 GLU B 5 29.739 -8.819 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU B 5 31.297 -9.041 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU B 5 29.261 -11.242 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU B 5 30.001 -11.082 -3.271 1.00 0.00 H new ATOM 682 N LEU B 6 30.157 -6.601 -0.761 1.00 0.00 N ATOM 683 CA LEU B 6 30.784 -5.351 -0.251 1.00 0.00 C ATOM 684 C LEU B 6 30.088 -4.935 1.055 1.00 0.00 C ATOM 685 O LEU B 6 30.685 -4.332 1.926 1.00 0.00 O ATOM 686 CB LEU B 6 30.622 -4.323 -1.404 1.00 0.00 C ATOM 687 CG LEU B 6 29.500 -3.302 -1.140 1.00 0.00 C ATOM 688 CD1 LEU B 6 30.027 -2.172 -0.255 1.00 0.00 C ATOM 689 CD2 LEU B 6 29.031 -2.701 -2.470 1.00 0.00 C ATOM 0 H LEU B 6 29.632 -6.504 -1.630 1.00 0.00 H new ATOM 0 HA LEU B 6 31.839 -5.451 0.003 1.00 0.00 H new ATOM 0 HB2 LEU B 6 31.563 -3.793 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU B 6 30.412 -4.855 -2.332 1.00 0.00 H new ATOM 0 HG LEU B 6 28.672 -3.807 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU B 6 29.230 -1.452 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU B 6 30.371 -2.583 0.694 1.00 0.00 H new ATOM 0 HD13 LEU B 6 30.857 -1.674 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU B 6 28.237 -1.978 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU B 6 29.868 -2.202 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU B 6 28.655 -3.495 -3.115 1.00 0.00 H new ATOM 701 N GLU B 7 28.836 -5.274 1.200 1.00 0.00 N ATOM 702 CA GLU B 7 28.101 -4.920 2.449 1.00 0.00 C ATOM 703 C GLU B 7 28.673 -5.702 3.633 1.00 0.00 C ATOM 704 O GLU B 7 28.983 -5.148 4.672 1.00 0.00 O ATOM 705 CB GLU B 7 26.657 -5.344 2.188 1.00 0.00 C ATOM 706 CG GLU B 7 25.720 -4.562 3.111 1.00 0.00 C ATOM 707 CD GLU B 7 25.352 -5.430 4.316 1.00 0.00 C ATOM 708 OE1 GLU B 7 24.374 -6.153 4.224 1.00 0.00 O ATOM 709 OE2 GLU B 7 26.054 -5.355 5.311 1.00 0.00 O ATOM 0 H GLU B 7 28.288 -5.782 0.506 1.00 0.00 H new ATOM 0 HA GLU B 7 28.182 -3.860 2.691 1.00 0.00 H new ATOM 0 HB2 GLU B 7 26.395 -5.160 1.146 1.00 0.00 H new ATOM 0 HB3 GLU B 7 26.544 -6.414 2.360 1.00 0.00 H new ATOM 0 HG2 GLU B 7 26.203 -3.644 3.445 1.00 0.00 H new ATOM 0 HG3 GLU B 7 24.819 -4.270 2.571 1.00 0.00 H new ATOM 716 N LYS B 8 28.814 -6.990 3.483 1.00 0.00 N ATOM 717 CA LYS B 8 29.365 -7.809 4.598 1.00 0.00 C ATOM 718 C LYS B 8 30.763 -7.320 4.955 1.00 0.00 C ATOM 719 O LYS B 8 31.060 -7.056 6.099 1.00 0.00 O ATOM 720 CB LYS B 8 29.406 -9.241 4.066 1.00 0.00 C ATOM 721 CG LYS B 8 27.978 -9.747 3.850 1.00 0.00 C ATOM 722 CD LYS B 8 27.409 -10.250 5.179 1.00 0.00 C ATOM 723 CE LYS B 8 28.067 -11.583 5.543 1.00 0.00 C ATOM 724 NZ LYS B 8 28.742 -11.331 6.848 1.00 0.00 N ATOM 0 H LYS B 8 28.572 -7.509 2.639 1.00 0.00 H new ATOM 0 HA LYS B 8 28.762 -7.740 5.503 1.00 0.00 H new ATOM 0 HB2 LYS B 8 29.961 -9.276 3.129 1.00 0.00 H new ATOM 0 HB3 LYS B 8 29.929 -9.887 4.771 1.00 0.00 H new ATOM 0 HG2 LYS B 8 27.353 -8.947 3.454 1.00 0.00 H new ATOM 0 HG3 LYS B 8 27.973 -10.550 3.113 1.00 0.00 H new ATOM 0 HD2 LYS B 8 27.589 -9.517 5.965 1.00 0.00 H new ATOM 0 HD3 LYS B 8 26.329 -10.375 5.101 1.00 0.00 H new ATOM 0 HE2 LYS B 8 27.327 -12.379 5.628 1.00 0.00 H new ATOM 0 HE3 LYS B 8 28.782 -11.892 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 28.768 -12.211 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 29.713 -11.000 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 28.216 -10.606 7.376 1.00 0.00 H new ATOM 738 N LYS B 9 31.619 -7.177 3.987 1.00 0.00 N ATOM 739 CA LYS B 9 32.989 -6.677 4.285 1.00 0.00 C ATOM 740 C LYS B 9 32.887 -5.293 4.929 1.00 0.00 C ATOM 741 O LYS B 9 33.779 -4.846 5.622 1.00 0.00 O ATOM 742 CB LYS B 9 33.682 -6.594 2.926 1.00 0.00 C ATOM 743 CG LYS B 9 34.164 -7.986 2.513 1.00 0.00 C ATOM 744 CD LYS B 9 35.567 -8.228 3.073 1.00 0.00 C ATOM 745 CE LYS B 9 36.576 -8.258 1.924 1.00 0.00 C ATOM 746 NZ LYS B 9 37.844 -7.748 2.517 1.00 0.00 N ATOM 0 H LYS B 9 31.432 -7.383 3.006 1.00 0.00 H new ATOM 0 HA LYS B 9 33.538 -7.319 4.974 1.00 0.00 H new ATOM 0 HB2 LYS B 9 32.994 -6.199 2.179 1.00 0.00 H new ATOM 0 HB3 LYS B 9 34.526 -5.906 2.978 1.00 0.00 H new ATOM 0 HG2 LYS B 9 33.477 -8.746 2.885 1.00 0.00 H new ATOM 0 HG3 LYS B 9 34.175 -8.071 1.426 1.00 0.00 H new ATOM 0 HD2 LYS B 9 35.829 -7.441 3.780 1.00 0.00 H new ATOM 0 HD3 LYS B 9 35.594 -9.170 3.620 1.00 0.00 H new ATOM 0 HE2 LYS B 9 36.700 -9.268 1.533 1.00 0.00 H new ATOM 0 HE3 LYS B 9 36.248 -7.633 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 38.513 -7.513 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 37.646 -6.896 3.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 38.259 -8.479 3.130 1.00 0.00 H new ATOM 760 N PHE B 10 31.794 -4.615 4.699 1.00 0.00 N ATOM 761 CA PHE B 10 31.603 -3.257 5.283 1.00 0.00 C ATOM 762 C PHE B 10 31.503 -3.323 6.813 1.00 0.00 C ATOM 763 O PHE B 10 32.357 -2.823 7.523 1.00 0.00 O ATOM 764 CB PHE B 10 30.278 -2.777 4.684 1.00 0.00 C ATOM 765 CG PHE B 10 30.248 -1.272 4.624 1.00 0.00 C ATOM 766 CD1 PHE B 10 31.070 -0.583 3.706 1.00 0.00 C ATOM 767 CD2 PHE B 10 29.378 -0.554 5.473 1.00 0.00 C ATOM 768 CE1 PHE B 10 31.025 0.826 3.641 1.00 0.00 C ATOM 769 CE2 PHE B 10 29.328 0.855 5.404 1.00 0.00 C ATOM 770 CZ PHE B 10 30.154 1.543 4.488 1.00 0.00 C ATOM 0 H PHE B 10 31.019 -4.948 4.126 1.00 0.00 H new ATOM 0 HA PHE B 10 32.437 -2.591 5.061 1.00 0.00 H new ATOM 0 HB2 PHE B 10 30.152 -3.191 3.683 1.00 0.00 H new ATOM 0 HB3 PHE B 10 29.445 -3.141 5.286 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.732 -1.133 3.054 1.00 0.00 H new ATOM 0 HD2 PHE B 10 28.751 -1.083 6.175 1.00 0.00 H new ATOM 0 HE1 PHE B 10 31.657 1.355 2.943 1.00 0.00 H new ATOM 0 HE2 PHE B 10 28.660 1.405 6.050 1.00 0.00 H new ATOM 0 HZ PHE B 10 30.119 2.621 4.436 1.00 0.00 H new ATOM 780 N LYS B 11 30.465 -3.926 7.331 1.00 0.00 N ATOM 781 CA LYS B 11 30.316 -3.996 8.817 1.00 0.00 C ATOM 782 C LYS B 11 31.435 -4.835 9.433 1.00 0.00 C ATOM 783 O LYS B 11 31.814 -4.648 10.574 1.00 0.00 O ATOM 784 CB LYS B 11 28.960 -4.657 9.045 1.00 0.00 C ATOM 785 CG LYS B 11 28.703 -4.791 10.548 1.00 0.00 C ATOM 786 CD LYS B 11 28.354 -3.419 11.129 1.00 0.00 C ATOM 787 CE LYS B 11 27.428 -3.596 12.334 1.00 0.00 C ATOM 788 NZ LYS B 11 26.081 -3.189 11.843 1.00 0.00 N ATOM 0 H LYS B 11 29.719 -4.370 6.796 1.00 0.00 H new ATOM 0 HA LYS B 11 30.376 -3.012 9.281 1.00 0.00 H new ATOM 0 HB2 LYS B 11 28.172 -4.063 8.582 1.00 0.00 H new ATOM 0 HB3 LYS B 11 28.938 -5.639 8.573 1.00 0.00 H new ATOM 0 HG2 LYS B 11 27.888 -5.492 10.728 1.00 0.00 H new ATOM 0 HG3 LYS B 11 29.586 -5.194 11.044 1.00 0.00 H new ATOM 0 HD2 LYS B 11 29.263 -2.897 11.429 1.00 0.00 H new ATOM 0 HD3 LYS B 11 27.869 -2.804 10.371 1.00 0.00 H new ATOM 0 HE2 LYS B 11 27.426 -4.629 12.683 1.00 0.00 H new ATOM 0 HE3 LYS B 11 27.747 -2.977 13.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 25.388 -3.282 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 26.112 -2.200 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 25.801 -3.800 11.050 1.00 0.00 H new ATOM 802 N GLU B 12 31.968 -5.753 8.685 1.00 0.00 N ATOM 803 CA GLU B 12 33.064 -6.606 9.217 1.00 0.00 C ATOM 804 C GLU B 12 34.360 -5.802 9.282 1.00 0.00 C ATOM 805 O GLU B 12 35.254 -6.106 10.047 1.00 0.00 O ATOM 806 CB GLU B 12 33.193 -7.751 8.214 1.00 0.00 C ATOM 807 CG GLU B 12 32.293 -8.911 8.645 1.00 0.00 C ATOM 808 CD GLU B 12 32.492 -10.091 7.692 1.00 0.00 C ATOM 809 OE1 GLU B 12 33.606 -10.271 7.228 1.00 0.00 O ATOM 810 OE2 GLU B 12 31.527 -10.795 7.442 1.00 0.00 O ATOM 0 H GLU B 12 31.692 -5.952 7.723 1.00 0.00 H new ATOM 0 HA GLU B 12 32.860 -6.970 10.224 1.00 0.00 H new ATOM 0 HB2 GLU B 12 32.912 -7.409 7.218 1.00 0.00 H new ATOM 0 HB3 GLU B 12 34.230 -8.083 8.156 1.00 0.00 H new ATOM 0 HG2 GLU B 12 32.531 -9.210 9.666 1.00 0.00 H new ATOM 0 HG3 GLU B 12 31.249 -8.597 8.640 1.00 0.00 H new ATOM 817 N LEU B 13 34.467 -4.774 8.489 1.00 0.00 N ATOM 818 CA LEU B 13 35.703 -3.950 8.511 1.00 0.00 C ATOM 819 C LEU B 13 35.672 -3.006 9.714 1.00 0.00 C ATOM 820 O LEU B 13 36.663 -2.814 10.390 1.00 0.00 O ATOM 821 CB LEU B 13 35.681 -3.172 7.199 1.00 0.00 C ATOM 822 CG LEU B 13 36.531 -3.910 6.164 1.00 0.00 C ATOM 823 CD1 LEU B 13 36.145 -3.440 4.761 1.00 0.00 C ATOM 824 CD2 LEU B 13 38.013 -3.616 6.415 1.00 0.00 C ATOM 0 H LEU B 13 33.752 -4.470 7.828 1.00 0.00 H new ATOM 0 HA LEU B 13 36.609 -4.549 8.603 1.00 0.00 H new ATOM 0 HB2 LEU B 13 34.657 -3.069 6.840 1.00 0.00 H new ATOM 0 HB3 LEU B 13 36.067 -2.164 7.353 1.00 0.00 H new ATOM 0 HG LEU B 13 36.357 -4.983 6.248 1.00 0.00 H new ATOM 0 HD11 LEU B 13 36.750 -3.965 4.022 1.00 0.00 H new ATOM 0 HD12 LEU B 13 35.091 -3.652 4.584 1.00 0.00 H new ATOM 0 HD13 LEU B 13 36.319 -2.367 4.676 1.00 0.00 H new ATOM 0 HD21 LEU B 13 38.618 -4.142 5.677 1.00 0.00 H new ATOM 0 HD22 LEU B 13 38.190 -2.544 6.332 1.00 0.00 H new ATOM 0 HD23 LEU B 13 38.286 -3.952 7.415 1.00 0.00 H new ATOM 836 N TRP B 14 34.537 -2.425 9.996 1.00 0.00 N ATOM 837 CA TRP B 14 34.449 -1.506 11.170 1.00 0.00 C ATOM 838 C TRP B 14 34.733 -2.280 12.452 1.00 0.00 C ATOM 839 O TRP B 14 35.490 -1.851 13.300 1.00 0.00 O ATOM 840 CB TRP B 14 33.008 -1.004 11.181 1.00 0.00 C ATOM 841 CG TRP B 14 32.975 0.409 10.717 1.00 0.00 C ATOM 842 CD1 TRP B 14 33.300 1.497 11.460 1.00 0.00 C ATOM 843 CD2 TRP B 14 32.603 0.903 9.411 1.00 0.00 C ATOM 844 NE1 TRP B 14 33.145 2.628 10.685 1.00 0.00 N ATOM 845 CE2 TRP B 14 32.720 2.316 9.415 1.00 0.00 C ATOM 846 CE3 TRP B 14 32.175 0.266 8.224 1.00 0.00 C ATOM 847 CZ2 TRP B 14 32.421 3.070 8.280 1.00 0.00 C ATOM 848 CZ3 TRP B 14 31.876 1.020 7.075 1.00 0.00 C ATOM 849 CH2 TRP B 14 31.998 2.420 7.099 1.00 0.00 C ATOM 0 H TRP B 14 33.672 -2.545 9.469 1.00 0.00 H new ATOM 0 HA TRP B 14 35.168 -0.689 11.106 1.00 0.00 H new ATOM 0 HB2 TRP B 14 32.389 -1.626 10.534 1.00 0.00 H new ATOM 0 HB3 TRP B 14 32.593 -1.078 12.186 1.00 0.00 H new ATOM 0 HD1 TRP B 14 33.626 1.480 12.489 1.00 0.00 H new ATOM 0 HE1 TRP B 14 33.323 3.577 11.013 1.00 0.00 H new ATOM 0 HE3 TRP B 14 32.077 -0.809 8.199 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 32.512 4.146 8.304 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 31.552 0.522 6.173 1.00 0.00 H new ATOM 0 HH2 TRP B 14 31.769 2.998 6.216 1.00 0.00 H new ATOM 860 N LYS B 15 34.120 -3.419 12.598 1.00 0.00 N ATOM 861 CA LYS B 15 34.337 -4.232 13.821 1.00 0.00 C ATOM 862 C LYS B 15 35.281 -5.397 13.511 1.00 0.00 C ATOM 863 O LYS B 15 34.872 -6.536 13.410 1.00 0.00 O ATOM 864 CB LYS B 15 32.943 -4.726 14.192 1.00 0.00 C ATOM 865 CG LYS B 15 33.025 -5.602 15.443 1.00 0.00 C ATOM 866 CD LYS B 15 33.436 -4.741 16.639 1.00 0.00 C ATOM 867 CE LYS B 15 32.833 -5.322 17.919 1.00 0.00 C ATOM 868 NZ LYS B 15 33.325 -4.432 19.008 1.00 0.00 N ATOM 0 H LYS B 15 33.475 -3.823 11.919 1.00 0.00 H new ATOM 0 HA LYS B 15 34.799 -3.673 14.635 1.00 0.00 H new ATOM 0 HB2 LYS B 15 32.282 -3.878 14.372 1.00 0.00 H new ATOM 0 HB3 LYS B 15 32.516 -5.294 13.366 1.00 0.00 H new ATOM 0 HG2 LYS B 15 32.061 -6.074 15.634 1.00 0.00 H new ATOM 0 HG3 LYS B 15 33.748 -6.404 15.292 1.00 0.00 H new ATOM 0 HD2 LYS B 15 34.522 -4.707 16.719 1.00 0.00 H new ATOM 0 HD3 LYS B 15 33.095 -3.716 16.497 1.00 0.00 H new ATOM 0 HE2 LYS B 15 31.744 -5.329 17.876 1.00 0.00 H new ATOM 0 HE3 LYS B 15 33.153 -6.352 18.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 32.955 -4.764 19.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 34.365 -4.451 19.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 32.999 -3.459 18.835 1.00 0.00 H new ATOM 882 N GLY B 16 36.542 -5.106 13.351 1.00 0.00 N ATOM 883 CA GLY B 16 37.533 -6.173 13.037 1.00 0.00 C ATOM 884 C GLY B 16 38.875 -5.512 12.698 1.00 0.00 C ATOM 885 O GLY B 16 39.675 -5.252 13.575 1.00 0.00 O ATOM 0 H GLY B 16 36.932 -4.166 13.425 1.00 0.00 H new ATOM 0 HA2 GLY B 16 37.647 -6.845 13.887 1.00 0.00 H new ATOM 0 HA3 GLY B 16 37.186 -6.776 12.198 1.00 0.00 H new ATOM 889 N PRO B 17 39.070 -5.250 11.432 1.00 0.00 N ATOM 890 CA PRO B 17 40.319 -4.600 10.975 1.00 0.00 C ATOM 891 C PRO B 17 40.257 -3.098 11.279 1.00 0.00 C ATOM 892 O PRO B 17 39.500 -2.663 12.124 1.00 0.00 O ATOM 893 CB PRO B 17 40.328 -4.861 9.470 1.00 0.00 C ATOM 894 CG PRO B 17 38.891 -5.053 9.093 1.00 0.00 C ATOM 895 CD PRO B 17 38.155 -5.536 10.319 1.00 0.00 C ATOM 0 HA PRO B 17 41.217 -4.978 11.464 1.00 0.00 H new ATOM 0 HB2 PRO B 17 40.768 -4.024 8.928 1.00 0.00 H new ATOM 0 HB3 PRO B 17 40.920 -5.744 9.228 1.00 0.00 H new ATOM 0 HG2 PRO B 17 38.462 -4.118 8.733 1.00 0.00 H new ATOM 0 HG3 PRO B 17 38.802 -5.777 8.283 1.00 0.00 H new ATOM 0 HD2 PRO B 17 37.205 -5.016 10.442 1.00 0.00 H new ATOM 0 HD3 PRO B 17 37.930 -6.600 10.253 1.00 0.00 H new ATOM 903 N ARG B 18 41.039 -2.300 10.600 1.00 0.00 N ATOM 904 CA ARG B 18 41.011 -0.828 10.856 1.00 0.00 C ATOM 905 C ARG B 18 39.563 -0.312 10.847 1.00 0.00 C ATOM 906 O ARG B 18 38.636 -1.043 10.561 1.00 0.00 O ATOM 907 CB ARG B 18 41.842 -0.206 9.714 1.00 0.00 C ATOM 908 CG ARG B 18 41.005 -0.055 8.429 1.00 0.00 C ATOM 909 CD ARG B 18 40.632 -1.434 7.879 1.00 0.00 C ATOM 910 NE ARG B 18 41.934 -2.126 7.633 1.00 0.00 N ATOM 911 CZ ARG B 18 42.800 -1.621 6.793 1.00 0.00 C ATOM 912 NH1 ARG B 18 42.395 -0.857 5.816 1.00 0.00 N ATOM 913 NH2 ARG B 18 44.072 -1.879 6.934 1.00 0.00 N ATOM 0 H ARG B 18 41.695 -2.603 9.880 1.00 0.00 H new ATOM 0 HA ARG B 18 41.420 -0.566 11.832 1.00 0.00 H new ATOM 0 HB2 ARG B 18 42.216 0.770 10.024 1.00 0.00 H new ATOM 0 HB3 ARG B 18 42.712 -0.831 9.512 1.00 0.00 H new ATOM 0 HG2 ARG B 18 40.102 0.518 8.639 1.00 0.00 H new ATOM 0 HG3 ARG B 18 41.569 0.503 7.682 1.00 0.00 H new ATOM 0 HD2 ARG B 18 40.020 -1.989 8.590 1.00 0.00 H new ATOM 0 HD3 ARG B 18 40.053 -1.347 6.960 1.00 0.00 H new ATOM 0 HE ARG B 18 42.148 -2.995 8.122 1.00 0.00 H new ATOM 0 HH11 ARG B 18 41.402 -0.653 5.706 1.00 0.00 H new ATOM 0 HH12 ARG B 18 43.072 -0.464 5.162 1.00 0.00 H new ATOM 0 HH21 ARG B 18 44.390 -2.474 7.699 1.00 0.00 H new ATOM 0 HH22 ARG B 18 44.748 -1.485 6.279 1.00 0.00 H new ATOM 927 N ARG B 19 39.364 0.940 11.147 1.00 0.00 N ATOM 928 CA ARG B 19 37.978 1.486 11.144 1.00 0.00 C ATOM 929 C ARG B 19 37.950 2.891 10.531 1.00 0.00 C ATOM 930 O ARG B 19 37.031 3.248 9.824 1.00 0.00 O ATOM 931 CB ARG B 19 37.564 1.536 12.614 1.00 0.00 C ATOM 932 CG ARG B 19 36.045 1.688 12.708 1.00 0.00 C ATOM 933 CD ARG B 19 35.604 1.537 14.165 1.00 0.00 C ATOM 934 NE ARG B 19 35.635 2.919 14.719 1.00 0.00 N ATOM 935 CZ ARG B 19 35.370 3.122 15.980 1.00 0.00 C ATOM 936 NH1 ARG B 19 36.020 2.460 16.898 1.00 0.00 N ATOM 937 NH2 ARG B 19 34.454 3.986 16.324 1.00 0.00 N ATOM 0 H ARG B 19 40.096 1.606 11.393 1.00 0.00 H new ATOM 0 HA ARG B 19 37.302 0.872 10.549 1.00 0.00 H new ATOM 0 HB2 ARG B 19 37.882 0.627 13.124 1.00 0.00 H new ATOM 0 HB3 ARG B 19 38.056 2.370 13.114 1.00 0.00 H new ATOM 0 HG2 ARG B 19 35.742 2.663 12.325 1.00 0.00 H new ATOM 0 HG3 ARG B 19 35.555 0.936 12.089 1.00 0.00 H new ATOM 0 HD2 ARG B 19 34.605 1.106 14.233 1.00 0.00 H new ATOM 0 HD3 ARG B 19 36.274 0.876 14.714 1.00 0.00 H new ATOM 0 HE ARG B 19 35.863 3.707 14.113 1.00 0.00 H new ATOM 0 HH11 ARG B 19 36.735 1.784 16.629 1.00 0.00 H new ATOM 0 HH12 ARG B 19 35.813 2.619 17.884 1.00 0.00 H new ATOM 0 HH21 ARG B 19 33.945 4.503 15.607 1.00 0.00 H new ATOM 0 HH22 ARG B 19 34.247 4.144 17.310 1.00 0.00 H new ATOM 951 N GLY B 20 38.943 3.693 10.802 1.00 0.00 N ATOM 952 CA GLY B 20 38.962 5.074 10.239 1.00 0.00 C ATOM 953 C GLY B 20 39.079 5.016 8.713 1.00 0.00 C ATOM 954 O GLY B 20 38.482 5.804 8.007 1.00 0.00 O ATOM 0 H GLY B 20 39.742 3.452 11.389 1.00 0.00 H new ATOM 0 HA2 GLY B 20 38.052 5.604 10.522 1.00 0.00 H new ATOM 0 HA3 GLY B 20 39.800 5.634 10.655 1.00 0.00 H new ATOM 958 N GLU B 21 39.847 4.094 8.199 1.00 0.00 N ATOM 959 CA GLU B 21 40.003 3.996 6.718 1.00 0.00 C ATOM 960 C GLU B 21 38.705 3.497 6.074 1.00 0.00 C ATOM 961 O GLU B 21 38.397 3.821 4.945 1.00 0.00 O ATOM 962 CB GLU B 21 41.131 2.988 6.506 1.00 0.00 C ATOM 963 CG GLU B 21 42.446 3.738 6.281 1.00 0.00 C ATOM 964 CD GLU B 21 43.240 3.054 5.166 1.00 0.00 C ATOM 965 OE1 GLU B 21 43.665 1.930 5.372 1.00 0.00 O ATOM 966 OE2 GLU B 21 43.411 3.668 4.125 1.00 0.00 O ATOM 0 H GLU B 21 40.372 3.406 8.738 1.00 0.00 H new ATOM 0 HA GLU B 21 40.227 4.961 6.263 1.00 0.00 H new ATOM 0 HB2 GLU B 21 41.217 2.333 7.373 1.00 0.00 H new ATOM 0 HB3 GLU B 21 40.910 2.353 5.648 1.00 0.00 H new ATOM 0 HG2 GLU B 21 42.244 4.775 6.014 1.00 0.00 H new ATOM 0 HG3 GLU B 21 43.030 3.753 7.201 1.00 0.00 H new ATOM 973 N ILE B 22 37.941 2.713 6.784 1.00 0.00 N ATOM 974 CA ILE B 22 36.663 2.199 6.209 1.00 0.00 C ATOM 975 C ILE B 22 35.635 3.327 6.142 1.00 0.00 C ATOM 976 O ILE B 22 35.062 3.602 5.105 1.00 0.00 O ATOM 977 CB ILE B 22 36.210 1.107 7.175 1.00 0.00 C ATOM 978 CG1 ILE B 22 37.313 0.051 7.306 1.00 0.00 C ATOM 979 CG2 ILE B 22 34.928 0.460 6.646 1.00 0.00 C ATOM 980 CD1 ILE B 22 37.525 -0.657 5.963 1.00 0.00 C ATOM 0 H ILE B 22 38.145 2.406 7.735 1.00 0.00 H new ATOM 0 HA ILE B 22 36.781 1.817 5.195 1.00 0.00 H new ATOM 0 HB ILE B 22 36.014 1.542 8.155 1.00 0.00 H new ATOM 0 HG12 ILE B 22 38.242 0.522 7.629 1.00 0.00 H new ATOM 0 HG13 ILE B 22 37.042 -0.677 8.071 1.00 0.00 H new ATOM 0 HG21 ILE B 22 34.603 -0.320 7.335 1.00 0.00 H new ATOM 0 HG22 ILE B 22 34.148 1.216 6.560 1.00 0.00 H new ATOM 0 HG23 ILE B 22 35.119 0.022 5.666 1.00 0.00 H new ATOM 0 HD11 ILE B 22 38.311 -1.405 6.066 1.00 0.00 H new ATOM 0 HD12 ILE B 22 36.598 -1.143 5.658 1.00 0.00 H new ATOM 0 HD13 ILE B 22 37.817 0.074 5.209 1.00 0.00 H new ATOM 992 N GLU B 23 35.404 3.995 7.234 1.00 0.00 N ATOM 993 CA GLU B 23 34.433 5.113 7.215 1.00 0.00 C ATOM 994 C GLU B 23 34.927 6.173 6.233 1.00 0.00 C ATOM 995 O GLU B 23 34.152 6.913 5.654 1.00 0.00 O ATOM 996 CB GLU B 23 34.394 5.606 8.665 1.00 0.00 C ATOM 997 CG GLU B 23 33.410 6.759 8.802 1.00 0.00 C ATOM 998 CD GLU B 23 34.167 8.043 9.148 1.00 0.00 C ATOM 999 OE1 GLU B 23 34.618 8.708 8.230 1.00 0.00 O ATOM 1000 OE2 GLU B 23 34.284 8.340 10.326 1.00 0.00 O ATOM 0 H GLU B 23 35.845 3.814 8.136 1.00 0.00 H new ATOM 0 HA GLU B 23 33.432 4.839 6.883 1.00 0.00 H new ATOM 0 HB2 GLU B 23 34.103 4.790 9.327 1.00 0.00 H new ATOM 0 HB3 GLU B 23 35.388 5.928 8.974 1.00 0.00 H new ATOM 0 HG2 GLU B 23 32.857 6.891 7.872 1.00 0.00 H new ATOM 0 HG3 GLU B 23 32.679 6.536 9.579 1.00 0.00 H new ATOM 1007 N GLU B 24 36.210 6.214 5.993 1.00 0.00 N ATOM 1008 CA GLU B 24 36.737 7.181 4.998 1.00 0.00 C ATOM 1009 C GLU B 24 36.284 6.708 3.618 1.00 0.00 C ATOM 1010 O GLU B 24 35.926 7.488 2.758 1.00 0.00 O ATOM 1011 CB GLU B 24 38.258 7.114 5.131 1.00 0.00 C ATOM 1012 CG GLU B 24 38.899 8.098 4.151 1.00 0.00 C ATOM 1013 CD GLU B 24 40.419 8.063 4.314 1.00 0.00 C ATOM 1014 OE1 GLU B 24 41.048 7.261 3.643 1.00 0.00 O ATOM 1015 OE2 GLU B 24 40.929 8.837 5.107 1.00 0.00 O ATOM 0 H GLU B 24 36.909 5.622 6.442 1.00 0.00 H new ATOM 0 HA GLU B 24 36.388 8.203 5.146 1.00 0.00 H new ATOM 0 HB2 GLU B 24 38.556 7.355 6.152 1.00 0.00 H new ATOM 0 HB3 GLU B 24 38.607 6.102 4.927 1.00 0.00 H new ATOM 0 HG2 GLU B 24 38.626 7.839 3.128 1.00 0.00 H new ATOM 0 HG3 GLU B 24 38.526 9.106 4.335 1.00 0.00 H new ATOM 1022 N LEU B 25 36.274 5.416 3.423 1.00 0.00 N ATOM 1023 CA LEU B 25 35.816 4.851 2.123 1.00 0.00 C ATOM 1024 C LEU B 25 34.352 5.224 1.905 1.00 0.00 C ATOM 1025 O LEU B 25 33.889 5.327 0.790 1.00 0.00 O ATOM 1026 CB LEU B 25 35.955 3.333 2.262 1.00 0.00 C ATOM 1027 CG LEU B 25 35.574 2.663 0.939 1.00 0.00 C ATOM 1028 CD1 LEU B 25 36.795 2.601 0.021 1.00 0.00 C ATOM 1029 CD2 LEU B 25 35.071 1.244 1.213 1.00 0.00 C ATOM 0 H LEU B 25 36.566 4.725 4.114 1.00 0.00 H new ATOM 0 HA LEU B 25 36.393 5.229 1.279 1.00 0.00 H new ATOM 0 HB2 LEU B 25 36.979 3.074 2.532 1.00 0.00 H new ATOM 0 HB3 LEU B 25 35.312 2.970 3.064 1.00 0.00 H new ATOM 0 HG LEU B 25 34.788 3.243 0.455 1.00 0.00 H new ATOM 0 HD11 LEU B 25 36.519 2.123 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU B 25 37.153 3.611 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU B 25 37.584 2.024 0.503 1.00 0.00 H new ATOM 0 HD21 LEU B 25 34.799 0.766 0.272 1.00 0.00 H new ATOM 0 HD22 LEU B 25 35.857 0.667 1.699 1.00 0.00 H new ATOM 0 HD23 LEU B 25 34.197 1.287 1.863 1.00 0.00 H new ATOM 1041 N HIS B 26 33.620 5.427 2.969 1.00 0.00 N ATOM 1042 CA HIS B 26 32.184 5.801 2.825 1.00 0.00 C ATOM 1043 C HIS B 26 32.072 7.265 2.385 1.00 0.00 C ATOM 1044 O HIS B 26 31.241 7.615 1.571 1.00 0.00 O ATOM 1045 CB HIS B 26 31.567 5.593 4.207 1.00 0.00 C ATOM 1046 CG HIS B 26 30.149 6.096 4.197 1.00 0.00 C ATOM 1047 ND1 HIS B 26 29.133 5.444 3.517 1.00 0.00 N ATOM 1048 CD2 HIS B 26 29.572 7.197 4.768 1.00 0.00 C ATOM 1049 CE1 HIS B 26 28.003 6.156 3.700 1.00 0.00 C ATOM 1050 NE2 HIS B 26 28.218 7.236 4.454 1.00 0.00 N ATOM 0 H HIS B 26 33.955 5.350 3.929 1.00 0.00 H new ATOM 0 HA HIS B 26 31.671 5.202 2.072 1.00 0.00 H new ATOM 0 HB2 HIS B 26 31.589 4.536 4.473 1.00 0.00 H new ATOM 0 HB3 HIS B 26 32.148 6.123 4.961 1.00 0.00 H new ATOM 0 HD2 HIS B 26 30.090 7.927 5.372 1.00 0.00 H new ATOM 0 HE1 HIS B 26 27.042 5.886 3.287 1.00 0.00 H new ATOM 0 HE2 HIS B 26 27.536 7.939 4.739 1.00 0.00 H new ATOM 1058 N LYS B 27 32.904 8.125 2.905 1.00 0.00 N ATOM 1059 CA LYS B 27 32.831 9.552 2.481 1.00 0.00 C ATOM 1060 C LYS B 27 33.062 9.626 0.970 1.00 0.00 C ATOM 1061 O LYS B 27 32.311 10.248 0.240 1.00 0.00 O ATOM 1062 CB LYS B 27 33.954 10.260 3.241 1.00 0.00 C ATOM 1063 CG LYS B 27 33.375 11.448 4.013 1.00 0.00 C ATOM 1064 CD LYS B 27 33.205 11.067 5.485 1.00 0.00 C ATOM 1065 CE LYS B 27 34.322 11.710 6.310 1.00 0.00 C ATOM 1066 NZ LYS B 27 33.648 12.783 7.093 1.00 0.00 N ATOM 0 H LYS B 27 33.622 7.906 3.596 1.00 0.00 H new ATOM 0 HA LYS B 27 31.866 10.013 2.694 1.00 0.00 H new ATOM 0 HB2 LYS B 27 34.437 9.566 3.929 1.00 0.00 H new ATOM 0 HB3 LYS B 27 34.719 10.603 2.545 1.00 0.00 H new ATOM 0 HG2 LYS B 27 34.036 12.310 3.924 1.00 0.00 H new ATOM 0 HG3 LYS B 27 32.414 11.738 3.588 1.00 0.00 H new ATOM 0 HD2 LYS B 27 32.233 11.400 5.848 1.00 0.00 H new ATOM 0 HD3 LYS B 27 33.233 9.983 5.597 1.00 0.00 H new ATOM 0 HE2 LYS B 27 34.799 10.982 6.966 1.00 0.00 H new ATOM 0 HE3 LYS B 27 35.102 12.119 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 34.349 13.272 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 33.209 13.465 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 32.915 12.362 7.699 1.00 0.00 H new ATOM 1080 N LYS B 28 34.085 8.971 0.492 1.00 0.00 N ATOM 1081 CA LYS B 28 34.350 8.979 -0.972 1.00 0.00 C ATOM 1082 C LYS B 28 33.164 8.341 -1.695 1.00 0.00 C ATOM 1083 O LYS B 28 32.711 8.826 -2.709 1.00 0.00 O ATOM 1084 CB LYS B 28 35.612 8.135 -1.153 1.00 0.00 C ATOM 1085 CG LYS B 28 36.823 9.056 -1.316 1.00 0.00 C ATOM 1086 CD LYS B 28 37.363 9.441 0.063 1.00 0.00 C ATOM 1087 CE LYS B 28 38.725 10.118 -0.095 1.00 0.00 C ATOM 1088 NZ LYS B 28 39.673 9.248 0.655 1.00 0.00 N ATOM 0 H LYS B 28 34.746 8.432 1.052 1.00 0.00 H new ATOM 0 HA LYS B 28 34.482 9.983 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS B 28 35.752 7.482 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS B 28 35.510 7.492 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS B 28 37.599 8.555 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS B 28 36.540 9.951 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS B 28 36.666 10.113 0.564 1.00 0.00 H new ATOM 0 HD3 LYS B 28 37.456 8.554 0.690 1.00 0.00 H new ATOM 0 HE2 LYS B 28 39.007 10.198 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS B 28 38.713 11.130 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 40.639 9.618 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 39.412 9.237 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 39.630 8.280 0.276 1.00 0.00 H new ATOM 1102 N PHE B 29 32.647 7.265 -1.157 1.00 0.00 N ATOM 1103 CA PHE B 29 31.471 6.586 -1.782 1.00 0.00 C ATOM 1104 C PHE B 29 30.378 7.617 -2.063 1.00 0.00 C ATOM 1105 O PHE B 29 29.706 7.570 -3.074 1.00 0.00 O ATOM 1106 CB PHE B 29 31.005 5.573 -0.730 1.00 0.00 C ATOM 1107 CG PHE B 29 31.683 4.229 -0.926 1.00 0.00 C ATOM 1108 CD1 PHE B 29 32.859 4.110 -1.710 1.00 0.00 C ATOM 1109 CD2 PHE B 29 31.132 3.083 -0.312 1.00 0.00 C ATOM 1110 CE1 PHE B 29 33.474 2.850 -1.875 1.00 0.00 C ATOM 1111 CE2 PHE B 29 31.748 1.825 -0.478 1.00 0.00 C ATOM 1112 CZ PHE B 29 32.919 1.707 -1.259 1.00 0.00 C ATOM 0 H PHE B 29 32.992 6.824 -0.304 1.00 0.00 H new ATOM 0 HA PHE B 29 31.710 6.104 -2.730 1.00 0.00 H new ATOM 0 HB2 PHE B 29 31.226 5.953 0.268 1.00 0.00 H new ATOM 0 HB3 PHE B 29 29.924 5.451 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE B 29 33.284 4.984 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE B 29 30.237 3.170 0.286 1.00 0.00 H new ATOM 0 HE1 PHE B 29 34.369 2.760 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE B 29 31.324 0.951 -0.007 1.00 0.00 H new ATOM 0 HZ PHE B 29 33.390 0.743 -1.385 1.00 0.00 H new ATOM 1122 N HIS B 30 30.214 8.563 -1.179 1.00 0.00 N ATOM 1123 CA HIS B 30 29.187 9.616 -1.399 1.00 0.00 C ATOM 1124 C HIS B 30 29.606 10.460 -2.599 1.00 0.00 C ATOM 1125 O HIS B 30 28.814 10.758 -3.470 1.00 0.00 O ATOM 1126 CB HIS B 30 29.185 10.442 -0.112 1.00 0.00 C ATOM 1127 CG HIS B 30 28.096 11.477 -0.177 1.00 0.00 C ATOM 1128 ND1 HIS B 30 27.921 12.428 0.816 1.00 0.00 N ATOM 1129 CD2 HIS B 30 27.118 11.722 -1.108 1.00 0.00 C ATOM 1130 CE1 HIS B 30 26.872 13.194 0.463 1.00 0.00 C ATOM 1131 NE2 HIS B 30 26.346 12.807 -0.702 1.00 0.00 N ATOM 0 H HIS B 30 30.748 8.651 -0.314 1.00 0.00 H new ATOM 0 HA HIS B 30 28.194 9.219 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS B 30 29.031 9.792 0.749 1.00 0.00 H new ATOM 0 HB3 HIS B 30 30.152 10.926 0.023 1.00 0.00 H new ATOM 0 HD1 HIS B 30 28.484 12.529 1.660 1.00 0.00 H new ATOM 0 HD2 HIS B 30 26.970 11.159 -2.017 1.00 0.00 H new ATOM 0 HE1 HIS B 30 26.501 14.021 1.050 1.00 0.00 H new ATOM 1139 N GLU B 31 30.861 10.814 -2.670 1.00 0.00 N ATOM 1140 CA GLU B 31 31.343 11.600 -3.840 1.00 0.00 C ATOM 1141 C GLU B 31 31.660 10.644 -5.002 1.00 0.00 C ATOM 1142 O GLU B 31 32.146 11.049 -6.039 1.00 0.00 O ATOM 1143 CB GLU B 31 32.611 12.304 -3.357 1.00 0.00 C ATOM 1144 CG GLU B 31 32.826 13.577 -4.177 1.00 0.00 C ATOM 1145 CD GLU B 31 34.209 14.155 -3.870 1.00 0.00 C ATOM 1146 OE1 GLU B 31 35.150 13.784 -4.552 1.00 0.00 O ATOM 1147 OE2 GLU B 31 34.303 14.961 -2.958 1.00 0.00 O ATOM 0 H GLU B 31 31.570 10.594 -1.971 1.00 0.00 H new ATOM 0 HA GLU B 31 30.603 12.316 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU B 31 32.524 12.550 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU B 31 33.470 11.642 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU B 31 32.741 13.356 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU B 31 32.054 14.309 -3.941 1.00 0.00 H new ATOM 1154 N LEU B 32 31.381 9.374 -4.830 1.00 0.00 N ATOM 1155 CA LEU B 32 31.650 8.377 -5.902 1.00 0.00 C ATOM 1156 C LEU B 32 30.392 8.185 -6.745 1.00 0.00 C ATOM 1157 O LEU B 32 30.455 7.943 -7.934 1.00 0.00 O ATOM 1158 CB LEU B 32 31.966 7.085 -5.140 1.00 0.00 C ATOM 1159 CG LEU B 32 32.812 6.135 -5.993 1.00 0.00 C ATOM 1160 CD1 LEU B 32 33.194 4.922 -5.143 1.00 0.00 C ATOM 1161 CD2 LEU B 32 32.012 5.657 -7.205 1.00 0.00 C ATOM 0 H LEU B 32 30.973 8.986 -3.980 1.00 0.00 H new ATOM 0 HA LEU B 32 32.455 8.678 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU B 32 32.498 7.323 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU B 32 31.037 6.592 -4.853 1.00 0.00 H new ATOM 0 HG LEU B 32 33.703 6.659 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU B 32 33.797 4.236 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU B 32 33.767 5.251 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 32 32.290 4.413 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU B 32 32.625 4.983 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU B 32 31.119 5.132 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU B 32 31.721 6.515 -7.810 1.00 0.00 H new ATOM 1173 N ILE B 33 29.244 8.265 -6.128 1.00 0.00 N ATOM 1174 CA ILE B 33 27.981 8.051 -6.891 1.00 0.00 C ATOM 1175 C ILE B 33 27.076 9.289 -6.820 1.00 0.00 C ATOM 1176 O ILE B 33 26.058 9.361 -7.480 1.00 0.00 O ATOM 1177 CB ILE B 33 27.323 6.841 -6.216 1.00 0.00 C ATOM 1178 CG1 ILE B 33 26.868 7.222 -4.803 1.00 0.00 C ATOM 1179 CG2 ILE B 33 28.334 5.687 -6.142 1.00 0.00 C ATOM 1180 CD1 ILE B 33 26.149 6.041 -4.156 1.00 0.00 C ATOM 0 H ILE B 33 29.126 8.468 -5.135 1.00 0.00 H new ATOM 0 HA ILE B 33 28.163 7.880 -7.952 1.00 0.00 H new ATOM 0 HB ILE B 33 26.456 6.527 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE B 33 27.728 7.511 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE B 33 26.204 8.085 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE B 33 27.869 4.826 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE B 33 28.650 5.415 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE B 33 29.202 6.000 -5.562 1.00 0.00 H new ATOM 0 HD11 ILE B 33 25.827 6.317 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE B 33 25.279 5.773 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE B 33 26.827 5.189 -4.099 1.00 0.00 H new ATOM 1192 N LYS B 34 27.436 10.264 -6.029 1.00 0.00 N ATOM 1193 CA LYS B 34 26.591 11.489 -5.927 1.00 0.00 C ATOM 1194 C LYS B 34 27.340 12.694 -6.501 1.00 0.00 C ATOM 1195 O LYS B 34 28.547 12.677 -6.643 1.00 0.00 O ATOM 1196 CB LYS B 34 26.342 11.675 -4.430 1.00 0.00 C ATOM 1197 CG LYS B 34 24.978 12.335 -4.219 1.00 0.00 C ATOM 1198 CD LYS B 34 23.966 11.280 -3.769 1.00 0.00 C ATOM 1199 CE LYS B 34 24.334 10.785 -2.369 1.00 0.00 C ATOM 1200 NZ LYS B 34 23.061 10.256 -1.803 1.00 0.00 N ATOM 0 H LYS B 34 28.276 10.266 -5.451 1.00 0.00 H new ATOM 0 HA LYS B 34 25.660 11.397 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS B 34 26.374 10.711 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS B 34 27.128 12.291 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS B 34 25.055 13.123 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS B 34 24.643 12.805 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS B 34 22.961 11.703 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS B 34 23.958 10.446 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS B 34 25.099 10.010 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS B 34 24.733 11.593 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 23.231 9.897 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 22.354 11.018 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 22.709 9.484 -2.404 1.00 0.00 H new ATOM 1214 N GLY B 35 26.635 13.740 -6.835 1.00 0.00 N ATOM 1215 CA GLY B 35 27.308 14.943 -7.400 1.00 0.00 C ATOM 1216 C GLY B 35 26.390 16.158 -7.254 1.00 0.00 C ATOM 1217 O GLY B 35 25.192 15.960 -7.140 1.00 0.00 O ATOM 1218 OXT GLY B 35 26.902 17.265 -7.258 1.00 0.00 O ATOM 0 H GLY B 35 25.622 13.813 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY B 35 28.251 15.122 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY B 35 27.547 14.779 -8.451 1.00 0.00 H new TER 1222 GLY B 35