HETATM 1 C ACE A 3 2.999 -4.311 0.240 1.00 1.42 C HETATM 2 O ACE A 3 1.825 -4.506 -0.076 1.00 25.23 O HETATM 3 CH3 ACE A 3 4.015 -5.436 0.181 1.00 11.32 C HETATM 4 H1 ACE A 3 4.701 -5.308 -0.675 1.00 11.05 H HETATM 5 H2 ACE A 3 4.619 -5.497 1.105 1.00 31.00 H HETATM 6 H3 ACE A 3 3.511 -6.411 0.063 1.00 0.00 H HETATM 7 N NLE A 4 3.487 -3.135 0.631 1.00 24.32 N HETATM 8 CA NLE A 4 2.638 -1.935 0.872 1.00 22.54 C HETATM 9 C NLE A 4 3.290 -0.651 0.273 1.00 51.12 C HETATM 10 O NLE A 4 4.482 -0.379 0.446 1.00 4.44 O HETATM 11 CB NLE A 4 2.428 -1.798 2.401 1.00 51.41 C HETATM 12 CG NLE A 4 1.362 -0.773 2.849 1.00 53.53 C HETATM 13 CD NLE A 4 1.129 -0.740 4.372 1.00 13.25 C HETATM 14 CE NLE A 4 2.267 -0.079 5.165 1.00 21.12 C HETATM 15 H NLE A 4 4.496 -3.129 0.806 1.00 73.41 H HETATM 16 HA NLE A 4 1.641 -2.087 0.408 1.00 13.34 H HETATM 17 HB2 NLE A 4 3.396 -1.560 2.878 1.00 12.25 H HETATM 18 HB3 NLE A 4 2.131 -2.781 2.800 1.00 64.43 H HETATM 19 HG2 NLE A 4 0.405 -1.020 2.352 1.00 24.40 H HETATM 20 HG3 NLE A 4 1.619 0.244 2.490 1.00 61.35 H HETATM 21 HD2 NLE A 4 0.940 -1.761 4.755 1.00 34.12 H HETATM 22 HD3 NLE A 4 0.195 -0.185 4.582 1.00 2.42 H HETATM 23 HE1 NLE A 4 2.031 -0.034 6.244 1.00 35.54 H HETATM 24 HE2 NLE A 4 3.219 -0.632 5.067 1.00 13.20 H HETATM 25 HE3 NLE A 4 2.451 0.959 4.830 1.00 14.24 H ATOM 26 N ASP A 5 2.457 0.161 -0.384 1.00 42.23 N ATOM 27 CA ASP A 5 2.856 1.466 -0.962 1.00 14.33 C ATOM 28 C ASP A 5 2.119 2.632 -0.204 1.00 70.04 C ATOM 29 O ASP A 5 0.887 2.712 -0.304 1.00 71.01 O ATOM 30 CB ASP A 5 2.486 1.490 -2.464 1.00 73.01 C ATOM 31 CG ASP A 5 3.321 0.608 -3.400 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.391 1.025 -3.843 1.00 41.31 O ATOM 33 H ASP A 5 1.492 -0.186 -0.465 1.00 62.10 H ATOM 34 HA ASP A 5 3.953 1.607 -0.913 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.407 1.292 -2.586 1.00 0.00 H ATOM 36 HB3 ASP A 5 2.618 2.525 -2.817 1.00 72.20 H ATOM 37 N PRO A 6 2.801 3.572 0.514 1.00 64.04 N ATOM 38 CA PRO A 6 2.157 4.793 1.085 1.00 44.43 C ATOM 39 C PRO A 6 1.472 5.770 0.054 1.00 31.44 C ATOM 40 O PRO A 6 2.017 5.927 -1.046 1.00 1.02 O ATOM 41 CB PRO A 6 3.334 5.471 1.819 1.00 53.11 C ATOM 42 CG PRO A 6 4.344 4.355 2.093 1.00 4.15 C ATOM 43 CD PRO A 6 4.224 3.446 0.872 1.00 41.55 C ATOM 44 HA PRO A 6 1.421 4.446 1.834 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.813 6.242 1.182 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.013 5.985 2.744 1.00 62.32 H ATOM 47 HG2 PRO A 6 5.373 4.734 2.240 1.00 0.00 H ATOM 48 HG3 PRO A 6 4.067 3.801 3.011 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.852 3.793 0.025 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.518 2.405 1.112 1.00 72.34 H ATOM 51 N PRO A 7 0.312 6.443 0.328 1.00 22.14 N ATOM 52 CA PRO A 7 -0.387 6.437 1.651 1.00 10.30 C ATOM 53 C PRO A 7 -1.269 5.204 2.055 1.00 31.43 C ATOM 54 O PRO A 7 -1.732 5.156 3.198 1.00 11.54 O ATOM 55 CB PRO A 7 -1.214 7.737 1.546 1.00 73.35 C ATOM 56 CG PRO A 7 -1.543 7.887 0.060 1.00 73.14 C ATOM 57 CD PRO A 7 -0.278 7.392 -0.640 1.00 50.35 C ATOM 58 HA PRO A 7 0.348 6.572 2.469 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.121 7.740 2.183 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.606 8.599 1.884 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.405 7.247 -0.210 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.807 8.924 -0.220 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.503 6.913 -1.613 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.423 8.229 -0.838 1.00 41.43 H HETATM 65 N DPN A 8 -1.475 4.209 1.174 1.00 0.00 N HETATM 66 CA DPN A 8 -2.209 2.953 1.509 1.00 0.00 C HETATM 67 C DPN A 8 -2.770 2.236 0.240 1.00 0.00 C HETATM 68 O DPN A 8 -3.973 1.986 0.147 1.00 0.00 O HETATM 69 CB DPN A 8 -1.303 2.005 2.359 1.00 0.00 C HETATM 70 CG DPN A 8 -2.062 0.942 3.168 1.00 0.00 C HETATM 71 CD1 DPN A 8 -2.474 1.226 4.475 1.00 0.00 C HETATM 72 CD2 DPN A 8 -2.316 -0.324 2.629 1.00 0.00 C HETATM 73 CE1 DPN A 8 -3.123 0.254 5.234 1.00 0.00 C HETATM 74 CE2 DPN A 8 -2.962 -1.295 3.390 1.00 0.00 C HETATM 75 CZ DPN A 8 -3.364 -1.006 4.692 1.00 0.00 C HETATM 76 H DPN A 8 -0.965 4.344 0.293 1.00 0.00 H HETATM 77 HA DPN A 8 -3.094 3.230 2.119 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.683 2.604 3.048 1.00 0.00 H HETATM 79 HB3 DPN A 8 -0.539 1.524 1.719 1.00 0.00 H HETATM 80 HD1 DPN A 8 -2.287 2.200 4.907 1.00 0.00 H HETATM 81 HD2 DPN A 8 -2.004 -0.560 1.621 1.00 0.00 H HETATM 82 HE1 DPN A 8 -3.436 0.477 6.244 1.00 0.00 H HETATM 83 HE2 DPN A 8 -3.151 -2.275 2.977 1.00 0.00 H HETATM 84 HZ DPN A 8 -3.864 -1.760 5.282 1.00 0.00 H ATOM 85 N ARG A 9 -1.883 1.831 -0.689 1.00 61.01 N ATOM 86 CA ARG A 9 -2.190 0.805 -1.718 1.00 53.23 C ATOM 87 C ARG A 9 -1.390 -0.485 -1.382 1.00 34.42 C ATOM 88 O ARG A 9 -0.160 -0.499 -1.276 1.00 75.42 O ATOM 89 CB ARG A 9 -1.861 1.383 -3.112 1.00 42.11 C ATOM 90 CG ARG A 9 -2.032 0.488 -4.369 1.00 51.03 C ATOM 91 CD ARG A 9 -3.465 -0.008 -4.670 1.00 32.53 C ATOM 92 NE ARG A 9 -3.647 -1.419 -4.226 1.00 61.34 N ATOM 93 CZ ARG A 9 -4.793 -2.096 -4.240 1.00 21.04 C ATOM 94 NH1 ARG A 9 -5.947 -1.572 -4.573 1.00 62.52 N ATOM 95 NH2 ARG A 9 -4.756 -3.350 -3.901 1.00 5.43 N ATOM 96 H ARG A 9 -0.912 2.087 -0.439 1.00 0.22 H ATOM 97 HA ARG A 9 -3.278 0.585 -1.723 1.00 25.44 H ATOM 98 HB2 ARG A 9 -2.480 2.287 -3.245 1.00 0.00 H ATOM 99 HB3 ARG A 9 -0.816 1.734 -3.093 1.00 63.23 H ATOM 100 HG2 ARG A 9 -1.697 1.095 -5.232 1.00 0.00 H ATOM 101 HG3 ARG A 9 -1.299 -0.345 -4.351 1.00 34.21 H ATOM 102 HD2 ARG A 9 -4.211 0.673 -4.209 1.00 0.00 H ATOM 103 HD3 ARG A 9 -3.644 0.054 -5.764 1.00 22.22 H ATOM 104 HE ARG A 9 -2.842 -2.011 -3.971 1.00 0.00 H ATOM 105 HH11 ARG A 9 -5.902 -0.586 -4.834 1.00 0.00 H ATOM 106 HH12 ARG A 9 -6.775 -2.169 -4.555 1.00 0.00 H ATOM 107 HH21 ARG A 9 -3.818 -3.715 -3.672 1.00 0.00 H ATOM 108 HH22 ARG A 9 -5.629 -3.881 -3.924 1.00 0.00 H ATOM 109 N TRP A 10 -2.129 -1.585 -1.240 1.00 0.00 N ATOM 110 CA TRP A 10 -1.544 -2.921 -0.982 1.00 0.00 C ATOM 111 C TRP A 10 -1.218 -3.657 -2.321 1.00 0.00 C ATOM 112 O TRP A 10 -2.004 -3.666 -3.276 1.00 0.00 O ATOM 113 CB TRP A 10 -2.536 -3.687 -0.074 1.00 0.00 C ATOM 114 CG TRP A 10 -2.008 -5.029 0.427 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.241 -6.256 -0.211 1.00 0.00 C ATOM 116 CD2 TRP A 10 -1.131 -5.299 1.458 1.00 0.00 C ATOM 117 NE1 TRP A 10 -1.523 -7.307 0.393 1.00 0.00 N ATOM 118 CE2 TRP A 10 -0.836 -6.686 1.426 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.513 -4.452 2.411 1.00 0.00 C ATOM 120 CZ2 TRP A 10 0.082 -7.235 2.350 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.378 -5.021 3.323 1.00 0.00 C ATOM 122 CH2 TRP A 10 0.675 -6.390 3.291 1.00 0.00 C ATOM 123 H TRP A 10 -3.090 -1.446 -1.557 1.00 0.00 H ATOM 124 HA TRP A 10 -0.612 -2.793 -0.388 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.781 -3.077 0.809 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.495 -3.839 -0.599 1.00 0.00 H ATOM 127 HD1 TRP A 10 -2.845 -6.327 -1.105 1.00 0.00 H ATOM 128 HE1 TRP A 10 -1.480 -8.294 0.116 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.722 -3.392 2.425 1.00 0.00 H ATOM 130 HZ2 TRP A 10 0.321 -8.288 2.327 1.00 0.00 H ATOM 131 HZ3 TRP A 10 0.852 -4.393 4.065 1.00 0.00 H ATOM 132 HH2 TRP A 10 1.376 -6.797 4.005 1.00 0.00 H ATOM 133 N LYS A 11 -0.042 -4.282 -2.339 1.00 74.43 N ATOM 134 CA LYS A 11 0.513 -5.008 -3.512 1.00 4.20 C ATOM 135 C LYS A 11 0.944 -6.483 -3.224 1.00 11.04 C ATOM 136 O LYS A 11 0.729 -7.369 -4.047 1.00 35.41 O ATOM 137 CB LYS A 11 1.615 -4.130 -4.162 1.00 41.10 C ATOM 138 CG LYS A 11 2.824 -3.700 -3.297 1.00 44.10 C ATOM 139 CD LYS A 11 3.884 -2.844 -4.026 1.00 33.11 C ATOM 140 CE LYS A 11 3.431 -1.516 -4.673 1.00 70.12 C ATOM 141 NZ LYS A 11 2.799 -0.583 -3.710 1.00 43.51 N ATOM 142 H LYS A 11 0.517 -4.154 -1.487 1.00 20.44 H ATOM 143 HA LYS A 11 -0.270 -5.109 -4.286 1.00 50.52 H ATOM 144 HB2 LYS A 11 1.991 -4.660 -5.050 1.00 0.00 H ATOM 145 HB3 LYS A 11 1.125 -3.216 -4.545 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.463 -3.138 -2.415 1.00 0.00 H ATOM 147 HG3 LYS A 11 3.315 -4.604 -2.889 1.00 60.25 H ATOM 148 HD2 LYS A 11 4.701 -2.622 -3.313 1.00 0.00 H ATOM 149 HD3 LYS A 11 4.359 -3.467 -4.809 1.00 13.13 H ATOM 150 HE2 LYS A 11 4.299 -1.054 -5.187 1.00 0.00 H ATOM 151 HE3 LYS A 11 2.714 -1.724 -5.490 1.00 35.55 H ATOM 152 HZ1 LYS A 11 1.962 -0.821 -3.170 1.00 44.51 H HETATM 153 N NH2 A 12 1.552 -6.844 -2.106 1.00 24.35 N HETATM 154 HN1 NH2 A 12 1.615 -6.133 -1.365 1.00 71.12 H HETATM 155 HN2 NH2 A 12 1.709 -7.852 -2.032 1.00 14.20 H TER 156 NH2 A 12