USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.266 (180deg=-1.19!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.437 -0.902 -5.095 1.00 45.32 N ATOM 2 CA GLY A 1 -26.861 0.269 -4.348 1.00 15.22 C ATOM 3 C GLY A 1 -25.840 0.628 -3.265 1.00 45.54 C ATOM 4 O GLY A 1 -25.007 1.510 -3.461 1.00 11.02 O ATOM 0 H1 GLY A 1 -27.146 -1.125 -5.823 1.00 45.32 H new ATOM 0 H2 GLY A 1 -25.522 -0.711 -5.550 1.00 45.32 H new ATOM 0 H3 GLY A 1 -26.340 -1.710 -4.448 1.00 45.32 H new ATOM 0 HA2 GLY A 1 -26.988 1.112 -5.027 1.00 15.22 H new ATOM 0 HA3 GLY A 1 -27.832 0.081 -3.890 1.00 15.22 H new ATOM 8 N ILE A 2 -25.941 -0.077 -2.147 1.00 72.43 N ATOM 9 CA ILE A 2 -25.037 0.155 -1.033 1.00 33.43 C ATOM 10 C ILE A 2 -23.755 -0.653 -1.245 1.00 33.03 C ATOM 11 O ILE A 2 -22.698 -0.294 -0.727 1.00 60.11 O ATOM 12 CB ILE A 2 -25.737 -0.139 0.295 1.00 32.02 C ATOM 13 CG1 ILE A 2 -25.428 0.945 1.330 1.00 15.11 C ATOM 14 CG2 ILE A 2 -25.380 -1.536 0.805 1.00 43.30 C ATOM 15 CD1 ILE A 2 -25.833 0.495 2.734 1.00 54.54 C ATOM 0 H ILE A 2 -26.634 -0.808 -1.989 1.00 72.43 H new ATOM 0 HA ILE A 2 -24.748 1.205 -0.989 1.00 33.43 H new ATOM 0 HB ILE A 2 -26.813 -0.124 0.124 1.00 32.02 H new ATOM 0 HG12 ILE A 2 -24.363 1.177 1.312 1.00 15.11 H new ATOM 0 HG13 ILE A 2 -25.958 1.861 1.071 1.00 15.11 H new ATOM 0 HG21 ILE A 2 -25.891 -1.720 1.750 1.00 43.30 H new ATOM 0 HG22 ILE A 2 -25.692 -2.281 0.073 1.00 43.30 H new ATOM 0 HG23 ILE A 2 -24.303 -1.604 0.955 1.00 43.30 H new ATOM 0 HD11 ILE A 2 -25.602 1.284 3.450 1.00 54.54 H new ATOM 0 HD12 ILE A 2 -26.903 0.287 2.755 1.00 54.54 H new ATOM 0 HD13 ILE A 2 -25.283 -0.408 3.000 1.00 54.54 H new ATOM 27 N GLY A 3 -23.890 -1.728 -2.007 1.00 4.12 N ATOM 28 CA GLY A 3 -22.756 -2.589 -2.294 1.00 41.33 C ATOM 29 C GLY A 3 -21.658 -1.822 -3.032 1.00 51.44 C ATOM 30 O GLY A 3 -20.473 -2.103 -2.856 1.00 1.31 O ATOM 0 H GLY A 3 -24.768 -2.022 -2.435 1.00 4.12 H new ATOM 0 HA2 GLY A 3 -22.359 -2.995 -1.364 1.00 41.33 H new ATOM 0 HA3 GLY A 3 -23.082 -3.436 -2.898 1.00 41.33 H new ATOM 34 N ALA A 4 -22.089 -0.868 -3.844 1.00 43.41 N ATOM 35 CA ALA A 4 -21.157 -0.058 -4.609 1.00 23.20 C ATOM 36 C ALA A 4 -20.367 0.841 -3.656 1.00 44.14 C ATOM 37 O ALA A 4 -19.216 1.178 -3.929 1.00 74.03 O ATOM 38 CB ALA A 4 -21.924 0.742 -5.664 1.00 71.44 C ATOM 0 H ALA A 4 -23.072 -0.638 -3.989 1.00 43.41 H new ATOM 0 HA ALA A 4 -20.441 -0.690 -5.135 1.00 23.20 H new ATOM 0 HB1 ALA A 4 -21.225 1.350 -6.239 1.00 71.44 H new ATOM 0 HB2 ALA A 4 -22.444 0.057 -6.333 1.00 71.44 H new ATOM 0 HB3 ALA A 4 -22.650 1.390 -5.173 1.00 71.44 H new ATOM 44 N LEU A 5 -21.016 1.201 -2.559 1.00 61.01 N ATOM 45 CA LEU A 5 -20.388 2.054 -1.565 1.00 51.34 C ATOM 46 C LEU A 5 -19.302 1.262 -0.833 1.00 12.11 C ATOM 47 O LEU A 5 -18.262 1.812 -0.476 1.00 73.22 O ATOM 48 CB LEU A 5 -21.441 2.658 -0.635 1.00 51.12 C ATOM 49 CG LEU A 5 -21.273 4.143 -0.306 1.00 63.53 C ATOM 50 CD1 LEU A 5 -21.850 5.019 -1.420 1.00 25.14 C ATOM 51 CD2 LEU A 5 -21.882 4.476 1.057 1.00 54.41 C ATOM 0 H LEU A 5 -21.970 0.918 -2.337 1.00 61.01 H new ATOM 0 HA LEU A 5 -19.897 2.901 -2.045 1.00 51.34 H new ATOM 0 HB2 LEU A 5 -22.422 2.515 -1.088 1.00 51.12 H new ATOM 0 HB3 LEU A 5 -21.437 2.097 0.299 1.00 51.12 H new ATOM 0 HG LEU A 5 -20.207 4.360 -0.243 1.00 63.53 H new ATOM 0 HD11 LEU A 5 -21.718 6.070 -1.162 1.00 25.14 H new ATOM 0 HD12 LEU A 5 -21.331 4.807 -2.355 1.00 25.14 H new ATOM 0 HD13 LEU A 5 -22.912 4.805 -1.538 1.00 25.14 H new ATOM 0 HD21 LEU A 5 -21.749 5.537 1.266 1.00 54.41 H new ATOM 0 HD22 LEU A 5 -22.946 4.239 1.048 1.00 54.41 H new ATOM 0 HD23 LEU A 5 -21.386 3.889 1.830 1.00 54.41 H new ATOM 63 N PHE A 6 -19.583 -0.017 -0.630 1.00 31.10 N ATOM 64 CA PHE A 6 -18.643 -0.891 0.053 1.00 23.33 C ATOM 65 C PHE A 6 -17.446 -1.216 -0.842 1.00 22.23 C ATOM 66 O PHE A 6 -16.304 -1.197 -0.388 1.00 50.21 O ATOM 67 CB PHE A 6 -19.391 -2.186 0.376 1.00 32.04 C ATOM 68 CG PHE A 6 -18.539 -3.232 1.096 1.00 15.23 C ATOM 69 CD1 PHE A 6 -18.559 -3.308 2.455 1.00 21.42 C ATOM 70 CD2 PHE A 6 -17.761 -4.088 0.380 1.00 21.44 C ATOM 71 CE1 PHE A 6 -17.769 -4.279 3.124 1.00 34.30 C ATOM 72 CE2 PHE A 6 -16.971 -5.059 1.049 1.00 34.32 C ATOM 73 CZ PHE A 6 -16.991 -5.134 2.407 1.00 2.11 C ATOM 0 H PHE A 6 -20.448 -0.469 -0.926 1.00 31.10 H new ATOM 0 HA PHE A 6 -18.267 -0.403 0.952 1.00 23.33 H new ATOM 0 HB2 PHE A 6 -20.257 -1.949 0.994 1.00 32.04 H new ATOM 0 HB3 PHE A 6 -19.770 -2.616 -0.551 1.00 32.04 H new ATOM 0 HD1 PHE A 6 -19.176 -2.629 3.024 1.00 21.42 H new ATOM 0 HD2 PHE A 6 -17.744 -4.029 -0.698 1.00 21.44 H new ATOM 0 HE1 PHE A 6 -17.786 -4.339 4.202 1.00 34.30 H new ATOM 0 HE2 PHE A 6 -16.354 -5.738 0.480 1.00 34.32 H new ATOM 0 HZ PHE A 6 -16.389 -5.872 2.916 1.00 2.11 H new ATOM 83 N LEU A 7 -17.750 -1.507 -2.099 1.00 30.42 N ATOM 84 CA LEU A 7 -16.712 -1.836 -3.062 1.00 23.42 C ATOM 85 C LEU A 7 -15.767 -0.643 -3.215 1.00 25.33 C ATOM 86 O LEU A 7 -14.550 -0.810 -3.240 1.00 60.21 O ATOM 87 CB LEU A 7 -17.334 -2.302 -4.381 1.00 11.54 C ATOM 88 CG LEU A 7 -17.253 -3.803 -4.666 1.00 24.43 C ATOM 89 CD1 LEU A 7 -15.798 -4.269 -4.738 1.00 3.12 C ATOM 90 CD2 LEU A 7 -18.062 -4.600 -3.642 1.00 1.43 C ATOM 0 H LEU A 7 -18.699 -1.522 -2.472 1.00 30.42 H new ATOM 0 HA LEU A 7 -16.112 -2.673 -2.705 1.00 23.42 H new ATOM 0 HB2 LEU A 7 -18.383 -2.007 -4.390 1.00 11.54 H new ATOM 0 HB3 LEU A 7 -16.846 -1.770 -5.198 1.00 11.54 H new ATOM 0 HG LEU A 7 -17.699 -3.990 -5.643 1.00 24.43 H new ATOM 0 HD11 LEU A 7 -15.768 -5.339 -4.942 1.00 3.12 H new ATOM 0 HD12 LEU A 7 -15.284 -3.734 -5.536 1.00 3.12 H new ATOM 0 HD13 LEU A 7 -15.304 -4.067 -3.788 1.00 3.12 H new ATOM 0 HD21 LEU A 7 -17.987 -5.664 -3.868 1.00 1.43 H new ATOM 0 HD22 LEU A 7 -17.669 -4.413 -2.643 1.00 1.43 H new ATOM 0 HD23 LEU A 7 -19.107 -4.292 -3.685 1.00 1.43 H new ATOM 102 N GLY A 8 -16.365 0.536 -3.315 1.00 0.44 N ATOM 103 CA GLY A 8 -15.592 1.756 -3.465 1.00 34.15 C ATOM 104 C GLY A 8 -14.774 2.046 -2.205 1.00 32.23 C ATOM 105 O GLY A 8 -13.844 2.851 -2.235 1.00 22.42 O ATOM 0 H GLY A 8 -17.376 0.671 -3.295 1.00 0.44 H new ATOM 0 HA2 GLY A 8 -14.925 1.665 -4.323 1.00 34.15 H new ATOM 0 HA3 GLY A 8 -16.261 2.592 -3.669 1.00 34.15 H new ATOM 109 N PHE A 9 -15.150 1.374 -1.127 1.00 34.23 N ATOM 110 CA PHE A 9 -14.462 1.550 0.141 1.00 1.43 C ATOM 111 C PHE A 9 -13.122 0.813 0.145 1.00 51.34 C ATOM 112 O PHE A 9 -12.134 1.316 0.678 1.00 24.22 O ATOM 113 CB PHE A 9 -15.363 0.951 1.224 1.00 54.23 C ATOM 114 CG PHE A 9 -15.511 1.831 2.468 1.00 61.45 C ATOM 115 CD1 PHE A 9 -16.477 2.787 2.512 1.00 4.41 C ATOM 116 CD2 PHE A 9 -14.676 1.658 3.527 1.00 61.50 C ATOM 117 CE1 PHE A 9 -16.616 3.603 3.665 1.00 72.22 C ATOM 118 CE2 PHE A 9 -14.814 2.475 4.680 1.00 55.03 C ATOM 119 CZ PHE A 9 -15.780 3.430 4.725 1.00 32.33 C ATOM 0 H PHE A 9 -15.922 0.707 -1.105 1.00 34.23 H new ATOM 0 HA PHE A 9 -14.264 2.608 0.314 1.00 1.43 H new ATOM 0 HB2 PHE A 9 -16.351 0.769 0.801 1.00 54.23 H new ATOM 0 HB3 PHE A 9 -14.961 -0.017 1.522 1.00 54.23 H new ATOM 0 HD1 PHE A 9 -17.138 2.925 1.670 1.00 4.41 H new ATOM 0 HD2 PHE A 9 -13.908 0.899 3.491 1.00 61.50 H new ATOM 0 HE1 PHE A 9 -17.385 4.361 3.701 1.00 72.22 H new ATOM 0 HE2 PHE A 9 -14.151 2.338 5.522 1.00 55.03 H new ATOM 0 HZ PHE A 9 -15.884 4.052 5.602 1.00 32.33 H new ATOM 129 N LEU A 10 -13.130 -0.369 -0.456 1.00 31.25 N ATOM 130 CA LEU A 10 -11.927 -1.180 -0.530 1.00 35.05 C ATOM 131 C LEU A 10 -10.849 -0.417 -1.303 1.00 12.45 C ATOM 132 O LEU A 10 -9.658 -0.605 -1.062 1.00 71.34 O ATOM 133 CB LEU A 10 -12.244 -2.557 -1.114 1.00 10.13 C ATOM 134 CG LEU A 10 -13.540 -3.210 -0.627 1.00 64.20 C ATOM 135 CD1 LEU A 10 -13.625 -4.667 -1.084 1.00 63.11 C ATOM 136 CD2 LEU A 10 -13.686 -3.075 0.889 1.00 1.32 C ATOM 0 H LEU A 10 -13.951 -0.784 -0.896 1.00 31.25 H new ATOM 0 HA LEU A 10 -11.532 -1.367 0.469 1.00 35.05 H new ATOM 0 HB2 LEU A 10 -12.291 -2.467 -2.199 1.00 10.13 H new ATOM 0 HB3 LEU A 10 -11.415 -3.226 -0.885 1.00 10.13 H new ATOM 0 HG LEU A 10 -14.379 -2.682 -1.079 1.00 64.20 H new ATOM 0 HD11 LEU A 10 -14.555 -5.107 -0.725 1.00 63.11 H new ATOM 0 HD12 LEU A 10 -13.601 -4.709 -2.173 1.00 63.11 H new ATOM 0 HD13 LEU A 10 -12.780 -5.225 -0.681 1.00 63.11 H new ATOM 0 HD21 LEU A 10 -14.615 -3.547 1.209 1.00 1.32 H new ATOM 0 HD22 LEU A 10 -12.844 -3.562 1.380 1.00 1.32 H new ATOM 0 HD23 LEU A 10 -13.704 -2.019 1.160 1.00 1.32 H new ATOM 148 N GLY A 11 -11.307 0.427 -2.215 1.00 24.20 N ATOM 149 CA GLY A 11 -10.396 1.219 -3.026 1.00 45.30 C ATOM 150 C GLY A 11 -9.395 1.972 -2.148 1.00 22.03 C ATOM 151 O GLY A 11 -8.252 2.184 -2.548 1.00 75.23 O ATOM 0 H GLY A 11 -12.296 0.580 -2.411 1.00 24.20 H new ATOM 0 HA2 GLY A 11 -9.861 0.569 -3.718 1.00 45.30 H new ATOM 0 HA3 GLY A 11 -10.963 1.929 -3.628 1.00 45.30 H new ATOM 155 N ALA A 12 -9.861 2.354 -0.968 1.00 22.32 N ATOM 156 CA ALA A 12 -9.020 3.079 -0.031 1.00 31.02 C ATOM 157 C ALA A 12 -8.168 2.083 0.759 1.00 71.11 C ATOM 158 O ALA A 12 -7.125 2.446 1.301 1.00 62.32 O ATOM 159 CB ALA A 12 -9.896 3.945 0.877 1.00 24.22 C ATOM 0 H ALA A 12 -10.810 2.175 -0.640 1.00 22.32 H new ATOM 0 HA ALA A 12 -8.341 3.746 -0.562 1.00 31.02 H new ATOM 0 HB1 ALA A 12 -9.265 4.489 1.580 1.00 24.22 H new ATOM 0 HB2 ALA A 12 -10.459 4.655 0.270 1.00 24.22 H new ATOM 0 HB3 ALA A 12 -10.589 3.309 1.428 1.00 24.22 H new ATOM 165 N ALA A 13 -8.644 0.848 0.798 1.00 51.42 N ATOM 166 CA ALA A 13 -7.939 -0.204 1.512 1.00 74.34 C ATOM 167 C ALA A 13 -6.853 -0.790 0.606 1.00 33.24 C ATOM 168 O ALA A 13 -6.191 -1.760 0.973 1.00 71.41 O ATOM 169 CB ALA A 13 -8.938 -1.261 1.982 1.00 1.51 C ATOM 0 H ALA A 13 -9.509 0.551 0.347 1.00 51.42 H new ATOM 0 HA ALA A 13 -7.448 0.197 2.399 1.00 74.34 H new ATOM 0 HB1 ALA A 13 -8.409 -2.049 2.517 1.00 1.51 H new ATOM 0 HB2 ALA A 13 -9.670 -0.800 2.645 1.00 1.51 H new ATOM 0 HB3 ALA A 13 -9.449 -1.688 1.119 1.00 1.51 H new ATOM 175 N GLY A 14 -6.703 -0.175 -0.558 1.00 24.31 N ATOM 176 CA GLY A 14 -5.710 -0.623 -1.518 1.00 53.14 C ATOM 177 C GLY A 14 -4.294 -0.430 -0.973 1.00 33.12 C ATOM 178 O GLY A 14 -3.356 -1.085 -1.424 1.00 13.40 O ATOM 0 H GLY A 14 -7.253 0.630 -0.858 1.00 24.31 H new ATOM 0 HA2 GLY A 14 -5.873 -1.675 -1.751 1.00 53.14 H new ATOM 0 HA3 GLY A 14 -5.824 -0.069 -2.450 1.00 53.14 H new ATOM 182 N SER A 15 -4.183 0.475 -0.011 1.00 61.40 N ATOM 183 CA SER A 15 -2.897 0.763 0.600 1.00 34.13 C ATOM 184 C SER A 15 -2.809 0.097 1.975 1.00 65.23 C ATOM 185 O SER A 15 -1.717 -0.208 2.452 1.00 1.25 O ATOM 186 CB SER A 15 -2.674 2.272 0.728 1.00 31.13 C ATOM 187 OG SER A 15 -3.719 2.906 1.461 1.00 71.01 O ATOM 0 H SER A 15 -4.963 1.018 0.360 1.00 61.40 H new ATOM 0 HA SER A 15 -2.115 0.359 -0.043 1.00 34.13 H new ATOM 0 HB2 SER A 15 -1.720 2.457 1.223 1.00 31.13 H new ATOM 0 HB3 SER A 15 -2.608 2.714 -0.266 1.00 31.13 H new ATOM 0 HG SER A 15 -3.539 3.867 1.522 1.00 71.01 H new ATOM 193 N LYS A 16 -3.974 -0.111 2.571 1.00 13.22 N ATOM 194 CA LYS A 16 -4.042 -0.736 3.881 1.00 45.53 C ATOM 195 C LYS A 16 -3.877 -2.251 3.728 1.00 60.32 C ATOM 196 O LYS A 16 -3.445 -2.929 4.659 1.00 65.42 O ATOM 197 CB LYS A 16 -5.327 -0.329 4.604 1.00 24.40 C ATOM 198 CG LYS A 16 -5.303 1.157 4.967 1.00 32.43 C ATOM 199 CD LYS A 16 -4.853 1.360 6.416 1.00 24.23 C ATOM 200 CE LYS A 16 -6.052 1.353 7.368 1.00 63.32 C ATOM 201 NZ LYS A 16 -7.008 2.423 7.006 1.00 52.15 N ATOM 0 H LYS A 16 -4.878 0.142 2.171 1.00 13.22 H new ATOM 0 HA LYS A 16 -3.224 -0.387 4.512 1.00 45.53 H new ATOM 0 HB2 LYS A 16 -6.188 -0.538 3.969 1.00 24.40 H new ATOM 0 HB3 LYS A 16 -5.445 -0.926 5.508 1.00 24.40 H new ATOM 0 HG2 LYS A 16 -4.629 1.688 4.295 1.00 32.43 H new ATOM 0 HG3 LYS A 16 -6.295 1.585 4.827 1.00 32.43 H new ATOM 0 HD2 LYS A 16 -4.155 0.571 6.698 1.00 24.23 H new ATOM 0 HD3 LYS A 16 -4.318 2.306 6.506 1.00 24.23 H new ATOM 0 HE2 LYS A 16 -6.550 0.384 7.328 1.00 63.32 H new ATOM 0 HE3 LYS A 16 -5.710 1.494 8.393 1.00 63.32 H new ATOM 0 HZ1 LYS A 16 -7.502 2.751 7.860 1.00 52.15 H new ATOM 0 HZ2 LYS A 16 -6.493 3.218 6.577 1.00 52.15 H new ATOM 0 HZ3 LYS A 16 -7.702 2.053 6.325 1.00 52.15 H new ATOM 214 N LYS A 17 -4.231 -2.735 2.547 1.00 70.43 N ATOM 215 CA LYS A 17 -4.127 -4.156 2.259 1.00 53.11 C ATOM 216 C LYS A 17 -2.673 -4.601 2.425 1.00 70.54 C ATOM 217 O LYS A 17 -1.792 -4.132 1.705 1.00 75.12 O ATOM 218 CB LYS A 17 -4.713 -4.467 0.881 1.00 2.31 C ATOM 219 CG LYS A 17 -4.216 -5.821 0.367 1.00 74.34 C ATOM 220 CD LYS A 17 -5.125 -6.353 -0.742 1.00 63.04 C ATOM 221 CE LYS A 17 -4.323 -6.658 -2.010 1.00 11.03 C ATOM 222 NZ LYS A 17 -4.825 -7.890 -2.657 1.00 45.31 N ATOM 0 H LYS A 17 -4.590 -2.169 1.778 1.00 70.43 H new ATOM 0 HA LYS A 17 -4.719 -4.733 2.969 1.00 53.11 H new ATOM 0 HB2 LYS A 17 -5.802 -4.473 0.937 1.00 2.31 H new ATOM 0 HB3 LYS A 17 -4.434 -3.682 0.178 1.00 2.31 H new ATOM 0 HG2 LYS A 17 -3.198 -5.720 -0.009 1.00 74.34 H new ATOM 0 HG3 LYS A 17 -4.182 -6.536 1.189 1.00 74.34 H new ATOM 0 HD2 LYS A 17 -5.630 -7.257 -0.401 1.00 63.04 H new ATOM 0 HD3 LYS A 17 -5.900 -5.620 -0.965 1.00 63.04 H new ATOM 0 HE2 LYS A 17 -4.396 -5.820 -2.704 1.00 11.03 H new ATOM 0 HE3 LYS A 17 -3.268 -6.775 -1.761 1.00 11.03 H new ATOM 0 HZ1 LYS A 17 -4.270 -8.082 -3.515 1.00 45.31 H new ATOM 0 HZ2 LYS A 17 -4.733 -8.690 -1.999 1.00 45.31 H new ATOM 0 HZ3 LYS A 17 -5.825 -7.765 -2.912 1.00 45.31 H new HETATM 235 C1 ACA A 18 0.754 -7.417 8.538 1.00 50.03 C HETATM 236 O1 ACA A 18 1.970 -7.563 8.643 1.00 53.13 O HETATM 237 C2 ACA A 18 0.620 -7.022 7.118 1.00 24.44 C HETATM 238 C3 ACA A 18 -0.845 -7.087 6.680 1.00 42.02 C HETATM 239 C4 ACA A 18 -1.317 -5.735 6.144 1.00 25.42 C HETATM 240 C5 ACA A 18 -0.541 -5.342 4.884 1.00 1.42 C HETATM 241 C6 ACA A 18 -1.133 -6.013 3.644 1.00 23.32 C HETATM 242 N6 ACA A 18 -2.466 -5.500 3.375 1.00 21.21 N HETATM 0 H62 ACA A 18 -0.488 -5.835 2.784 1.00 23.32 H new HETATM 0 H61 ACA A 18 -1.175 -7.092 3.792 1.00 23.32 H new HETATM 0 H52 ACA A 18 -0.564 -4.259 4.762 1.00 1.42 H new HETATM 0 H51 ACA A 18 0.505 -5.629 4.993 1.00 1.42 H new HETATM 0 H42 ACA A 18 -2.383 -5.781 5.919 1.00 25.42 H new HETATM 0 H41 ACA A 18 -1.185 -4.970 6.910 1.00 25.42 H new HETATM 0 H32 ACA A 18 -0.965 -7.849 5.910 1.00 42.02 H new HETATM 0 H31 ACA A 18 -1.468 -7.385 7.523 1.00 42.02 H new HETATM 0 H22 ACA A 18 1.003 -6.011 6.978 1.00 24.44 H new HETATM 0 H21 ACA A 18 1.222 -7.681 6.493 1.00 24.44 H new ATOM 254 N LYS A 19 0.017 -6.660 9.336 1.00 31.34 N ATOM 255 CA LYS A 19 0.620 -5.921 10.432 1.00 33.34 C ATOM 256 C LYS A 19 0.357 -6.660 11.746 1.00 24.53 C ATOM 257 O LYS A 19 1.293 -7.074 12.427 1.00 50.51 O ATOM 258 CB LYS A 19 0.130 -4.471 10.435 1.00 70.33 C ATOM 259 CG LYS A 19 0.857 -3.645 9.370 1.00 44.51 C ATOM 260 CD LYS A 19 -0.067 -2.579 8.779 1.00 64.01 C ATOM 261 CE LYS A 19 -0.029 -1.296 9.612 1.00 62.42 C ATOM 262 NZ LYS A 19 -0.612 -0.167 8.852 1.00 13.32 N ATOM 0 HA LYS A 19 1.701 -5.868 10.305 1.00 33.34 H new ATOM 0 HB2 LYS A 19 -0.944 -4.446 10.250 1.00 70.33 H new ATOM 0 HB3 LYS A 19 0.294 -4.030 11.418 1.00 70.33 H new ATOM 0 HG2 LYS A 19 1.733 -3.169 9.809 1.00 44.51 H new ATOM 0 HG3 LYS A 19 1.215 -4.302 8.577 1.00 44.51 H new ATOM 0 HD2 LYS A 19 0.233 -2.360 7.754 1.00 64.01 H new ATOM 0 HD3 LYS A 19 -1.087 -2.960 8.738 1.00 64.01 H new ATOM 0 HE2 LYS A 19 -0.582 -1.441 10.540 1.00 62.42 H new ATOM 0 HE3 LYS A 19 1.000 -1.064 9.887 1.00 62.42 H new ATOM 0 HZ1 LYS A 19 -0.578 0.696 9.432 1.00 13.32 H new ATOM 0 HZ2 LYS A 19 -0.068 -0.019 7.978 1.00 13.32 H new ATOM 0 HZ3 LYS A 19 -1.600 -0.384 8.611 1.00 13.32 H new ATOM 275 N ASN A 20 -0.922 -6.803 12.062 1.00 21.41 N ATOM 276 CA ASN A 20 -1.320 -7.485 13.281 1.00 13.03 C ATOM 277 C ASN A 20 -1.249 -8.998 13.061 1.00 73.42 C ATOM 278 O ASN A 20 -1.402 -9.472 11.937 1.00 63.43 O ATOM 279 CB ASN A 20 -2.757 -7.130 13.667 1.00 44.55 C ATOM 280 CG ASN A 20 -2.789 -5.952 14.643 1.00 53.43 C ATOM 281 OD1 ASN A 20 -3.079 -4.823 14.284 1.00 14.22 O ATOM 282 ND2 ASN A 20 -2.475 -6.278 15.893 1.00 12.52 N ATOM 0 H ASN A 20 -1.696 -6.458 11.494 1.00 21.41 H new ATOM 0 HA ASN A 20 -0.645 -7.172 14.078 1.00 13.03 H new ATOM 0 HB2 ASN A 20 -3.326 -6.880 12.772 1.00 44.55 H new ATOM 0 HB3 ASN A 20 -3.240 -7.996 14.121 1.00 44.55 H new ATOM 0 HD21 ASN A 20 -2.467 -5.563 16.620 1.00 12.52 H new ATOM 0 HD22 ASN A 20 -2.242 -7.244 16.125 1.00 12.52 H new ATOM 289 N GLU A 21 -1.016 -9.712 14.152 1.00 0.32 N ATOM 290 CA GLU A 21 -0.923 -11.161 14.092 1.00 73.33 C ATOM 291 C GLU A 21 -2.241 -11.758 13.596 1.00 24.22 C ATOM 292 O GLU A 21 -2.298 -12.930 13.230 1.00 74.33 O ATOM 293 CB GLU A 21 -0.535 -11.742 15.453 1.00 43.42 C ATOM 294 CG GLU A 21 -1.551 -12.791 15.910 1.00 54.11 C ATOM 295 CD GLU A 21 -1.195 -13.330 17.298 1.00 30.20 C ATOM 296 OE1 GLU A 21 -0.055 -13.764 17.521 1.00 50.40 O ATOM 297 OE2 GLU A 21 -2.152 -13.285 18.162 1.00 21.11 O ATOM 0 H GLU A 21 -0.889 -9.314 15.083 1.00 0.32 H new ATOM 0 HA GLU A 21 -0.138 -11.426 13.384 1.00 73.33 H new ATOM 0 HB2 GLU A 21 0.456 -12.192 15.391 1.00 43.42 H new ATOM 0 HB3 GLU A 21 -0.476 -10.942 16.191 1.00 43.42 H new ATOM 0 HG2 GLU A 21 -2.548 -12.352 15.931 1.00 54.11 H new ATOM 0 HG3 GLU A 21 -1.579 -13.612 15.193 1.00 54.11 H new ATOM 305 N GLN A 22 -3.271 -10.923 13.601 1.00 34.21 N ATOM 306 CA GLN A 22 -4.585 -11.354 13.157 1.00 72.31 C ATOM 307 C GLN A 22 -4.509 -11.909 11.734 1.00 64.23 C ATOM 308 O GLN A 22 -5.304 -12.767 11.355 1.00 63.32 O ATOM 309 CB GLN A 22 -5.596 -10.208 13.245 1.00 1.01 C ATOM 310 CG GLN A 22 -5.115 -8.990 12.454 1.00 72.11 C ATOM 311 CD GLN A 22 -5.898 -8.839 11.148 1.00 24.15 C ATOM 312 OE1 GLN A 22 -7.061 -9.195 11.048 1.00 62.44 O ATOM 313 NE2 GLN A 22 -5.198 -8.293 10.157 1.00 1.32 N ATOM 0 H GLN A 22 -3.221 -9.951 13.906 1.00 34.21 H new ATOM 0 HA GLN A 22 -4.928 -12.150 13.818 1.00 72.31 H new ATOM 0 HB2 GLN A 22 -6.560 -10.539 12.859 1.00 1.01 H new ATOM 0 HB3 GLN A 22 -5.748 -9.932 14.288 1.00 1.01 H new ATOM 0 HG2 GLN A 22 -5.232 -8.090 13.058 1.00 72.11 H new ATOM 0 HG3 GLN A 22 -4.052 -9.091 12.235 1.00 72.11 H new ATOM 0 HE21 GLN A 22 -4.228 -8.018 10.309 1.00 1.32 H new ATOM 0 HE22 GLN A 22 -5.632 -8.150 9.245 1.00 1.32 H new ATOM 322 N GLU A 23 -3.544 -11.396 10.983 1.00 24.15 N ATOM 323 CA GLU A 23 -3.353 -11.830 9.609 1.00 11.13 C ATOM 324 C GLU A 23 -2.892 -13.288 9.573 1.00 13.11 C ATOM 325 O GLU A 23 -3.119 -13.990 8.588 1.00 13.03 O ATOM 326 CB GLU A 23 -2.361 -10.922 8.881 1.00 42.23 C ATOM 327 CG GLU A 23 -2.266 -11.292 7.399 1.00 43.12 C ATOM 328 CD GLU A 23 -1.141 -10.515 6.711 1.00 41.04 C ATOM 329 OE1 GLU A 23 -0.113 -10.225 7.341 1.00 22.24 O ATOM 330 OE2 GLU A 23 -1.363 -10.214 5.477 1.00 35.42 O ATOM 0 H GLU A 23 -2.886 -10.684 11.300 1.00 24.15 H new ATOM 0 HA GLU A 23 -4.308 -11.759 9.089 1.00 11.13 H new ATOM 0 HB2 GLU A 23 -2.673 -9.882 8.981 1.00 42.23 H new ATOM 0 HB3 GLU A 23 -1.378 -11.006 9.344 1.00 42.23 H new ATOM 0 HG2 GLU A 23 -2.088 -12.363 7.298 1.00 43.12 H new ATOM 0 HG3 GLU A 23 -3.214 -11.079 6.906 1.00 43.12 H new ATOM 338 N LEU A 24 -2.253 -13.701 10.657 1.00 53.31 N ATOM 339 CA LEU A 24 -1.757 -15.063 10.762 1.00 33.44 C ATOM 340 C LEU A 24 -2.851 -16.034 10.311 1.00 73.23 C ATOM 341 O LEU A 24 -2.627 -16.858 9.425 1.00 21.21 O ATOM 342 CB LEU A 24 -1.236 -15.336 12.173 1.00 14.24 C ATOM 343 CG LEU A 24 0.028 -14.575 12.581 1.00 44.41 C ATOM 344 CD1 LEU A 24 1.006 -15.491 13.320 1.00 21.32 C ATOM 345 CD2 LEU A 24 0.677 -13.902 11.371 1.00 63.41 C ATOM 0 H LEU A 24 -2.067 -13.116 11.472 1.00 53.31 H new ATOM 0 HA LEU A 24 -0.905 -15.211 10.099 1.00 33.44 H new ATOM 0 HB2 LEU A 24 -2.027 -15.095 12.884 1.00 14.24 H new ATOM 0 HB3 LEU A 24 -1.039 -16.404 12.266 1.00 14.24 H new ATOM 0 HG LEU A 24 -0.259 -13.784 13.274 1.00 44.41 H new ATOM 0 HD11 LEU A 24 1.895 -14.925 13.598 1.00 21.32 H new ATOM 0 HD12 LEU A 24 0.529 -15.883 14.218 1.00 21.32 H new ATOM 0 HD13 LEU A 24 1.291 -16.318 12.670 1.00 21.32 H new ATOM 0 HD21 LEU A 24 1.573 -13.368 11.689 1.00 63.41 H new ATOM 0 HD22 LEU A 24 0.947 -14.659 10.635 1.00 63.41 H new ATOM 0 HD23 LEU A 24 -0.026 -13.198 10.926 1.00 63.41 H new ATOM 357 N LEU A 25 -4.009 -15.906 10.942 1.00 74.24 N ATOM 358 CA LEU A 25 -5.136 -16.763 10.617 1.00 24.43 C ATOM 359 C LEU A 25 -5.496 -16.586 9.141 1.00 2.21 C ATOM 360 O LEU A 25 -6.037 -17.497 8.517 1.00 62.32 O ATOM 361 CB LEU A 25 -6.303 -16.498 11.571 1.00 35.43 C ATOM 362 CG LEU A 25 -7.373 -17.589 11.643 1.00 52.14 C ATOM 363 CD1 LEU A 25 -7.541 -18.097 13.075 1.00 21.13 C ATOM 364 CD2 LEU A 25 -8.695 -17.101 11.047 1.00 11.12 C ATOM 0 H LEU A 25 -4.191 -15.222 11.676 1.00 74.24 H new ATOM 0 HA LEU A 25 -4.871 -17.811 10.758 1.00 24.43 H new ATOM 0 HB2 LEU A 25 -5.900 -16.346 12.572 1.00 35.43 H new ATOM 0 HB3 LEU A 25 -6.783 -15.565 11.275 1.00 35.43 H new ATOM 0 HG LEU A 25 -7.042 -18.434 11.039 1.00 52.14 H new ATOM 0 HD11 LEU A 25 -8.307 -18.872 13.099 1.00 21.13 H new ATOM 0 HD12 LEU A 25 -6.596 -18.510 13.428 1.00 21.13 H new ATOM 0 HD13 LEU A 25 -7.840 -17.272 13.721 1.00 21.13 H new ATOM 0 HD21 LEU A 25 -9.438 -17.896 11.111 1.00 11.12 H new ATOM 0 HD22 LEU A 25 -9.045 -16.231 11.602 1.00 11.12 H new ATOM 0 HD23 LEU A 25 -8.544 -16.828 10.003 1.00 11.12 H new ATOM 376 N GLU A 26 -5.182 -15.407 8.624 1.00 12.05 N ATOM 377 CA GLU A 26 -5.466 -15.098 7.234 1.00 41.32 C ATOM 378 C GLU A 26 -4.424 -15.750 6.323 1.00 43.04 C ATOM 379 O GLU A 26 -4.691 -16.001 5.148 1.00 53.44 O ATOM 380 CB GLU A 26 -5.524 -13.586 7.007 1.00 51.24 C ATOM 381 CG GLU A 26 -6.949 -13.134 6.687 1.00 0.24 C ATOM 382 CD GLU A 26 -6.943 -11.872 5.823 1.00 74.22 C ATOM 383 OE1 GLU A 26 -5.928 -11.162 5.770 1.00 74.50 O ATOM 384 OE2 GLU A 26 -8.042 -11.639 5.189 1.00 14.13 O ATOM 0 H GLU A 26 -4.733 -14.653 9.144 1.00 12.05 H new ATOM 0 HA GLU A 26 -6.446 -15.506 6.985 1.00 41.32 H new ATOM 0 HB2 GLU A 26 -5.165 -13.067 7.896 1.00 51.24 H new ATOM 0 HB3 GLU A 26 -4.859 -13.312 6.188 1.00 51.24 H new ATOM 0 HG2 GLU A 26 -7.479 -13.932 6.168 1.00 0.24 H new ATOM 0 HG3 GLU A 26 -7.490 -12.942 7.614 1.00 0.24 H new ATOM 392 N LEU A 27 -3.257 -16.005 6.898 1.00 5.44 N ATOM 393 CA LEU A 27 -2.174 -16.623 6.152 1.00 32.14 C ATOM 394 C LEU A 27 -2.638 -17.979 5.616 1.00 14.31 C ATOM 395 O LEU A 27 -2.475 -18.271 4.434 1.00 60.15 O ATOM 396 CB LEU A 27 -0.910 -16.700 7.010 1.00 54.51 C ATOM 397 CG LEU A 27 0.412 -16.450 6.281 1.00 64.22 C ATOM 398 CD1 LEU A 27 0.591 -17.431 5.120 1.00 31.45 C ATOM 399 CD2 LEU A 27 0.519 -14.995 5.823 1.00 30.04 C ATOM 0 H LEU A 27 -3.038 -15.795 7.872 1.00 5.44 H new ATOM 0 HA LEU A 27 -1.909 -16.013 5.288 1.00 32.14 H new ATOM 0 HB2 LEU A 27 -0.999 -15.974 7.819 1.00 54.51 H new ATOM 0 HB3 LEU A 27 -0.867 -17.687 7.471 1.00 54.51 H new ATOM 0 HG LEU A 27 1.228 -16.627 6.982 1.00 64.22 H new ATOM 0 HD11 LEU A 27 1.538 -17.232 4.618 1.00 31.45 H new ATOM 0 HD12 LEU A 27 0.590 -18.452 5.503 1.00 31.45 H new ATOM 0 HD13 LEU A 27 -0.228 -17.309 4.411 1.00 31.45 H new ATOM 0 HD21 LEU A 27 1.468 -14.845 5.308 1.00 30.04 H new ATOM 0 HD22 LEU A 27 -0.303 -14.766 5.144 1.00 30.04 H new ATOM 0 HD23 LEU A 27 0.468 -14.336 6.690 1.00 30.04 H new ATOM 411 N ASP A 28 -3.207 -18.772 6.514 1.00 74.50 N ATOM 412 CA ASP A 28 -3.695 -20.089 6.146 1.00 52.54 C ATOM 413 C ASP A 28 -5.050 -19.950 5.450 1.00 53.13 C ATOM 414 O ASP A 28 -5.504 -20.875 4.777 1.00 53.33 O ATOM 415 CB ASP A 28 -3.886 -20.970 7.382 1.00 43.11 C ATOM 416 CG ASP A 28 -3.433 -22.422 7.218 1.00 43.35 C ATOM 417 OD1 ASP A 28 -4.141 -23.248 6.622 1.00 54.40 O ATOM 418 OD2 ASP A 28 -2.285 -22.698 7.739 1.00 23.35 O ATOM 0 H ASP A 28 -3.340 -18.526 7.495 1.00 74.50 H new ATOM 0 HA ASP A 28 -2.960 -20.549 5.485 1.00 52.54 H new ATOM 0 HB2 ASP A 28 -3.339 -20.526 8.214 1.00 43.11 H new ATOM 0 HB3 ASP A 28 -4.941 -20.963 7.655 1.00 43.11 H new ATOM 424 N LYS A 29 -5.658 -18.788 5.635 1.00 70.50 N ATOM 425 CA LYS A 29 -6.952 -18.516 5.033 1.00 12.21 C ATOM 426 C LYS A 29 -6.774 -18.291 3.530 1.00 14.43 C ATOM 427 O LYS A 29 -7.580 -18.762 2.728 1.00 72.22 O ATOM 428 CB LYS A 29 -7.644 -17.356 5.751 1.00 22.21 C ATOM 429 CG LYS A 29 -9.151 -17.366 5.483 1.00 34.55 C ATOM 430 CD LYS A 29 -9.510 -16.418 4.336 1.00 33.00 C ATOM 431 CE LYS A 29 -11.026 -16.325 4.158 1.00 64.13 C ATOM 432 NZ LYS A 29 -11.371 -16.182 2.725 1.00 50.32 N ATOM 0 H LYS A 29 -5.278 -18.024 6.194 1.00 70.50 H new ATOM 0 HA LYS A 29 -7.614 -19.374 5.151 1.00 12.21 H new ATOM 0 HB2 LYS A 29 -7.461 -17.426 6.823 1.00 22.21 H new ATOM 0 HB3 LYS A 29 -7.218 -16.410 5.416 1.00 22.21 H new ATOM 0 HG2 LYS A 29 -9.474 -18.378 5.238 1.00 34.55 H new ATOM 0 HG3 LYS A 29 -9.686 -17.070 6.385 1.00 34.55 H new ATOM 0 HD2 LYS A 29 -9.102 -15.427 4.537 1.00 33.00 H new ATOM 0 HD3 LYS A 29 -9.052 -16.770 3.411 1.00 33.00 H new ATOM 0 HE2 LYS A 29 -11.502 -17.217 4.566 1.00 64.13 H new ATOM 0 HE3 LYS A 29 -11.413 -15.474 4.718 1.00 64.13 H new ATOM 0 HZ1 LYS A 29 -12.404 -16.120 2.621 1.00 50.32 H new ATOM 0 HZ2 LYS A 29 -10.933 -15.318 2.347 1.00 50.32 H new ATOM 0 HZ3 LYS A 29 -11.019 -17.007 2.199 1.00 50.32 H new ATOM 445 N TRP A 30 -5.713 -17.571 3.194 1.00 44.54 N ATOM 446 CA TRP A 30 -5.418 -17.279 1.802 1.00 24.12 C ATOM 447 C TRP A 30 -4.615 -18.449 1.231 1.00 33.10 C ATOM 448 O TRP A 30 -4.908 -18.934 0.140 1.00 71.33 O ATOM 449 CB TRP A 30 -4.698 -15.936 1.665 1.00 2.11 C ATOM 450 CG TRP A 30 -3.201 -15.998 1.979 1.00 24.12 C ATOM 451 CD1 TRP A 30 -2.570 -15.554 3.073 1.00 14.21 C ATOM 452 CD2 TRP A 30 -2.169 -16.557 1.140 1.00 30.35 C ATOM 453 NE1 TRP A 30 -1.211 -15.784 3.002 1.00 40.43 N ATOM 454 CE2 TRP A 30 -0.960 -16.414 1.789 1.00 64.12 C ATOM 455 CE3 TRP A 30 -2.254 -17.163 -0.126 1.00 12.25 C ATOM 456 CZ2 TRP A 30 0.256 -16.852 1.250 1.00 65.14 C ATOM 457 CZ3 TRP A 30 -1.031 -17.596 -0.651 1.00 32.13 C ATOM 458 CH2 TRP A 30 0.195 -17.460 -0.010 1.00 32.14 C ATOM 0 H TRP A 30 -5.048 -17.182 3.862 1.00 44.54 H new ATOM 0 HA TRP A 30 -6.338 -17.177 1.227 1.00 24.12 H new ATOM 0 HB2 TRP A 30 -4.831 -15.566 0.648 1.00 2.11 H new ATOM 0 HB3 TRP A 30 -5.169 -15.213 2.331 1.00 2.11 H new ATOM 0 HD1 TRP A 30 -3.063 -15.076 3.907 1.00 14.21 H new ATOM 0 HE1 TRP A 30 -0.519 -15.537 3.709 1.00 40.43 H new ATOM 0 HE3 TRP A 30 -3.189 -17.285 -0.652 1.00 12.25 H new ATOM 0 HZ2 TRP A 30 1.190 -16.728 1.777 1.00 65.14 H new ATOM 0 HZ3 TRP A 30 -1.040 -18.069 -1.622 1.00 32.13 H new ATOM 0 HH2 TRP A 30 1.097 -17.822 -0.482 1.00 32.14 H new ATOM 469 N ALA A 31 -3.618 -18.869 1.996 1.00 3.53 N ATOM 470 CA ALA A 31 -2.770 -19.974 1.581 1.00 3.41 C ATOM 471 C ALA A 31 -3.640 -21.201 1.301 1.00 65.44 C ATOM 472 O ALA A 31 -3.211 -22.126 0.612 1.00 23.22 O ATOM 473 CB ALA A 31 -1.716 -20.241 2.657 1.00 32.22 C ATOM 0 H ALA A 31 -3.378 -18.464 2.901 1.00 3.53 H new ATOM 0 HA ALA A 31 -2.241 -19.727 0.660 1.00 3.41 H new ATOM 0 HB1 ALA A 31 -1.080 -21.070 2.346 1.00 32.22 H new ATOM 0 HB2 ALA A 31 -1.106 -19.349 2.798 1.00 32.22 H new ATOM 0 HB3 ALA A 31 -2.210 -20.495 3.595 1.00 32.22 H new ATOM 479 N SER A 32 -4.846 -21.170 1.848 1.00 11.21 N ATOM 480 CA SER A 32 -5.780 -22.268 1.665 1.00 63.30 C ATOM 481 C SER A 32 -6.008 -22.519 0.173 1.00 75.50 C ATOM 482 O SER A 32 -6.247 -23.652 -0.241 1.00 41.33 O ATOM 483 CB SER A 32 -7.111 -21.982 2.364 1.00 31.43 C ATOM 484 OG SER A 32 -8.191 -22.690 1.764 1.00 5.44 O ATOM 0 H SER A 32 -5.198 -20.401 2.418 1.00 11.21 H new ATOM 0 HA SER A 32 -5.348 -23.162 2.116 1.00 63.30 H new ATOM 0 HB2 SER A 32 -7.035 -22.259 3.415 1.00 31.43 H new ATOM 0 HB3 SER A 32 -7.316 -20.912 2.330 1.00 31.43 H new ATOM 0 HG SER A 32 -9.023 -22.482 2.239 1.00 5.44 H new ATOM 490 N LEU A 33 -5.925 -21.441 -0.595 1.00 55.55 N ATOM 491 CA LEU A 33 -6.119 -21.530 -2.032 1.00 40.14 C ATOM 492 C LEU A 33 -5.287 -22.690 -2.584 1.00 13.12 C ATOM 493 O LEU A 33 -5.664 -23.314 -3.574 1.00 10.34 O ATOM 494 CB LEU A 33 -5.817 -20.186 -2.698 1.00 33.10 C ATOM 495 CG LEU A 33 -4.506 -20.105 -3.483 1.00 11.54 C ATOM 496 CD1 LEU A 33 -4.521 -18.925 -4.456 1.00 25.13 C ATOM 497 CD2 LEU A 33 -3.304 -20.051 -2.537 1.00 44.42 C ATOM 0 H LEU A 33 -5.726 -20.502 -0.249 1.00 55.55 H new ATOM 0 HA LEU A 33 -7.162 -21.747 -2.262 1.00 40.14 H new ATOM 0 HB2 LEU A 33 -6.638 -19.946 -3.374 1.00 33.10 H new ATOM 0 HB3 LEU A 33 -5.804 -19.416 -1.927 1.00 33.10 H new ATOM 0 HG LEU A 33 -4.408 -21.013 -4.079 1.00 11.54 H new ATOM 0 HD11 LEU A 33 -3.578 -18.891 -5.001 1.00 25.13 H new ATOM 0 HD12 LEU A 33 -5.343 -19.045 -5.161 1.00 25.13 H new ATOM 0 HD13 LEU A 33 -4.653 -17.997 -3.900 1.00 25.13 H new ATOM 0 HD21 LEU A 33 -2.385 -19.994 -3.120 1.00 44.42 H new ATOM 0 HD22 LEU A 33 -3.384 -19.172 -1.897 1.00 44.42 H new ATOM 0 HD23 LEU A 33 -3.287 -20.949 -1.919 1.00 44.42 H new ATOM 509 N TRP A 34 -4.169 -22.943 -1.919 1.00 50.33 N ATOM 510 CA TRP A 34 -3.280 -24.017 -2.330 1.00 71.31 C ATOM 511 C TRP A 34 -4.041 -25.337 -2.196 1.00 51.21 C ATOM 512 O TRP A 34 -4.139 -26.101 -3.155 1.00 54.42 O ATOM 513 CB TRP A 34 -1.980 -23.991 -1.525 1.00 51.41 C ATOM 514 CG TRP A 34 -1.176 -22.699 -1.682 1.00 13.33 C ATOM 515 CD1 TRP A 34 -0.757 -21.866 -0.719 1.00 23.14 C ATOM 516 CD2 TRP A 34 -0.707 -22.123 -2.919 1.00 0.30 C ATOM 517 NE1 TRP A 34 -0.056 -20.798 -1.243 1.00 64.35 N ATOM 518 CE2 TRP A 34 -0.024 -20.960 -2.624 1.00 0.32 C ATOM 519 CE3 TRP A 34 -0.854 -22.569 -4.244 1.00 1.13 C ATOM 520 CZ2 TRP A 34 0.564 -20.148 -3.600 1.00 75.51 C ATOM 521 CZ3 TRP A 34 -0.260 -21.746 -5.208 1.00 11.23 C ATOM 522 CH2 TRP A 34 0.430 -20.572 -4.927 1.00 40.42 C ATOM 0 H TRP A 34 -3.858 -22.423 -1.098 1.00 50.33 H new ATOM 0 HA TRP A 34 -2.979 -23.893 -3.370 1.00 71.31 H new ATOM 0 HB2 TRP A 34 -2.215 -24.135 -0.470 1.00 51.41 H new ATOM 0 HB3 TRP A 34 -1.359 -24.833 -1.831 1.00 51.41 H new ATOM 0 HD1 TRP A 34 -0.944 -22.012 0.335 1.00 23.14 H new ATOM 0 HE1 TRP A 34 0.361 -20.032 -0.715 1.00 64.35 H new ATOM 0 HE3 TRP A 34 -1.384 -23.475 -4.498 1.00 1.13 H new ATOM 0 HZ2 TRP A 34 1.093 -19.242 -3.343 1.00 75.51 H new ATOM 0 HZ3 TRP A 34 -0.344 -22.044 -6.243 1.00 11.23 H new ATOM 0 HH2 TRP A 34 0.860 -19.990 -5.729 1.00 40.42 H new ATOM 533 N ASN A 35 -4.559 -25.566 -0.999 1.00 4.04 N ATOM 534 CA ASN A 35 -5.308 -26.781 -0.727 1.00 42.01 C ATOM 535 C ASN A 35 -6.761 -26.420 -0.409 1.00 73.13 C ATOM 536 O ASN A 35 -7.623 -26.469 -1.286 1.00 53.12 O ATOM 537 CB ASN A 35 -4.731 -27.525 0.479 1.00 4.31 C ATOM 538 CG ASN A 35 -5.123 -26.834 1.787 1.00 41.44 C ATOM 539 OD1 ASN A 35 -6.189 -27.052 2.340 1.00 60.14 O ATOM 540 ND2 ASN A 35 -4.202 -25.994 2.251 1.00 23.53 N ATOM 0 H ASN A 35 -4.475 -24.930 -0.206 1.00 4.04 H new ATOM 0 HA ASN A 35 -5.246 -27.419 -1.608 1.00 42.01 H new ATOM 0 HB2 ASN A 35 -5.093 -28.553 0.484 1.00 4.31 H new ATOM 0 HB3 ASN A 35 -3.645 -27.570 0.398 1.00 4.31 H new ATOM 0 HD21 ASN A 35 -4.367 -25.486 3.120 1.00 23.53 H new ATOM 0 HD22 ASN A 35 -3.331 -25.858 1.738 1.00 23.53 H new TER 547 ASN A 35