USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 293 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.795 X(o=-0.8,f=-0.64) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.016 -4.715 3.996 1.00 5.13 N ATOM 2 CA LYS A 1 3.686 -4.752 2.702 1.00 42.03 C ATOM 3 C LYS A 1 3.105 -5.852 1.820 1.00 72.33 C ATOM 4 O LYS A 1 2.456 -5.576 0.810 1.00 4.32 O ATOM 5 CB LYS A 1 5.189 -4.974 2.888 1.00 51.31 C ATOM 6 CG LYS A 1 6.031 -3.759 2.538 1.00 70.13 C ATOM 7 CD LYS A 1 5.725 -2.586 3.454 1.00 42.24 C ATOM 8 CE LYS A 1 6.764 -1.483 3.313 1.00 72.52 C ATOM 9 NZ LYS A 1 6.717 -0.846 1.968 1.00 62.02 N ATOM 0 H1 LYS A 1 3.428 -3.959 4.579 1.00 5.13 H new ATOM 0 H2 LYS A 1 2.002 -4.531 3.857 1.00 5.13 H new ATOM 0 H3 LYS A 1 3.139 -5.629 4.477 1.00 5.13 H new ATOM 0 HA LYS A 1 3.525 -3.793 2.210 1.00 42.03 H new ATOM 0 HB2 LYS A 1 5.381 -5.253 3.924 1.00 51.31 H new ATOM 0 HB3 LYS A 1 5.503 -5.814 2.269 1.00 51.31 H new ATOM 0 HG2 LYS A 1 7.088 -4.014 2.613 1.00 70.13 H new ATOM 0 HG3 LYS A 1 5.845 -3.472 1.503 1.00 70.13 H new ATOM 0 HD2 LYS A 1 4.737 -2.189 3.221 1.00 42.24 H new ATOM 0 HD3 LYS A 1 5.695 -2.929 4.488 1.00 42.24 H new ATOM 0 HE2 LYS A 1 6.597 -0.726 4.079 1.00 72.52 H new ATOM 0 HE3 LYS A 1 7.758 -1.896 3.485 1.00 72.52 H new ATOM 0 HZ1 LYS A 1 7.440 -0.100 1.912 1.00 62.02 H new ATOM 0 HZ2 LYS A 1 6.902 -1.563 1.238 1.00 62.02 H new ATOM 0 HZ3 LYS A 1 5.777 -0.429 1.814 1.00 62.02 H new ATOM 23 N LYS A 2 3.340 -7.101 2.208 1.00 74.24 N ATOM 24 CA LYS A 2 2.837 -8.244 1.454 1.00 22.13 C ATOM 25 C LYS A 2 3.442 -8.282 0.055 1.00 44.23 C ATOM 26 O LYS A 2 3.045 -7.516 -0.824 1.00 25.41 O ATOM 27 CB LYS A 2 1.311 -8.188 1.360 1.00 12.21 C ATOM 28 CG LYS A 2 0.676 -9.512 0.972 1.00 41.03 C ATOM 29 CD LYS A 2 -0.841 -9.436 1.011 1.00 40.01 C ATOM 30 CE LYS A 2 -1.380 -8.505 -0.064 1.00 13.41 C ATOM 31 NZ LYS A 2 -2.855 -8.638 -0.225 1.00 3.15 N ATOM 0 H LYS A 2 3.876 -7.348 3.040 1.00 74.24 H new ATOM 0 HA LYS A 2 3.129 -9.152 1.982 1.00 22.13 H new ATOM 0 HB2 LYS A 2 0.908 -7.869 2.321 1.00 12.21 H new ATOM 0 HB3 LYS A 2 1.028 -7.431 0.629 1.00 12.21 H new ATOM 0 HG2 LYS A 2 1.001 -9.793 -0.030 1.00 41.03 H new ATOM 0 HG3 LYS A 2 1.020 -10.294 1.650 1.00 41.03 H new ATOM 0 HD2 LYS A 2 -1.260 -10.433 0.874 1.00 40.01 H new ATOM 0 HD3 LYS A 2 -1.164 -9.087 1.992 1.00 40.01 H new ATOM 0 HE2 LYS A 2 -1.134 -7.474 0.192 1.00 13.41 H new ATOM 0 HE3 LYS A 2 -0.890 -8.724 -1.013 1.00 13.41 H new ATOM 0 HZ1 LYS A 2 -3.183 -7.987 -0.967 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -3.088 -9.615 -0.494 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -3.325 -8.405 0.673 1.00 3.15 H new ATOM 45 N TRP A 3 4.403 -9.177 -0.145 1.00 53.04 N ATOM 46 CA TRP A 3 5.061 -9.315 -1.440 1.00 2.24 C ATOM 47 C TRP A 3 4.093 -9.851 -2.488 1.00 64.54 C ATOM 48 O TRP A 3 4.227 -9.561 -3.676 1.00 62.23 O ATOM 49 CB TRP A 3 6.272 -10.242 -1.323 1.00 32.44 C ATOM 50 CG TRP A 3 7.523 -9.662 -1.908 1.00 64.23 C ATOM 51 CD1 TRP A 3 8.226 -8.589 -1.440 1.00 64.02 C ATOM 52 CD2 TRP A 3 8.219 -10.123 -3.072 1.00 55.12 C ATOM 53 NE1 TRP A 3 9.317 -8.355 -2.243 1.00 13.20 N ATOM 54 CE2 TRP A 3 9.335 -9.283 -3.251 1.00 11.44 C ATOM 55 CE3 TRP A 3 8.008 -11.165 -3.980 1.00 11.45 C ATOM 56 CZ2 TRP A 3 10.234 -9.453 -4.300 1.00 3.14 C ATOM 57 CZ3 TRP A 3 8.901 -11.332 -5.020 1.00 63.14 C ATOM 58 CH2 TRP A 3 10.004 -10.481 -5.173 1.00 53.42 C ATOM 0 H TRP A 3 4.744 -9.817 0.572 1.00 53.04 H new ATOM 0 HA TRP A 3 5.398 -8.328 -1.756 1.00 2.24 H new ATOM 0 HB2 TRP A 3 6.444 -10.472 -0.272 1.00 32.44 H new ATOM 0 HB3 TRP A 3 6.049 -11.184 -1.823 1.00 32.44 H new ATOM 0 HD1 TRP A 3 7.964 -8.009 -0.567 1.00 64.02 H new ATOM 0 HE1 TRP A 3 10.002 -7.611 -2.110 1.00 13.20 H new ATOM 0 HE3 TRP A 3 7.162 -11.827 -3.870 1.00 11.45 H new ATOM 0 HZ2 TRP A 3 11.083 -8.797 -4.421 1.00 3.14 H new ATOM 0 HZ3 TRP A 3 8.747 -12.133 -5.728 1.00 63.14 H new ATOM 0 HH2 TRP A 3 10.685 -10.640 -5.996 1.00 53.42 H new ATOM 69 N GLY A 4 3.118 -10.636 -2.041 1.00 33.21 N ATOM 70 CA GLY A 4 2.142 -11.201 -2.955 1.00 13.43 C ATOM 71 C GLY A 4 1.471 -10.145 -3.811 1.00 42.03 C ATOM 72 O GLY A 4 1.070 -10.418 -4.943 1.00 14.54 O ATOM 0 H GLY A 4 2.986 -10.891 -1.062 1.00 33.21 H new ATOM 0 HA2 GLY A 4 2.632 -11.930 -3.600 1.00 13.43 H new ATOM 0 HA3 GLY A 4 1.384 -11.739 -2.385 1.00 13.43 H new ATOM 76 N TRP A 5 1.348 -8.938 -3.271 1.00 44.03 N ATOM 77 CA TRP A 5 0.720 -7.838 -3.994 1.00 12.10 C ATOM 78 C TRP A 5 1.554 -7.435 -5.205 1.00 1.33 C ATOM 79 O TRP A 5 1.017 -6.996 -6.223 1.00 3.33 O ATOM 80 CB TRP A 5 0.528 -6.636 -3.068 1.00 1.21 C ATOM 81 CG TRP A 5 0.025 -5.415 -3.776 1.00 53.42 C ATOM 82 CD1 TRP A 5 0.678 -4.225 -3.923 1.00 44.52 C ATOM 83 CD2 TRP A 5 -1.239 -5.264 -4.432 1.00 31.11 C ATOM 84 NE1 TRP A 5 -0.103 -3.343 -4.631 1.00 31.22 N ATOM 85 CE2 TRP A 5 -1.284 -3.957 -4.955 1.00 61.02 C ATOM 86 CE3 TRP A 5 -2.336 -6.107 -4.630 1.00 12.32 C ATOM 87 CZ2 TRP A 5 -2.383 -3.475 -5.661 1.00 72.51 C ATOM 88 CZ3 TRP A 5 -3.427 -5.627 -5.330 1.00 64.13 C ATOM 89 CH2 TRP A 5 -3.443 -4.322 -5.840 1.00 15.12 C ATOM 0 H TRP A 5 1.675 -8.696 -2.335 1.00 44.03 H new ATOM 0 HA TRP A 5 -0.255 -8.177 -4.345 1.00 12.10 H new ATOM 0 HB2 TRP A 5 -0.173 -6.904 -2.278 1.00 1.21 H new ATOM 0 HB3 TRP A 5 1.477 -6.402 -2.586 1.00 1.21 H new ATOM 0 HD1 TRP A 5 1.664 -4.008 -3.539 1.00 44.52 H new ATOM 0 HE1 TRP A 5 0.155 -2.387 -4.875 1.00 31.22 H new ATOM 0 HE3 TRP A 5 -2.331 -7.115 -4.243 1.00 12.32 H new ATOM 0 HZ2 TRP A 5 -2.398 -2.469 -6.053 1.00 72.51 H new ATOM 0 HZ3 TRP A 5 -4.282 -6.269 -5.486 1.00 64.13 H new ATOM 0 HH2 TRP A 5 -4.309 -3.978 -6.385 1.00 15.12 H new ATOM 100 N LEU A 6 2.869 -7.586 -5.089 1.00 33.13 N ATOM 101 CA LEU A 6 3.778 -7.238 -6.175 1.00 51.41 C ATOM 102 C LEU A 6 3.779 -8.318 -7.252 1.00 11.11 C ATOM 103 O LEU A 6 3.926 -8.026 -8.438 1.00 52.52 O ATOM 104 CB LEU A 6 5.195 -7.038 -5.636 1.00 3.41 C ATOM 105 CG LEU A 6 5.476 -5.690 -4.970 1.00 21.23 C ATOM 106 CD1 LEU A 6 6.632 -5.810 -3.989 1.00 63.30 C ATOM 107 CD2 LEU A 6 5.772 -4.628 -6.018 1.00 51.04 C ATOM 0 H LEU A 6 3.329 -7.947 -4.254 1.00 33.13 H new ATOM 0 HA LEU A 6 3.431 -6.306 -6.622 1.00 51.41 H new ATOM 0 HB2 LEU A 6 5.402 -7.828 -4.914 1.00 3.41 H new ATOM 0 HB3 LEU A 6 5.897 -7.167 -6.460 1.00 3.41 H new ATOM 0 HG LEU A 6 4.587 -5.388 -4.417 1.00 21.23 H new ATOM 0 HD11 LEU A 6 6.817 -4.841 -3.525 1.00 63.30 H new ATOM 0 HD12 LEU A 6 6.381 -6.539 -3.219 1.00 63.30 H new ATOM 0 HD13 LEU A 6 7.527 -6.136 -4.519 1.00 63.30 H new ATOM 0 HD21 LEU A 6 5.969 -3.676 -5.525 1.00 51.04 H new ATOM 0 HD22 LEU A 6 6.645 -4.924 -6.599 1.00 51.04 H new ATOM 0 HD23 LEU A 6 4.914 -4.522 -6.681 1.00 51.04 H new ATOM 119 N ALA A 7 3.612 -9.567 -6.830 1.00 31.01 N ATOM 120 CA ALA A 7 3.589 -10.690 -7.758 1.00 62.53 C ATOM 121 C ALA A 7 2.447 -10.553 -8.759 1.00 12.21 C ATOM 122 O ALA A 7 2.539 -11.031 -9.889 1.00 75.24 O ATOM 123 CB ALA A 7 3.471 -12.002 -6.997 1.00 21.34 C ATOM 0 H ALA A 7 3.491 -9.826 -5.851 1.00 31.01 H new ATOM 0 HA ALA A 7 4.527 -10.688 -8.314 1.00 62.53 H new ATOM 0 HB1 ALA A 7 3.455 -12.832 -7.703 1.00 21.34 H new ATOM 0 HB2 ALA A 7 4.324 -12.112 -6.327 1.00 21.34 H new ATOM 0 HB3 ALA A 7 2.550 -12.003 -6.415 1.00 21.34 H new ATOM 129 N TRP A 8 1.372 -9.898 -8.336 1.00 10.44 N ATOM 130 CA TRP A 8 0.211 -9.698 -9.196 1.00 31.15 C ATOM 131 C TRP A 8 0.566 -8.830 -10.398 1.00 24.33 C ATOM 132 O TRP A 8 0.080 -9.058 -11.506 1.00 24.24 O ATOM 133 CB TRP A 8 -0.930 -9.054 -8.406 1.00 22.23 C ATOM 134 CG TRP A 8 -1.756 -10.044 -7.642 1.00 31.22 C ATOM 135 CD1 TRP A 8 -1.301 -11.124 -6.941 1.00 22.22 C ATOM 136 CD2 TRP A 8 -3.181 -10.046 -7.504 1.00 52.31 C ATOM 137 NE1 TRP A 8 -2.357 -11.797 -6.376 1.00 31.14 N ATOM 138 CE2 TRP A 8 -3.521 -11.155 -6.705 1.00 74.25 C ATOM 139 CE3 TRP A 8 -4.203 -9.217 -7.976 1.00 22.03 C ATOM 140 CZ2 TRP A 8 -4.839 -11.455 -6.371 1.00 72.21 C ATOM 141 CZ3 TRP A 8 -5.510 -9.516 -7.643 1.00 72.42 C ATOM 142 CH2 TRP A 8 -5.819 -10.627 -6.847 1.00 12.04 C ATOM 0 H TRP A 8 1.280 -9.496 -7.403 1.00 10.44 H new ATOM 0 HA TRP A 8 -0.113 -10.673 -9.559 1.00 31.15 H new ATOM 0 HB2 TRP A 8 -0.515 -8.325 -7.711 1.00 22.23 H new ATOM 0 HB3 TRP A 8 -1.575 -8.507 -9.094 1.00 22.23 H new ATOM 0 HD1 TRP A 8 -0.263 -11.407 -6.845 1.00 22.22 H new ATOM 0 HE1 TRP A 8 -2.286 -12.639 -5.804 1.00 31.14 H new ATOM 0 HE3 TRP A 8 -3.975 -8.358 -8.590 1.00 22.03 H new ATOM 0 HZ2 TRP A 8 -5.079 -12.311 -5.758 1.00 72.21 H new ATOM 0 HZ3 TRP A 8 -6.307 -8.882 -8.002 1.00 72.42 H new ATOM 0 HH2 TRP A 8 -6.851 -10.834 -6.604 1.00 12.04 H new ATOM 153 N VAL A 9 1.418 -7.834 -10.172 1.00 75.43 N ATOM 154 CA VAL A 9 1.839 -6.933 -11.238 1.00 61.11 C ATOM 155 C VAL A 9 2.694 -7.663 -12.269 1.00 15.53 C ATOM 156 O VAL A 9 2.718 -7.294 -13.443 1.00 11.50 O ATOM 157 CB VAL A 9 2.635 -5.738 -10.681 1.00 22.25 C ATOM 158 CG1 VAL A 9 3.075 -4.817 -11.808 1.00 12.41 C ATOM 159 CG2 VAL A 9 1.808 -4.980 -9.653 1.00 61.40 C ATOM 0 H VAL A 9 1.829 -7.631 -9.261 1.00 75.43 H new ATOM 0 HA VAL A 9 0.932 -6.564 -11.717 1.00 61.11 H new ATOM 0 HB VAL A 9 3.529 -6.118 -10.186 1.00 22.25 H new ATOM 0 HG11 VAL A 9 3.636 -3.979 -11.395 1.00 12.41 H new ATOM 0 HG12 VAL A 9 3.707 -5.369 -12.503 1.00 12.41 H new ATOM 0 HG13 VAL A 9 2.198 -4.442 -12.335 1.00 12.41 H new ATOM 0 HG21 VAL A 9 2.386 -4.139 -9.270 1.00 61.40 H new ATOM 0 HG22 VAL A 9 0.896 -4.610 -10.121 1.00 61.40 H new ATOM 0 HG23 VAL A 9 1.549 -5.647 -8.831 1.00 61.40 H new ATOM 169 N ASP A 10 3.393 -8.700 -11.822 1.00 11.33 N ATOM 170 CA ASP A 10 4.248 -9.483 -12.706 1.00 23.15 C ATOM 171 C ASP A 10 5.413 -8.643 -13.220 1.00 53.32 C ATOM 172 O ASP A 10 5.501 -8.319 -14.405 1.00 32.02 O ATOM 173 CB ASP A 10 3.438 -10.029 -13.882 1.00 60.22 C ATOM 174 CG ASP A 10 4.015 -11.318 -14.434 1.00 42.11 C ATOM 175 OD1 ASP A 10 5.001 -11.822 -13.856 1.00 71.42 O ATOM 176 OD2 ASP A 10 3.481 -11.822 -15.443 1.00 73.54 O ATOM 0 H ASP A 10 3.384 -9.018 -10.853 1.00 11.33 H new ATOM 0 HA ASP A 10 4.651 -10.319 -12.134 1.00 23.15 H new ATOM 0 HB2 ASP A 10 2.410 -10.202 -13.562 1.00 60.22 H new ATOM 0 HB3 ASP A 10 3.404 -9.281 -14.674 1.00 60.22 H new ATOM 181 N PRO A 11 6.328 -8.279 -12.310 1.00 2.12 N ATOM 182 CA PRO A 11 7.503 -7.471 -12.648 1.00 44.23 C ATOM 183 C PRO A 11 8.510 -8.239 -13.498 1.00 22.15 C ATOM 184 O PRO A 11 9.184 -7.663 -14.351 1.00 60.11 O ATOM 185 CB PRO A 11 8.105 -7.131 -11.283 1.00 2.45 C ATOM 186 CG PRO A 11 7.648 -8.227 -10.383 1.00 52.24 C ATOM 187 CD PRO A 11 6.287 -8.629 -10.880 1.00 73.11 C ATOM 0 HA PRO A 11 7.238 -6.596 -13.242 1.00 44.23 H new ATOM 0 HB2 PRO A 11 9.193 -7.086 -11.331 1.00 2.45 H new ATOM 0 HB3 PRO A 11 7.761 -6.159 -10.930 1.00 2.45 H new ATOM 0 HG2 PRO A 11 8.339 -9.070 -10.412 1.00 52.24 H new ATOM 0 HG3 PRO A 11 7.601 -7.888 -9.348 1.00 52.24 H new ATOM 0 HD2 PRO A 11 6.104 -9.693 -10.732 1.00 73.11 H new ATOM 0 HD3 PRO A 11 5.494 -8.093 -10.358 1.00 73.11 H new ATOM 195 N ALA A 12 8.607 -9.543 -13.258 1.00 12.21 N ATOM 196 CA ALA A 12 9.530 -10.390 -14.003 1.00 34.11 C ATOM 197 C ALA A 12 9.220 -10.359 -15.496 1.00 31.43 C ATOM 198 O ALA A 12 10.117 -10.195 -16.323 1.00 23.25 O ATOM 199 CB ALA A 12 9.475 -11.818 -13.480 1.00 14.23 C ATOM 0 H ALA A 12 8.058 -10.035 -12.554 1.00 12.21 H new ATOM 0 HA ALA A 12 10.538 -10.001 -13.860 1.00 34.11 H new ATOM 0 HB1 ALA A 12 10.169 -12.440 -14.045 1.00 14.23 H new ATOM 0 HB2 ALA A 12 9.753 -11.830 -12.426 1.00 14.23 H new ATOM 0 HB3 ALA A 12 8.464 -12.208 -13.593 1.00 14.23 H new ATOM 205 N TYR A 13 7.945 -10.519 -15.834 1.00 23.11 N ATOM 206 CA TYR A 13 7.518 -10.513 -17.228 1.00 11.21 C ATOM 207 C TYR A 13 8.043 -9.277 -17.953 1.00 72.41 C ATOM 208 O TYR A 13 8.852 -9.383 -18.874 1.00 52.33 O ATOM 209 CB TYR A 13 5.992 -10.559 -17.315 1.00 75.25 C ATOM 210 CG TYR A 13 5.477 -11.201 -18.584 1.00 20.30 C ATOM 211 CD1 TYR A 13 5.840 -10.709 -19.832 1.00 10.24 C ATOM 212 CD2 TYR A 13 4.627 -12.299 -18.535 1.00 63.42 C ATOM 213 CE1 TYR A 13 5.372 -11.292 -20.993 1.00 51.34 C ATOM 214 CE2 TYR A 13 4.156 -12.890 -19.692 1.00 14.53 C ATOM 215 CZ TYR A 13 4.530 -12.382 -20.918 1.00 44.02 C ATOM 216 OH TYR A 13 4.062 -12.966 -22.073 1.00 35.15 O ATOM 0 H TYR A 13 7.190 -10.654 -15.162 1.00 23.11 H new ATOM 0 HA TYR A 13 7.930 -11.398 -17.712 1.00 11.21 H new ATOM 0 HB2 TYR A 13 5.604 -11.108 -16.457 1.00 75.25 H new ATOM 0 HB3 TYR A 13 5.602 -9.544 -17.247 1.00 75.25 H new ATOM 0 HD1 TYR A 13 6.499 -9.856 -19.895 1.00 10.24 H new ATOM 0 HD2 TYR A 13 4.329 -12.697 -17.576 1.00 63.42 H new ATOM 0 HE1 TYR A 13 5.664 -10.897 -21.955 1.00 51.34 H new ATOM 0 HE2 TYR A 13 3.499 -13.745 -19.636 1.00 14.53 H new ATOM 0 HH TYR A 13 3.482 -13.722 -21.845 1.00 35.15 H new ATOM 226 N GLU A 14 7.576 -8.107 -17.529 1.00 30.21 N ATOM 227 CA GLU A 14 7.998 -6.851 -18.138 1.00 31.24 C ATOM 228 C GLU A 14 9.514 -6.692 -18.062 1.00 13.01 C ATOM 229 O GLU A 14 10.133 -6.110 -18.953 1.00 23.43 O ATOM 230 CB GLU A 14 7.315 -5.669 -17.447 1.00 32.13 C ATOM 231 CG GLU A 14 7.554 -4.338 -18.139 1.00 65.02 C ATOM 232 CD GLU A 14 7.209 -3.152 -17.259 1.00 63.23 C ATOM 233 OE1 GLU A 14 6.172 -3.210 -16.567 1.00 33.55 O ATOM 234 OE2 GLU A 14 7.976 -2.167 -17.263 1.00 52.55 O ATOM 0 H GLU A 14 6.906 -8.003 -16.767 1.00 30.21 H new ATOM 0 HA GLU A 14 7.704 -6.869 -19.187 1.00 31.24 H new ATOM 0 HB2 GLU A 14 6.242 -5.857 -17.400 1.00 32.13 H new ATOM 0 HB3 GLU A 14 7.672 -5.604 -16.419 1.00 32.13 H new ATOM 0 HG2 GLU A 14 8.600 -4.271 -18.438 1.00 65.02 H new ATOM 0 HG3 GLU A 14 6.958 -4.295 -19.051 1.00 65.02 H new ATOM 241 N PHE A 15 10.105 -7.212 -16.991 1.00 75.54 N ATOM 242 CA PHE A 15 11.547 -7.127 -16.797 1.00 63.43 C ATOM 243 C PHE A 15 12.289 -7.900 -17.884 1.00 32.40 C ATOM 244 O PHE A 15 13.352 -7.481 -18.343 1.00 31.42 O ATOM 245 CB PHE A 15 11.931 -7.669 -15.419 1.00 14.15 C ATOM 246 CG PHE A 15 13.397 -7.553 -15.115 1.00 41.14 C ATOM 247 CD1 PHE A 15 14.274 -8.564 -15.474 1.00 21.25 C ATOM 248 CD2 PHE A 15 13.899 -6.433 -14.473 1.00 52.50 C ATOM 249 CE1 PHE A 15 15.624 -8.460 -15.195 1.00 72.20 C ATOM 250 CE2 PHE A 15 15.248 -6.323 -14.192 1.00 52.22 C ATOM 251 CZ PHE A 15 16.111 -7.338 -14.555 1.00 4.42 C ATOM 0 H PHE A 15 9.607 -7.697 -16.244 1.00 75.54 H new ATOM 0 HA PHE A 15 11.835 -6.078 -16.860 1.00 63.43 H new ATOM 0 HB2 PHE A 15 11.367 -7.132 -14.656 1.00 14.15 H new ATOM 0 HB3 PHE A 15 11.637 -8.717 -15.355 1.00 14.15 H new ATOM 0 HD1 PHE A 15 13.899 -9.443 -15.977 1.00 21.25 H new ATOM 0 HD2 PHE A 15 13.228 -5.636 -14.188 1.00 52.50 H new ATOM 0 HE1 PHE A 15 16.297 -9.256 -15.478 1.00 72.20 H new ATOM 0 HE2 PHE A 15 15.626 -5.445 -13.690 1.00 52.22 H new ATOM 0 HZ PHE A 15 17.166 -7.254 -14.338 1.00 4.42 H new ATOM 261 N ILE A 16 11.720 -9.031 -18.290 1.00 5.21 N ATOM 262 CA ILE A 16 12.327 -9.862 -19.322 1.00 74.23 C ATOM 263 C ILE A 16 12.254 -9.185 -20.687 1.00 0.24 C ATOM 264 O ILE A 16 13.198 -9.248 -21.475 1.00 34.21 O ATOM 265 CB ILE A 16 11.644 -11.240 -19.409 1.00 14.22 C ATOM 266 CG1 ILE A 16 11.735 -11.964 -18.064 1.00 14.32 C ATOM 267 CG2 ILE A 16 12.276 -12.077 -20.511 1.00 4.53 C ATOM 268 CD1 ILE A 16 10.477 -12.721 -17.699 1.00 61.42 C ATOM 0 H ILE A 16 10.841 -9.392 -17.920 1.00 5.21 H new ATOM 0 HA ILE A 16 13.371 -9.999 -19.042 1.00 74.23 H new ATOM 0 HB ILE A 16 10.591 -11.092 -19.651 1.00 14.22 H new ATOM 0 HG12 ILE A 16 12.573 -12.660 -18.091 1.00 14.32 H new ATOM 0 HG13 ILE A 16 11.951 -11.236 -17.282 1.00 14.32 H new ATOM 0 HG21 ILE A 16 11.782 -13.048 -20.559 1.00 4.53 H new ATOM 0 HG22 ILE A 16 12.164 -11.565 -21.467 1.00 4.53 H new ATOM 0 HG23 ILE A 16 13.335 -12.219 -20.298 1.00 4.53 H new ATOM 0 HD11 ILE A 16 10.613 -13.209 -16.734 1.00 61.42 H new ATOM 0 HD12 ILE A 16 9.639 -12.027 -17.639 1.00 61.42 H new ATOM 0 HD13 ILE A 16 10.271 -13.473 -18.461 1.00 61.42 H new ATOM 280 N LYS A 17 11.128 -8.534 -20.959 1.00 32.32 N ATOM 281 CA LYS A 17 10.931 -7.841 -22.226 1.00 63.24 C ATOM 282 C LYS A 17 11.707 -6.528 -22.254 1.00 54.23 C ATOM 283 O LYS A 17 12.111 -6.057 -23.316 1.00 63.25 O ATOM 284 CB LYS A 17 9.443 -7.572 -22.459 1.00 32.03 C ATOM 285 CG LYS A 17 8.542 -8.712 -22.015 1.00 2.31 C ATOM 286 CD LYS A 17 7.237 -8.727 -22.793 1.00 44.04 C ATOM 287 CE LYS A 17 7.270 -9.754 -23.915 1.00 55.21 C ATOM 288 NZ LYS A 17 7.627 -9.136 -25.222 1.00 74.33 N ATOM 0 H LYS A 17 10.337 -8.472 -20.318 1.00 32.32 H new ATOM 0 HA LYS A 17 11.306 -8.482 -23.024 1.00 63.24 H new ATOM 0 HB2 LYS A 17 9.158 -6.666 -21.925 1.00 32.03 H new ATOM 0 HB3 LYS A 17 9.278 -7.382 -23.520 1.00 32.03 H new ATOM 0 HG2 LYS A 17 9.060 -9.661 -22.153 1.00 2.31 H new ATOM 0 HG3 LYS A 17 8.331 -8.616 -20.950 1.00 2.31 H new ATOM 0 HD2 LYS A 17 6.412 -8.951 -22.117 1.00 44.04 H new ATOM 0 HD3 LYS A 17 7.049 -7.737 -23.209 1.00 44.04 H new ATOM 0 HE2 LYS A 17 7.992 -10.534 -23.673 1.00 55.21 H new ATOM 0 HE3 LYS A 17 6.296 -10.236 -23.995 1.00 55.21 H new ATOM 0 HZ1 LYS A 17 7.639 -9.868 -25.961 1.00 74.33 H new ATOM 0 HZ2 LYS A 17 6.924 -8.409 -25.466 1.00 74.33 H new ATOM 0 HZ3 LYS A 17 8.568 -8.698 -25.154 1.00 74.33 H new ATOM 302 N GLY A 18 11.911 -5.941 -21.079 1.00 21.23 N ATOM 303 CA GLY A 18 12.639 -4.689 -20.991 1.00 54.43 C ATOM 304 C GLY A 18 14.028 -4.782 -21.589 1.00 62.24 C ATOM 305 O GLY A 18 14.589 -3.781 -22.036 1.00 54.00 O ATOM 0 H GLY A 18 11.585 -6.310 -20.186 1.00 21.23 H new ATOM 0 HA2 GLY A 18 12.077 -3.909 -21.505 1.00 54.43 H new ATOM 0 HA3 GLY A 18 12.716 -4.390 -19.946 1.00 54.43 H new ATOM 309 N PHE A 19 14.587 -5.988 -21.597 1.00 43.34 N ATOM 310 CA PHE A 19 15.922 -6.208 -22.143 1.00 33.13 C ATOM 311 C PHE A 19 16.264 -7.695 -22.159 1.00 51.00 C ATOM 312 O PHE A 19 15.709 -8.479 -21.391 1.00 74.51 O ATOM 313 CB PHE A 19 16.963 -5.442 -21.324 1.00 22.41 C ATOM 314 CG PHE A 19 17.229 -6.048 -19.975 1.00 71.14 C ATOM 315 CD1 PHE A 19 16.483 -5.667 -18.871 1.00 63.43 C ATOM 316 CD2 PHE A 19 18.224 -6.998 -19.812 1.00 32.41 C ATOM 317 CE1 PHE A 19 16.726 -6.223 -17.629 1.00 44.42 C ATOM 318 CE2 PHE A 19 18.471 -7.557 -18.572 1.00 61.52 C ATOM 319 CZ PHE A 19 17.721 -7.170 -17.480 1.00 14.43 C ATOM 0 H PHE A 19 14.137 -6.827 -21.232 1.00 43.34 H new ATOM 0 HA PHE A 19 15.934 -5.839 -23.169 1.00 33.13 H new ATOM 0 HB2 PHE A 19 17.896 -5.401 -21.885 1.00 22.41 H new ATOM 0 HB3 PHE A 19 16.625 -4.414 -21.192 1.00 22.41 H new ATOM 0 HD1 PHE A 19 15.703 -4.928 -18.982 1.00 63.43 H new ATOM 0 HD2 PHE A 19 18.813 -7.305 -20.663 1.00 32.41 H new ATOM 0 HE1 PHE A 19 16.139 -5.917 -16.776 1.00 44.42 H new ATOM 0 HE2 PHE A 19 19.250 -8.296 -18.458 1.00 61.52 H new ATOM 0 HZ PHE A 19 17.912 -7.607 -16.511 1.00 14.43 H new ATOM 329 N GLY A 20 17.183 -8.075 -23.042 1.00 31.24 N ATOM 330 CA GLY A 20 17.583 -9.466 -23.143 1.00 24.31 C ATOM 331 C GLY A 20 16.903 -10.183 -24.292 1.00 62.32 C ATOM 332 O GLY A 20 16.323 -11.254 -24.110 1.00 65.22 O ATOM 0 H GLY A 20 17.657 -7.444 -23.689 1.00 31.24 H new ATOM 0 HA2 GLY A 20 18.664 -9.521 -23.273 1.00 24.31 H new ATOM 0 HA3 GLY A 20 17.348 -9.977 -22.210 1.00 24.31 H new ATOM 336 N LYS A 21 16.972 -9.592 -25.480 1.00 14.31 N ATOM 337 CA LYS A 21 16.357 -10.180 -26.665 1.00 4.55 C ATOM 338 C LYS A 21 16.649 -9.338 -27.903 1.00 30.11 C ATOM 339 O LYS A 21 16.828 -9.869 -28.998 1.00 70.21 O ATOM 340 CB LYS A 21 14.845 -10.311 -26.468 1.00 43.34 C ATOM 341 CG LYS A 21 14.163 -9.002 -26.111 1.00 55.23 C ATOM 342 CD LYS A 21 13.685 -8.265 -27.352 1.00 32.54 C ATOM 343 CE LYS A 21 12.168 -8.155 -27.385 1.00 22.12 C ATOM 344 NZ LYS A 21 11.667 -7.117 -26.442 1.00 51.12 N ATOM 0 H LYS A 21 17.448 -8.706 -25.648 1.00 14.31 H new ATOM 0 HA LYS A 21 16.785 -11.172 -26.813 1.00 4.55 H new ATOM 0 HB2 LYS A 21 14.401 -10.705 -27.382 1.00 43.34 H new ATOM 0 HB3 LYS A 21 14.651 -11.039 -25.680 1.00 43.34 H new ATOM 0 HG2 LYS A 21 13.315 -9.200 -25.455 1.00 55.23 H new ATOM 0 HG3 LYS A 21 14.855 -8.370 -25.555 1.00 55.23 H new ATOM 0 HD2 LYS A 21 14.124 -7.268 -27.376 1.00 32.54 H new ATOM 0 HD3 LYS A 21 14.033 -8.787 -28.243 1.00 32.54 H new ATOM 0 HE2 LYS A 21 11.843 -7.913 -28.397 1.00 22.12 H new ATOM 0 HE3 LYS A 21 11.728 -9.119 -27.131 1.00 22.12 H new ATOM 0 HZ1 LYS A 21 10.629 -7.073 -26.494 1.00 51.12 H new ATOM 0 HZ2 LYS A 21 11.955 -7.360 -25.473 1.00 51.12 H new ATOM 0 HZ3 LYS A 21 12.066 -6.192 -26.700 1.00 51.12 H new ATOM 358 N GLY A 22 16.697 -8.022 -27.721 1.00 14.20 N ATOM 359 CA GLY A 22 16.968 -7.129 -28.832 1.00 43.31 C ATOM 360 C GLY A 22 17.068 -5.679 -28.400 1.00 23.21 C ATOM 361 O GLY A 22 17.840 -4.907 -28.968 1.00 54.12 O ATOM 0 H GLY A 22 16.553 -7.558 -26.824 1.00 14.20 H new ATOM 0 HA2 GLY A 22 17.899 -7.426 -29.314 1.00 43.31 H new ATOM 0 HA3 GLY A 22 16.178 -7.230 -29.576 1.00 43.31 H new ATOM 365 N ALA A 23 16.285 -5.309 -27.392 1.00 40.53 N ATOM 366 CA ALA A 23 16.289 -3.942 -26.884 1.00 60.33 C ATOM 367 C ALA A 23 17.696 -3.509 -26.485 1.00 74.04 C ATOM 368 O ALA A 23 18.258 -2.582 -27.069 1.00 3.14 O ATOM 369 CB ALA A 23 15.340 -3.816 -25.701 1.00 64.34 C ATOM 0 H ALA A 23 15.640 -5.936 -26.911 1.00 40.53 H new ATOM 0 HA ALA A 23 15.947 -3.283 -27.682 1.00 60.33 H new ATOM 0 HB1 ALA A 23 15.353 -2.791 -25.332 1.00 64.34 H new ATOM 0 HB2 ALA A 23 14.329 -4.076 -26.016 1.00 64.34 H new ATOM 0 HB3 ALA A 23 15.657 -4.492 -24.907 1.00 64.34 H new ATOM 375 N ILE A 24 18.257 -4.185 -25.489 1.00 4.43 N ATOM 376 CA ILE A 24 19.598 -3.869 -25.013 1.00 4.12 C ATOM 377 C ILE A 24 20.659 -4.355 -25.995 1.00 52.21 C ATOM 378 O ILE A 24 21.731 -3.761 -26.113 1.00 53.43 O ATOM 379 CB ILE A 24 19.868 -4.496 -23.632 1.00 40.31 C ATOM 380 CG1 ILE A 24 21.177 -3.958 -23.051 1.00 22.24 C ATOM 381 CG2 ILE A 24 19.913 -6.013 -23.739 1.00 11.32 C ATOM 382 CD1 ILE A 24 21.160 -2.466 -22.800 1.00 73.43 C ATOM 0 H ILE A 24 17.804 -4.955 -24.996 1.00 4.43 H new ATOM 0 HA ILE A 24 19.655 -2.784 -24.928 1.00 4.12 H new ATOM 0 HB ILE A 24 19.055 -4.223 -22.960 1.00 40.31 H new ATOM 0 HG12 ILE A 24 21.388 -4.473 -22.114 1.00 22.24 H new ATOM 0 HG13 ILE A 24 21.992 -4.194 -23.735 1.00 22.24 H new ATOM 0 HG21 ILE A 24 20.105 -6.442 -22.755 1.00 11.32 H new ATOM 0 HG22 ILE A 24 18.958 -6.380 -24.115 1.00 11.32 H new ATOM 0 HG23 ILE A 24 20.709 -6.306 -24.424 1.00 11.32 H new ATOM 0 HD11 ILE A 24 22.120 -2.155 -22.388 1.00 73.43 H new ATOM 0 HD12 ILE A 24 20.981 -1.941 -23.738 1.00 73.43 H new ATOM 0 HD13 ILE A 24 20.367 -2.225 -22.092 1.00 73.43 H new ATOM 394 N LYS A 25 20.352 -5.439 -26.700 1.00 1.50 N ATOM 395 CA LYS A 25 21.276 -6.004 -27.675 1.00 64.25 C ATOM 396 C LYS A 25 21.574 -5.003 -28.787 1.00 63.11 C ATOM 397 O LYS A 25 22.734 -4.733 -29.096 1.00 62.14 O ATOM 398 CB LYS A 25 20.697 -7.288 -28.273 1.00 73.30 C ATOM 399 CG LYS A 25 21.381 -8.552 -27.780 1.00 40.50 C ATOM 400 CD LYS A 25 21.473 -9.600 -28.876 1.00 32.00 C ATOM 401 CE LYS A 25 20.094 -10.044 -29.340 1.00 12.33 C ATOM 402 NZ LYS A 25 20.083 -11.472 -29.761 1.00 21.15 N ATOM 0 H LYS A 25 19.470 -5.944 -26.614 1.00 1.50 H new ATOM 0 HA LYS A 25 22.208 -6.238 -27.161 1.00 64.25 H new ATOM 0 HB2 LYS A 25 19.635 -7.343 -28.034 1.00 73.30 H new ATOM 0 HB3 LYS A 25 20.778 -7.241 -29.359 1.00 73.30 H new ATOM 0 HG2 LYS A 25 22.382 -8.309 -27.422 1.00 40.50 H new ATOM 0 HG3 LYS A 25 20.829 -8.958 -26.932 1.00 40.50 H new ATOM 0 HD2 LYS A 25 22.030 -9.196 -29.721 1.00 32.00 H new ATOM 0 HD3 LYS A 25 22.030 -10.463 -28.510 1.00 32.00 H new ATOM 0 HE2 LYS A 25 19.375 -9.898 -28.534 1.00 12.33 H new ATOM 0 HE3 LYS A 25 19.772 -9.418 -30.172 1.00 12.33 H new ATOM 0 HZ1 LYS A 25 19.126 -11.735 -30.070 1.00 21.15 H new ATOM 0 HZ2 LYS A 25 20.750 -11.607 -30.547 1.00 21.15 H new ATOM 0 HZ3 LYS A 25 20.366 -12.072 -28.960 1.00 21.15 H new ATOM 416 N GLU A 26 20.519 -4.455 -29.382 1.00 64.34 N ATOM 417 CA GLU A 26 20.670 -3.483 -30.459 1.00 72.40 C ATOM 418 C GLU A 26 21.101 -2.126 -29.911 1.00 20.35 C ATOM 419 O GLU A 26 21.392 -1.202 -30.669 1.00 30.14 O ATOM 420 CB GLU A 26 19.358 -3.339 -31.233 1.00 72.41 C ATOM 421 CG GLU A 26 18.314 -2.503 -30.512 1.00 23.10 C ATOM 422 CD GLU A 26 18.229 -1.087 -31.048 1.00 23.11 C ATOM 423 OE1 GLU A 26 18.121 -0.924 -32.281 1.00 63.31 O ATOM 424 OE2 GLU A 26 18.271 -0.142 -30.233 1.00 13.41 O ATOM 0 H GLU A 26 19.552 -4.667 -29.137 1.00 64.34 H new ATOM 0 HA GLU A 26 21.445 -3.845 -31.135 1.00 72.40 H new ATOM 0 HB2 GLU A 26 19.566 -2.888 -32.203 1.00 72.41 H new ATOM 0 HB3 GLU A 26 18.948 -4.331 -31.424 1.00 72.41 H new ATOM 0 HG2 GLU A 26 17.340 -2.983 -30.608 1.00 23.10 H new ATOM 0 HG3 GLU A 26 18.550 -2.471 -29.448 1.00 23.10 H new ATOM 431 N GLY A 27 21.139 -2.015 -28.586 1.00 51.51 N ATOM 432 CA GLY A 27 21.534 -0.768 -27.958 1.00 5.42 C ATOM 433 C GLY A 27 23.022 -0.710 -27.670 1.00 15.24 C ATOM 434 O GLY A 27 23.666 0.312 -27.900 1.00 52.42 O ATOM 0 H GLY A 27 20.903 -2.766 -27.937 1.00 51.51 H new ATOM 0 HA2 GLY A 27 21.260 0.064 -28.606 1.00 5.42 H new ATOM 0 HA3 GLY A 27 20.982 -0.643 -27.027 1.00 5.42 H new ATOM 438 N ASN A 28 23.568 -1.810 -27.162 1.00 75.21 N ATOM 439 CA ASN A 28 24.988 -1.880 -26.840 1.00 1.34 C ATOM 440 C ASN A 28 25.820 -2.122 -28.095 1.00 71.24 C ATOM 441 O ASN A 28 26.931 -1.609 -28.226 1.00 43.15 O ATOM 442 CB ASN A 28 25.247 -2.991 -25.820 1.00 42.03 C ATOM 443 CG ASN A 28 25.380 -4.354 -26.472 1.00 45.21 C ATOM 444 OD1 ASN A 28 26.487 -4.860 -26.657 1.00 63.12 O ATOM 445 ND2 ASN A 28 24.249 -4.954 -26.824 1.00 25.33 N ATOM 0 H ASN A 28 23.048 -2.665 -26.965 1.00 75.21 H new ATOM 0 HA ASN A 28 25.284 -0.924 -26.409 1.00 1.34 H new ATOM 0 HB2 ASN A 28 26.158 -2.766 -25.265 1.00 42.03 H new ATOM 0 HB3 ASN A 28 24.431 -3.015 -25.097 1.00 42.03 H new ATOM 0 HD21 ASN A 28 24.275 -5.872 -27.267 1.00 25.33 H new ATOM 0 HD22 ASN A 28 23.354 -4.497 -26.651 1.00 25.33 H new ATOM 452 N LYS A 29 25.274 -2.908 -29.018 1.00 13.45 N ATOM 453 CA LYS A 29 25.963 -3.218 -30.265 1.00 13.24 C ATOM 454 C LYS A 29 25.878 -2.047 -31.239 1.00 31.13 C ATOM 455 O LYS A 29 26.713 -1.910 -32.133 1.00 52.10 O ATOM 456 CB LYS A 29 25.363 -4.472 -30.904 1.00 53.13 C ATOM 457 CG LYS A 29 24.044 -4.221 -31.615 1.00 10.21 C ATOM 458 CD LYS A 29 23.283 -5.514 -31.851 1.00 34.41 C ATOM 459 CE LYS A 29 23.991 -6.401 -32.864 1.00 33.12 C ATOM 460 NZ LYS A 29 24.275 -7.755 -32.313 1.00 10.03 N ATOM 0 H LYS A 29 24.356 -3.342 -28.925 1.00 13.45 H new ATOM 0 HA LYS A 29 27.013 -3.401 -30.036 1.00 13.24 H new ATOM 0 HB2 LYS A 29 26.078 -4.884 -31.617 1.00 53.13 H new ATOM 0 HB3 LYS A 29 25.212 -5.226 -30.132 1.00 53.13 H new ATOM 0 HG2 LYS A 29 23.433 -3.541 -31.021 1.00 10.21 H new ATOM 0 HG3 LYS A 29 24.232 -3.729 -32.569 1.00 10.21 H new ATOM 0 HD2 LYS A 29 23.175 -6.051 -30.909 1.00 34.41 H new ATOM 0 HD3 LYS A 29 22.278 -5.286 -32.205 1.00 34.41 H new ATOM 0 HE2 LYS A 29 23.375 -6.495 -33.758 1.00 33.12 H new ATOM 0 HE3 LYS A 29 24.925 -5.930 -33.169 1.00 33.12 H new ATOM 0 HZ1 LYS A 29 24.758 -8.329 -33.034 1.00 10.03 H new ATOM 0 HZ2 LYS A 29 24.884 -7.668 -31.475 1.00 10.03 H new ATOM 0 HZ3 LYS A 29 23.382 -8.215 -32.045 1.00 10.03 H new ATOM 474 N ASP A 30 24.866 -1.206 -31.059 1.00 10.45 N ATOM 475 CA ASP A 30 24.674 -0.045 -31.920 1.00 40.12 C ATOM 476 C ASP A 30 25.911 0.847 -31.914 1.00 3.45 C ATOM 477 O ASP A 30 26.177 1.567 -32.877 1.00 15.14 O ATOM 478 CB ASP A 30 23.451 0.755 -31.469 1.00 73.15 C ATOM 479 CG ASP A 30 22.325 0.713 -32.485 1.00 25.04 C ATOM 480 OD1 ASP A 30 22.166 -0.332 -33.150 1.00 14.43 O ATOM 481 OD2 ASP A 30 21.605 1.725 -32.615 1.00 1.15 O ATOM 0 H ASP A 30 24.166 -1.306 -30.324 1.00 10.45 H new ATOM 0 HA ASP A 30 24.510 -0.401 -32.937 1.00 40.12 H new ATOM 0 HB2 ASP A 30 23.093 0.361 -30.518 1.00 73.15 H new ATOM 0 HB3 ASP A 30 23.742 1.791 -31.296 1.00 73.15 H new ATOM 486 N LYS A 31 26.665 0.796 -30.821 1.00 4.23 N ATOM 487 CA LYS A 31 27.875 1.599 -30.687 1.00 63.01 C ATOM 488 C LYS A 31 29.063 0.908 -31.351 1.00 15.44 C ATOM 489 O LYS A 31 29.938 1.565 -31.915 1.00 72.42 O ATOM 490 CB LYS A 31 28.181 1.855 -29.210 1.00 3.52 C ATOM 491 CG LYS A 31 27.053 2.550 -28.467 1.00 3.23 C ATOM 492 CD LYS A 31 26.752 1.865 -27.144 1.00 51.42 C ATOM 493 CE LYS A 31 27.537 2.490 -26.001 1.00 43.13 C ATOM 494 NZ LYS A 31 27.884 1.489 -24.955 1.00 3.34 N ATOM 0 H LYS A 31 26.459 0.206 -30.014 1.00 4.23 H new ATOM 0 HA LYS A 31 27.705 2.553 -31.187 1.00 63.01 H new ATOM 0 HB2 LYS A 31 28.395 0.904 -28.722 1.00 3.52 H new ATOM 0 HB3 LYS A 31 29.083 2.462 -29.134 1.00 3.52 H new ATOM 0 HG2 LYS A 31 27.322 3.591 -28.286 1.00 3.23 H new ATOM 0 HG3 LYS A 31 26.157 2.556 -29.087 1.00 3.23 H new ATOM 0 HD2 LYS A 31 25.685 1.932 -26.933 1.00 51.42 H new ATOM 0 HD3 LYS A 31 26.996 0.805 -27.218 1.00 51.42 H new ATOM 0 HE2 LYS A 31 28.450 2.940 -26.391 1.00 43.13 H new ATOM 0 HE3 LYS A 31 26.951 3.294 -25.555 1.00 43.13 H new ATOM 0 HZ1 LYS A 31 28.418 1.954 -24.193 1.00 3.34 H new ATOM 0 HZ2 LYS A 31 27.012 1.078 -24.565 1.00 3.34 H new ATOM 0 HZ3 LYS A 31 28.464 0.735 -25.375 1.00 3.34 H new ATOM 508 N TRP A 32 29.085 -0.418 -31.280 1.00 12.53 N ATOM 509 CA TRP A 32 30.165 -1.197 -31.875 1.00 55.53 C ATOM 510 C TRP A 32 30.380 -0.803 -33.332 1.00 43.33 C ATOM 511 O TRP A 32 31.496 -0.879 -33.848 1.00 12.41 O ATOM 512 CB TRP A 32 29.856 -2.691 -31.779 1.00 32.55 C ATOM 513 CG TRP A 32 30.080 -3.257 -30.409 1.00 10.13 C ATOM 514 CD1 TRP A 32 29.627 -2.745 -29.226 1.00 50.35 C ATOM 515 CD2 TRP A 32 30.814 -4.441 -30.080 1.00 61.31 C ATOM 516 NE1 TRP A 32 30.035 -3.540 -28.183 1.00 4.54 N ATOM 517 CE2 TRP A 32 30.764 -4.587 -28.680 1.00 23.31 C ATOM 518 CE3 TRP A 32 31.507 -5.394 -30.832 1.00 53.12 C ATOM 519 CZ2 TRP A 32 31.382 -5.646 -28.020 1.00 31.23 C ATOM 520 CZ3 TRP A 32 32.119 -6.444 -30.175 1.00 64.04 C ATOM 521 CH2 TRP A 32 32.053 -6.564 -28.781 1.00 22.01 C ATOM 0 H TRP A 32 28.368 -0.976 -30.817 1.00 12.53 H new ATOM 0 HA TRP A 32 31.080 -0.986 -31.321 1.00 55.53 H new ATOM 0 HB2 TRP A 32 28.819 -2.860 -32.069 1.00 32.55 H new ATOM 0 HB3 TRP A 32 30.478 -3.230 -32.493 1.00 32.55 H new ATOM 0 HD1 TRP A 32 29.035 -1.847 -29.126 1.00 50.35 H new ATOM 0 HE1 TRP A 32 29.828 -3.377 -27.198 1.00 4.54 H new ATOM 0 HE3 TRP A 32 31.563 -5.311 -31.907 1.00 53.12 H new ATOM 0 HZ2 TRP A 32 31.333 -5.739 -26.945 1.00 31.23 H new ATOM 0 HZ3 TRP A 32 32.658 -7.185 -30.746 1.00 64.04 H new ATOM 0 HH2 TRP A 32 32.541 -7.397 -28.298 1.00 22.01 H new ATOM 532 N LYS A 33 29.307 -0.381 -33.992 1.00 73.41 N ATOM 533 CA LYS A 33 29.378 0.026 -35.390 1.00 44.32 C ATOM 534 C LYS A 33 30.384 1.158 -35.576 1.00 62.10 C ATOM 535 O LYS A 33 31.046 1.249 -36.609 1.00 51.11 O ATOM 536 CB LYS A 33 28.000 0.469 -35.885 1.00 74.11 C ATOM 537 CG LYS A 33 27.972 0.837 -37.358 1.00 55.33 C ATOM 538 CD LYS A 33 27.948 2.344 -37.556 1.00 60.31 C ATOM 539 CE LYS A 33 27.475 2.715 -38.953 1.00 44.03 C ATOM 540 NZ LYS A 33 27.109 4.155 -39.050 1.00 50.14 N ATOM 0 H LYS A 33 28.376 -0.312 -33.580 1.00 73.41 H new ATOM 0 HA LYS A 33 29.709 -0.832 -35.976 1.00 44.32 H new ATOM 0 HB2 LYS A 33 27.284 -0.333 -35.706 1.00 74.11 H new ATOM 0 HB3 LYS A 33 27.671 1.327 -35.299 1.00 74.11 H new ATOM 0 HG2 LYS A 33 28.847 0.418 -37.855 1.00 55.33 H new ATOM 0 HG3 LYS A 33 27.094 0.393 -37.828 1.00 55.33 H new ATOM 0 HD2 LYS A 33 27.290 2.799 -36.815 1.00 60.31 H new ATOM 0 HD3 LYS A 33 28.946 2.750 -37.389 1.00 60.31 H new ATOM 0 HE2 LYS A 33 28.261 2.491 -39.674 1.00 44.03 H new ATOM 0 HE3 LYS A 33 26.614 2.103 -39.219 1.00 44.03 H new ATOM 0 HZ1 LYS A 33 26.792 4.368 -40.017 1.00 50.14 H new ATOM 0 HZ2 LYS A 33 26.342 4.364 -38.380 1.00 50.14 H new ATOM 0 HZ3 LYS A 33 27.938 4.740 -38.821 1.00 50.14 H new ATOM 554 N ASN A 34 30.495 2.017 -34.568 1.00 15.10 N ATOM 555 CA ASN A 34 31.421 3.142 -34.621 1.00 12.34 C ATOM 556 C ASN A 34 32.726 2.807 -33.905 1.00 35.25 C ATOM 557 O ASN A 34 33.355 3.676 -33.300 1.00 34.31 O ATOM 558 CB ASN A 34 30.785 4.383 -33.991 1.00 11.21 C ATOM 559 CG ASN A 34 31.214 5.665 -34.678 1.00 62.03 C ATOM 560 OD1 ASN A 34 31.707 6.592 -34.036 1.00 24.03 O ATOM 561 ND2 ASN A 34 31.028 5.723 -35.992 1.00 34.22 N ATOM 0 H ASN A 34 29.955 1.955 -33.705 1.00 15.10 H new ATOM 0 HA ASN A 34 31.644 3.348 -35.668 1.00 12.34 H new ATOM 0 HB2 ASN A 34 29.700 4.295 -34.038 1.00 11.21 H new ATOM 0 HB3 ASN A 34 31.056 4.431 -32.936 1.00 11.21 H new ATOM 0 HD21 ASN A 34 31.298 6.560 -36.509 1.00 34.22 H new ATOM 0 HD22 ASN A 34 30.616 4.930 -36.484 1.00 34.22 H new ATOM 568 N ILE A 35 33.126 1.542 -33.978 1.00 31.11 N ATOM 569 CA ILE A 35 34.356 1.092 -33.338 1.00 42.34 C ATOM 570 C ILE A 35 34.288 1.274 -31.826 1.00 11.51 C ATOM 571 O ILE A 35 33.732 0.439 -31.114 1.00 34.44 O ATOM 572 CB ILE A 35 35.582 1.851 -33.881 1.00 21.53 C ATOM 573 CG1 ILE A 35 35.626 1.767 -35.408 1.00 23.12 C ATOM 574 CG2 ILE A 35 36.861 1.290 -33.277 1.00 2.11 C ATOM 575 CD1 ILE A 35 35.307 3.077 -36.094 1.00 71.51 C ATOM 0 H ILE A 35 32.616 0.811 -34.474 1.00 31.11 H new ATOM 0 HA ILE A 35 34.463 0.032 -33.569 1.00 42.34 H new ATOM 0 HB ILE A 35 35.498 2.900 -33.596 1.00 21.53 H new ATOM 0 HG12 ILE A 35 36.617 1.436 -35.717 1.00 23.12 H new ATOM 0 HG13 ILE A 35 34.918 1.009 -35.743 1.00 23.12 H new ATOM 0 HG21 ILE A 35 37.719 1.836 -33.670 1.00 2.11 H new ATOM 0 HG22 ILE A 35 36.829 1.397 -32.193 1.00 2.11 H new ATOM 0 HG23 ILE A 35 36.953 0.235 -33.535 1.00 2.11 H new ATOM 0 HD11 ILE A 35 35.357 2.943 -37.175 1.00 71.51 H new ATOM 0 HD12 ILE A 35 34.304 3.400 -35.814 1.00 71.51 H new ATOM 0 HD13 ILE A 35 36.030 3.833 -35.788 1.00 71.51 H new TER 587 ILE A 35