HETATM 1 C ACE A 3 1.063 -3.684 3.433 1.00 1.42 C HETATM 2 O ACE A 3 0.498 -4.337 2.555 1.00 25.23 O HETATM 3 CH3 ACE A 3 1.650 -4.370 4.650 1.00 11.32 C HETATM 4 H1 ACE A 3 2.734 -4.173 4.743 1.00 11.05 H HETATM 5 H2 ACE A 3 1.152 -4.037 5.579 1.00 31.00 H HETATM 6 H3 ACE A 3 1.516 -5.464 4.579 1.00 0.00 H HETATM 7 N NLE A 4 1.193 -2.355 3.401 1.00 24.32 N HETATM 8 CA NLE A 4 0.569 -1.512 2.350 1.00 22.54 C HETATM 9 C NLE A 4 1.410 -0.250 1.967 1.00 51.12 C HETATM 10 O NLE A 4 2.002 0.423 2.818 1.00 4.44 O HETATM 11 CB NLE A 4 -0.891 -1.192 2.765 1.00 51.41 C HETATM 12 CG NLE A 4 -1.141 -0.319 4.020 1.00 53.53 C HETATM 13 CD NLE A 4 -2.630 -0.223 4.394 1.00 13.25 C HETATM 14 CE NLE A 4 -2.864 0.755 5.551 1.00 21.12 C HETATM 15 H NLE A 4 1.464 -1.934 4.289 1.00 73.41 H HETATM 16 HA NLE A 4 0.503 -2.131 1.433 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.404 -2.157 2.893 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.389 -0.735 1.899 1.00 64.43 H HETATM 19 HG2 NLE A 4 -0.721 0.688 3.856 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.581 -0.715 4.883 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.014 -1.225 4.669 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.233 0.095 3.524 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.320 0.453 6.466 1.00 35.54 H HETATM 24 HE2 NLE A 4 -2.535 1.780 5.293 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.937 0.817 5.815 1.00 14.24 H ATOM 26 N ASP A 5 1.433 0.073 0.663 1.00 42.23 N ATOM 27 CA ASP A 5 2.271 1.167 0.090 1.00 14.33 C ATOM 28 C ASP A 5 1.412 2.410 -0.357 1.00 70.04 C ATOM 29 O ASP A 5 0.437 2.203 -1.091 1.00 71.01 O ATOM 30 CB ASP A 5 3.037 0.614 -1.138 1.00 73.01 C ATOM 31 CG ASP A 5 4.174 -0.367 -0.827 1.00 3.02 C ATOM 32 OD1 ASP A 5 5.255 0.054 -0.416 1.00 41.31 O ATOM 33 H ASP A 5 0.855 -0.544 0.067 1.00 62.10 H ATOM 34 HA ASP A 5 3.034 1.482 0.828 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.327 0.197 -1.877 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.508 1.461 -1.663 1.00 72.20 H ATOM 37 N PRO A 6 1.730 3.695 -0.001 1.00 64.04 N ATOM 38 CA PRO A 6 0.932 4.886 -0.422 1.00 44.43 C ATOM 39 C PRO A 6 0.592 5.082 -1.947 1.00 31.44 C ATOM 40 O PRO A 6 1.476 4.817 -2.771 1.00 1.02 O ATOM 41 CB PRO A 6 1.795 6.052 0.095 1.00 53.11 C ATOM 42 CG PRO A 6 2.509 5.508 1.328 1.00 4.15 C ATOM 43 CD PRO A 6 2.760 4.035 1.003 1.00 41.55 C ATOM 44 HA PRO A 6 0.001 4.847 0.171 1.00 15.04 H ATOM 45 HB2 PRO A 6 2.549 6.355 -0.659 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.195 6.954 0.320 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.443 6.056 1.558 1.00 0.00 H ATOM 48 HG3 PRO A 6 1.856 5.606 2.216 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.773 3.884 0.586 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.674 3.421 1.923 1.00 72.34 H ATOM 51 N PRO A 7 -0.624 5.548 -2.378 1.00 22.14 N ATOM 52 CA PRO A 7 -1.770 5.928 -1.484 1.00 10.30 C ATOM 53 C PRO A 7 -2.616 4.823 -0.752 1.00 31.43 C ATOM 54 O PRO A 7 -3.632 5.150 -0.134 1.00 11.54 O ATOM 55 CB PRO A 7 -2.665 6.748 -2.445 1.00 73.35 C ATOM 56 CG PRO A 7 -1.776 7.164 -3.615 1.00 73.14 C ATOM 57 CD PRO A 7 -0.839 5.972 -3.776 1.00 50.35 C ATOM 58 HA PRO A 7 -1.398 6.617 -0.702 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.504 6.137 -2.835 1.00 0.00 H ATOM 60 HB3 PRO A 7 -3.130 7.617 -1.942 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.350 7.380 -4.536 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.202 8.077 -3.364 1.00 23.41 H ATOM 63 HD2 PRO A 7 -1.314 5.154 -4.353 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.090 6.258 -4.307 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.206 3.546 -0.801 1.00 55.11 N HETATM 66 CA 4J2 A 8 -2.909 2.411 -0.144 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.164 1.942 1.137 1.00 10.34 C HETATM 68 CG 4J2 A 8 -1.774 2.962 2.211 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.448 3.062 2.617 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.735 3.786 2.780 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.054 3.998 3.561 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -0.991 4.872 4.104 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.608 5.865 5.001 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.562 6.730 5.532 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.372 4.759 3.714 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.308 5.636 4.262 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -2.902 6.614 5.167 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.092 1.198 -1.115 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.987 4.040 3.851 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.194 0.662 -1.237 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.352 5.577 3.986 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.632 7.294 5.584 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.246 3.419 -1.134 1.00 71.33 H HETATM 84 HA 4J2 A 8 -3.917 2.723 0.179 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -2.800 1.186 1.616 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.264 1.382 0.842 1.00 60.00 H HETATM 87 HD1 4J2 A 8 0.278 2.400 2.182 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.740 3.643 2.426 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.436 5.974 5.267 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -1.260 7.501 6.227 1.00 0.00 H ATOM 91 N ARG A 9 -1.990 0.722 -1.729 1.00 0.00 N ATOM 92 CA ARG A 9 -1.932 -0.586 -2.424 1.00 0.00 C ATOM 93 C ARG A 9 -1.433 -1.680 -1.428 1.00 0.00 C ATOM 94 O ARG A 9 -0.412 -1.502 -0.754 1.00 0.00 O ATOM 95 CB ARG A 9 -0.953 -0.526 -3.626 1.00 0.00 C ATOM 96 CG ARG A 9 -1.226 0.485 -4.770 1.00 0.00 C ATOM 97 CD ARG A 9 -0.538 1.853 -4.591 1.00 0.00 C ATOM 98 NE ARG A 9 -0.693 2.625 -5.852 1.00 0.00 N ATOM 99 CZ ARG A 9 0.170 3.518 -6.333 1.00 0.00 C ATOM 100 NH1 ARG A 9 1.267 3.895 -5.731 1.00 0.00 N ATOM 101 NH2 ARG A 9 -0.110 4.050 -7.479 1.00 0.00 N ATOM 102 H ARG A 9 -1.137 1.262 -1.508 1.00 0.00 H ATOM 103 HA ARG A 9 -2.937 -0.852 -2.814 1.00 0.00 H ATOM 104 HB2 ARG A 9 0.082 -0.410 -3.254 1.00 0.00 H ATOM 105 HB3 ARG A 9 -0.954 -1.533 -4.080 1.00 0.00 H ATOM 106 HG2 ARG A 9 -0.862 0.038 -5.717 1.00 0.00 H ATOM 107 HG3 ARG A 9 -2.315 0.623 -4.925 1.00 0.00 H ATOM 108 HD2 ARG A 9 -0.985 2.418 -3.748 1.00 0.00 H ATOM 109 HD3 ARG A 9 0.528 1.703 -4.332 1.00 0.00 H ATOM 110 HH11 ARG A 9 1.385 3.521 -4.786 1.00 0.00 H ATOM 111 HH12 ARG A 9 1.833 4.603 -6.201 1.00 0.00 H ATOM 112 HH21 ARG A 9 -0.981 3.686 -7.872 1.00 0.00 H ATOM 113 HH22 ARG A 9 0.549 4.725 -7.868 1.00 0.00 H ATOM 114 N TRP A 10 -2.120 -2.827 -1.354 1.00 0.00 N ATOM 115 CA TRP A 10 -1.744 -3.928 -0.432 1.00 0.00 C ATOM 116 C TRP A 10 -0.631 -4.841 -1.048 1.00 0.00 C ATOM 117 O TRP A 10 -0.679 -5.238 -2.215 1.00 0.00 O ATOM 118 CB TRP A 10 -3.053 -4.676 -0.075 1.00 0.00 C ATOM 119 CG TRP A 10 -2.895 -5.800 0.950 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.723 -7.153 0.622 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.764 -5.725 2.323 1.00 0.00 C ATOM 122 NE1 TRP A 10 -2.468 -7.942 1.763 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.489 -7.028 2.807 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.821 -4.625 3.211 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -2.249 -7.235 4.186 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -2.582 -4.850 4.568 1.00 0.00 C ATOM 127 CH2 TRP A 10 -2.297 -6.136 5.048 1.00 0.00 C ATOM 128 H TRP A 10 -2.710 -3.022 -2.165 1.00 0.00 H ATOM 129 HA TRP A 10 -1.372 -3.483 0.515 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.793 -3.958 0.322 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.508 -5.086 -0.994 1.00 0.00 H ATOM 132 HD1 TRP A 10 -2.715 -7.501 -0.403 1.00 0.00 H ATOM 133 HE1 TRP A 10 -2.323 -8.956 1.821 1.00 0.00 H ATOM 134 HE3 TRP A 10 -3.047 -3.635 2.844 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -2.027 -8.223 4.563 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -2.614 -4.020 5.258 1.00 0.00 H ATOM 137 HH2 TRP A 10 -2.115 -6.281 6.104 1.00 0.00 H ATOM 138 N LYS A 11 0.354 -5.182 -0.211 1.00 74.43 N ATOM 139 CA LYS A 11 1.519 -6.026 -0.603 1.00 4.20 C ATOM 140 C LYS A 11 1.213 -7.550 -0.785 1.00 11.04 C ATOM 141 O LYS A 11 1.573 -8.152 -1.793 1.00 35.41 O ATOM 142 CB LYS A 11 2.659 -5.793 0.431 1.00 41.10 C ATOM 143 CG LYS A 11 3.327 -4.397 0.455 1.00 44.10 C ATOM 144 CD LYS A 11 4.239 -4.110 -0.761 1.00 33.11 C ATOM 145 CE LYS A 11 4.900 -2.719 -0.743 1.00 70.12 C ATOM 146 NZ LYS A 11 3.911 -1.659 -1.029 1.00 43.51 N ATOM 147 H LYS A 11 0.266 -4.759 0.725 1.00 20.44 H ATOM 148 HA LYS A 11 1.884 -5.682 -1.590 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.275 -6.015 1.447 1.00 0.00 H ATOM 150 HB3 LYS A 11 3.451 -6.547 0.279 1.00 63.23 H ATOM 151 HG2 LYS A 11 2.551 -3.613 0.550 1.00 0.00 H ATOM 152 HG3 LYS A 11 3.926 -4.307 1.382 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.038 -4.875 -0.792 1.00 0.00 H ATOM 154 HD3 LYS A 11 3.684 -4.245 -1.710 1.00 13.13 H ATOM 155 HE2 LYS A 11 5.404 -2.545 0.230 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.704 -2.680 -1.504 1.00 35.55 H ATOM 157 HZ1 LYS A 11 2.950 -1.861 -1.321 1.00 44.51 H HETATM 158 N NH2 A 12 0.590 -8.252 0.144 1.00 24.35 N HETATM 159 HN1 NH2 A 12 0.131 -7.713 0.886 1.00 71.12 H HETATM 160 HN2 NH2 A 12 0.403 -9.217 -0.141 1.00 14.20 H TER 161 NH2 A 12