HETATM 1 C ACE A 3 1.365 -4.193 3.132 1.00 1.42 C HETATM 2 O ACE A 3 0.589 -4.750 2.359 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.295 -5.008 4.011 1.00 11.32 C HETATM 4 H1 ACE A 3 3.354 -4.828 3.750 1.00 11.05 H HETATM 5 H2 ACE A 3 2.151 -4.773 5.081 1.00 31.00 H HETATM 6 H3 ACE A 3 2.100 -6.088 3.885 1.00 0.00 H HETATM 7 N NLE A 4 1.470 -2.871 3.264 1.00 24.32 N HETATM 8 CA NLE A 4 0.594 -1.903 2.547 1.00 22.54 C HETATM 9 C NLE A 4 1.405 -0.630 2.141 1.00 51.12 C HETATM 10 O NLE A 4 2.147 -0.050 2.940 1.00 4.44 O HETATM 11 CB NLE A 4 -0.599 -1.589 3.480 1.00 51.41 C HETATM 12 CG NLE A 4 -1.744 -0.746 2.887 1.00 53.53 C HETATM 13 CD NLE A 4 -2.933 -0.561 3.848 1.00 13.25 C HETATM 14 CE NLE A 4 -2.675 0.455 4.973 1.00 21.12 C HETATM 15 H NLE A 4 2.109 -2.567 4.002 1.00 73.41 H HETATM 16 HA NLE A 4 0.192 -2.380 1.629 1.00 13.34 H HETATM 17 HB2 NLE A 4 -0.216 -1.090 4.388 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.033 -2.544 3.816 1.00 64.43 H HETATM 19 HG2 NLE A 4 -2.110 -1.199 1.946 1.00 24.40 H HETATM 20 HG3 NLE A 4 -1.351 0.238 2.592 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.230 -1.537 4.277 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.809 -0.223 3.265 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.429 1.458 4.576 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.566 0.575 5.619 1.00 13.20 H HETATM 25 HE3 NLE A 4 -1.840 0.148 5.629 1.00 14.24 H ATOM 26 N ASP A 5 1.243 -0.205 0.881 1.00 42.23 N ATOM 27 CA ASP A 5 2.090 0.848 0.252 1.00 14.33 C ATOM 28 C ASP A 5 1.271 2.128 -0.159 1.00 70.04 C ATOM 29 O ASP A 5 0.246 1.976 -0.838 1.00 71.01 O ATOM 30 CB ASP A 5 2.768 0.246 -1.007 1.00 73.01 C ATOM 31 CG ASP A 5 3.973 -0.682 -0.768 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.747 -0.484 0.170 1.00 41.31 O ATOM 33 H ASP A 5 0.481 -0.681 0.378 1.00 62.10 H ATOM 34 HA ASP A 5 2.902 1.140 0.943 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.999 -0.237 -1.639 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.156 1.075 -1.621 1.00 72.20 H ATOM 37 N PRO A 6 1.700 3.394 0.150 1.00 64.04 N ATOM 38 CA PRO A 6 1.043 4.631 -0.365 1.00 44.43 C ATOM 39 C PRO A 6 0.864 4.773 -1.924 1.00 31.44 C ATOM 40 O PRO A 6 1.780 4.371 -2.653 1.00 1.02 O ATOM 41 CB PRO A 6 1.954 5.746 0.188 1.00 53.11 C ATOM 42 CG PRO A 6 2.585 5.167 1.451 1.00 4.15 C ATOM 43 CD PRO A 6 2.760 3.681 1.137 1.00 41.55 C ATOM 44 HA PRO A 6 0.061 4.686 0.139 1.00 15.04 H ATOM 45 HB2 PRO A 6 2.756 6.001 -0.533 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.399 6.683 0.386 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.539 5.659 1.717 1.00 0.00 H ATOM 48 HG3 PRO A 6 1.905 5.305 2.312 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.755 3.476 0.699 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.657 3.075 2.060 1.00 72.34 H ATOM 51 N PRO A 7 -0.255 5.324 -2.488 1.00 22.14 N ATOM 52 CA PRO A 7 -1.386 5.938 -1.720 1.00 10.30 C ATOM 53 C PRO A 7 -2.493 5.001 -1.107 1.00 31.43 C ATOM 54 O PRO A 7 -3.557 5.489 -0.721 1.00 11.54 O ATOM 55 CB PRO A 7 -1.944 6.901 -2.791 1.00 73.35 C ATOM 56 CG PRO A 7 -1.726 6.186 -4.127 1.00 73.14 C ATOM 57 CD PRO A 7 -0.373 5.500 -3.952 1.00 50.35 C ATOM 58 HA PRO A 7 -1.001 6.552 -0.883 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.003 7.180 -2.630 1.00 0.00 H ATOM 60 HB3 PRO A 7 -1.374 7.851 -2.778 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.520 5.430 -4.291 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.747 6.875 -4.993 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.323 4.535 -4.492 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.449 6.138 -4.333 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.235 3.691 -0.966 1.00 55.11 N HETATM 66 CA 4J2 A 8 -3.155 2.719 -0.315 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.569 2.210 1.034 1.00 10.34 C HETATM 68 CG 4J2 A 8 -2.031 3.201 2.074 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.764 3.008 2.617 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.792 4.296 2.460 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.228 3.912 3.523 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -0.953 5.046 3.883 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.410 6.005 4.736 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.148 7.135 5.076 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.273 5.242 3.347 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -2.993 6.382 3.705 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -2.431 7.321 4.566 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.469 1.501 -1.242 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.764 3.731 3.915 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.634 1.149 -1.437 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -3.987 6.556 3.314 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -2.992 8.204 4.836 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.268 3.418 -1.169 1.00 71.33 H HETATM 84 HA 4J2 A 8 -4.116 3.199 -0.068 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.344 1.605 1.526 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.770 1.489 0.804 1.00 60.00 H HETATM 87 HD1 4J2 A 8 -0.186 2.158 2.302 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.764 4.382 2.003 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.595 5.881 5.120 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -0.720 7.876 5.736 1.00 0.00 H ATOM 91 N ARG A 9 -2.416 0.822 -1.737 1.00 0.00 N ATOM 92 CA ARG A 9 -2.508 -0.542 -2.313 1.00 0.00 C ATOM 93 C ARG A 9 -1.927 -1.593 -1.315 1.00 0.00 C ATOM 94 O ARG A 9 -0.986 -1.323 -0.557 1.00 0.00 O ATOM 95 CB ARG A 9 -1.730 -0.565 -3.656 1.00 0.00 C ATOM 96 CG ARG A 9 -2.315 0.263 -4.834 1.00 0.00 C ATOM 97 CD ARG A 9 -3.755 -0.081 -5.271 1.00 0.00 C ATOM 98 NE ARG A 9 -3.855 -1.477 -5.773 1.00 0.00 N ATOM 99 CZ ARG A 9 -4.988 -2.113 -6.065 1.00 0.00 C ATOM 100 NH1 ARG A 9 -6.181 -1.586 -5.955 1.00 0.00 N ATOM 101 NH2 ARG A 9 -4.893 -3.333 -6.483 1.00 0.00 N ATOM 102 H ARG A 9 -1.510 1.233 -1.465 1.00 0.00 H ATOM 103 HA ARG A 9 -3.565 -0.807 -2.518 1.00 0.00 H ATOM 104 HB2 ARG A 9 -0.681 -0.261 -3.477 1.00 0.00 H ATOM 105 HB3 ARG A 9 -1.651 -1.613 -3.996 1.00 0.00 H ATOM 106 HG2 ARG A 9 -2.271 1.337 -4.573 1.00 0.00 H ATOM 107 HG3 ARG A 9 -1.647 0.160 -5.711 1.00 0.00 H ATOM 108 HD2 ARG A 9 -4.456 0.094 -4.429 1.00 0.00 H ATOM 109 HD3 ARG A 9 -4.071 0.619 -6.070 1.00 0.00 H ATOM 110 HH11 ARG A 9 -6.177 -0.620 -5.625 1.00 0.00 H ATOM 111 HH12 ARG A 9 -6.974 -2.174 -6.212 1.00 0.00 H ATOM 112 HH21 ARG A 9 -3.922 -3.649 -6.538 1.00 0.00 H ATOM 113 HH22 ARG A 9 -5.753 -3.829 -6.715 1.00 0.00 H ATOM 114 N TRP A 10 -2.475 -2.821 -1.339 1.00 0.00 N ATOM 115 CA TRP A 10 -1.954 -3.938 -0.519 1.00 0.00 C ATOM 116 C TRP A 10 -0.776 -4.661 -1.251 1.00 0.00 C ATOM 117 O TRP A 10 -0.843 -5.014 -2.433 1.00 0.00 O ATOM 118 CB TRP A 10 -3.143 -4.864 -0.167 1.00 0.00 C ATOM 119 CG TRP A 10 -2.778 -6.014 0.775 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.421 -7.303 0.346 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.554 -5.993 2.137 1.00 0.00 C ATOM 122 NE1 TRP A 10 -1.976 -8.106 1.416 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.057 -7.265 2.516 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.668 -4.950 3.090 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -1.661 -7.500 3.853 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -2.282 -5.209 4.407 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.784 -6.463 4.783 1.00 0.00 C ATOM 128 H TRP A 10 -3.040 -3.028 -2.165 1.00 0.00 H ATOM 129 HA TRP A 10 -1.597 -3.525 0.450 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.947 -4.275 0.308 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.586 -5.272 -1.093 1.00 0.00 H ATOM 132 HD1 TRP A 10 -2.407 -7.577 -0.700 1.00 0.00 H ATOM 133 HE1 TRP A 10 -1.611 -9.064 1.382 1.00 0.00 H ATOM 134 HE3 TRP A 10 -3.029 -3.973 2.800 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -1.263 -8.459 4.148 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -2.358 -4.424 5.146 1.00 0.00 H ATOM 137 HH2 TRP A 10 -1.483 -6.631 5.807 1.00 0.00 H ATOM 138 N LYS A 11 0.293 -4.876 -0.487 1.00 74.43 N ATOM 139 CA LYS A 11 1.551 -5.507 -0.952 1.00 4.20 C ATOM 140 C LYS A 11 1.730 -6.965 -0.414 1.00 11.04 C ATOM 141 O LYS A 11 1.974 -7.896 -1.176 1.00 35.41 O ATOM 142 CB LYS A 11 2.662 -4.505 -0.532 1.00 41.10 C ATOM 143 CG LYS A 11 4.070 -4.842 -1.052 1.00 44.10 C ATOM 144 CD LYS A 11 5.143 -3.790 -0.682 1.00 33.11 C ATOM 145 CE LYS A 11 5.301 -2.583 -1.638 1.00 70.12 C ATOM 146 NZ LYS A 11 4.145 -1.656 -1.668 1.00 43.51 N ATOM 147 H LYS A 11 0.171 -4.614 0.497 1.00 20.44 H ATOM 148 HA LYS A 11 1.560 -5.575 -2.059 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.390 -3.493 -0.889 1.00 0.00 H ATOM 150 HB3 LYS A 11 2.700 -4.414 0.571 1.00 63.23 H ATOM 151 HG2 LYS A 11 4.363 -5.819 -0.624 1.00 0.00 H ATOM 152 HG3 LYS A 11 4.031 -5.001 -2.144 1.00 60.25 H ATOM 153 HD2 LYS A 11 4.996 -3.429 0.354 1.00 0.00 H ATOM 154 HD3 LYS A 11 6.120 -4.306 -0.652 1.00 13.13 H ATOM 155 HE2 LYS A 11 6.223 -2.029 -1.371 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.491 -2.951 -2.664 1.00 35.55 H ATOM 157 HZ1 LYS A 11 3.408 -1.715 -2.375 1.00 44.51 H HETATM 158 N NH2 A 12 1.645 -7.249 0.876 1.00 24.35 N HETATM 159 HN1 NH2 A 12 1.269 -6.502 1.476 1.00 71.12 H HETATM 160 HN2 NH2 A 12 1.694 -8.251 1.076 1.00 14.20 H TER 161 NH2 A 12