HETATM 1 C ACE A 3 0.790 -4.428 2.695 1.00 1.42 C HETATM 2 O ACE A 3 1.120 -5.292 3.500 1.00 25.23 O HETATM 3 CH3 ACE A 3 0.854 -4.728 1.203 1.00 11.32 C HETATM 4 H1 ACE A 3 1.424 -5.656 1.022 1.00 11.05 H HETATM 5 H2 ACE A 3 -0.162 -4.875 0.799 1.00 31.00 H HETATM 6 H3 ACE A 3 1.353 -3.913 0.651 1.00 0.00 H HETATM 7 N NLE A 4 0.373 -3.266 3.191 1.00 24.32 N HETATM 8 CA NLE A 4 -0.115 -2.102 2.402 1.00 22.54 C HETATM 9 C NLE A 4 1.016 -1.086 2.029 1.00 51.12 C HETATM 10 O NLE A 4 1.776 -0.610 2.879 1.00 4.44 O HETATM 11 CB NLE A 4 -1.297 -1.441 3.163 1.00 51.41 C HETATM 12 CG NLE A 4 -1.088 -1.003 4.640 1.00 53.53 C HETATM 13 CD NLE A 4 -2.311 -0.323 5.283 1.00 13.25 C HETATM 14 CE NLE A 4 -3.465 -1.284 5.607 1.00 21.12 C HETATM 15 H NLE A 4 0.372 -3.251 4.212 1.00 73.41 H HETATM 16 HA NLE A 4 -0.567 -2.480 1.461 1.00 13.34 H HETATM 17 HB2 NLE A 4 -2.158 -2.126 3.109 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.629 -0.563 2.584 1.00 64.43 H HETATM 19 HG2 NLE A 4 -0.228 -0.309 4.689 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.784 -1.864 5.264 1.00 61.35 H HETATM 21 HD2 NLE A 4 -2.676 0.497 4.639 1.00 34.12 H HETATM 22 HD3 NLE A 4 -1.990 0.176 6.219 1.00 2.42 H HETATM 23 HE1 NLE A 4 -3.142 -2.099 6.281 1.00 35.54 H HETATM 24 HE2 NLE A 4 -4.295 -0.753 6.108 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.883 -1.751 4.696 1.00 14.24 H ATOM 26 N ASP A 5 1.094 -0.743 0.735 1.00 42.23 N ATOM 27 CA ASP A 5 2.114 0.193 0.187 1.00 14.33 C ATOM 28 C ASP A 5 1.589 1.665 0.160 1.00 70.04 C ATOM 29 O ASP A 5 0.565 1.953 -0.468 1.00 71.01 O ATOM 30 CB ASP A 5 2.490 -0.284 -1.247 1.00 73.01 C ATOM 31 CG ASP A 5 3.495 -1.446 -1.340 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.388 -1.569 -0.500 1.00 41.31 O ATOM 33 H ASP A 5 0.287 -1.049 0.167 1.00 62.10 H ATOM 34 HA ASP A 5 3.031 0.155 0.813 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.571 -0.497 -1.829 1.00 0.00 H ATOM 36 HB3 ASP A 5 2.966 0.552 -1.791 1.00 72.20 H ATOM 37 N TRP A 6 2.315 2.598 0.809 1.00 0.00 N ATOM 38 CA TRP A 6 1.950 4.047 0.860 1.00 0.00 C ATOM 39 C TRP A 6 1.839 4.745 -0.557 1.00 0.00 C ATOM 40 O TRP A 6 2.728 4.513 -1.386 1.00 0.00 O ATOM 41 CB TRP A 6 3.008 4.729 1.781 1.00 0.00 C ATOM 42 CG TRP A 6 2.755 6.209 2.121 1.00 0.00 C ATOM 43 CD1 TRP A 6 3.137 7.312 1.323 1.00 0.00 C ATOM 44 CD2 TRP A 6 2.033 6.751 3.172 1.00 0.00 C ATOM 45 NE1 TRP A 6 2.671 8.532 1.852 1.00 0.00 N ATOM 46 CE2 TRP A 6 1.984 8.158 2.993 1.00 0.00 C ATOM 47 CE3 TRP A 6 1.349 6.143 4.252 1.00 0.00 C ATOM 48 CZ2 TRP A 6 1.250 8.962 3.895 1.00 0.00 C ATOM 49 CZ3 TRP A 6 0.636 6.956 5.134 1.00 0.00 C ATOM 50 CH2 TRP A 6 0.587 8.345 4.959 1.00 0.00 C ATOM 51 H TRP A 6 3.157 2.240 1.269 1.00 0.00 H ATOM 52 HA TRP A 6 0.973 4.107 1.375 1.00 0.00 H ATOM 53 HB2 TRP A 6 3.088 4.174 2.736 1.00 0.00 H ATOM 54 HB3 TRP A 6 4.012 4.640 1.323 1.00 0.00 H ATOM 55 HD1 TRP A 6 3.641 7.224 0.372 1.00 0.00 H ATOM 56 HE1 TRP A 6 2.775 9.477 1.465 1.00 0.00 H ATOM 57 HE3 TRP A 6 1.371 5.074 4.388 1.00 0.00 H ATOM 58 HZ2 TRP A 6 1.197 10.032 3.760 1.00 0.00 H ATOM 59 HZ3 TRP A 6 0.108 6.508 5.962 1.00 0.00 H ATOM 60 HH2 TRP A 6 0.021 8.949 5.654 1.00 0.00 H ATOM 61 N PRO A 7 0.812 5.590 -0.887 1.00 22.14 N ATOM 62 CA PRO A 7 -0.223 6.098 0.074 1.00 10.30 C ATOM 63 C PRO A 7 -1.504 5.239 0.370 1.00 31.43 C ATOM 64 O PRO A 7 -2.423 5.729 1.030 1.00 11.54 O ATOM 65 CB PRO A 7 -0.535 7.464 -0.570 1.00 73.35 C ATOM 66 CG PRO A 7 -0.413 7.233 -2.076 1.00 73.14 C ATOM 67 CD PRO A 7 0.778 6.284 -2.194 1.00 50.35 C ATOM 68 HA PRO A 7 0.219 6.305 1.063 1.00 70.33 H ATOM 69 HB2 PRO A 7 -1.517 7.876 -0.275 1.00 0.00 H ATOM 70 HB3 PRO A 7 0.215 8.212 -0.240 1.00 33.33 H ATOM 71 HG2 PRO A 7 -1.331 6.750 -2.466 1.00 0.00 H ATOM 72 HG3 PRO A 7 -0.270 8.170 -2.645 1.00 23.41 H ATOM 73 HD2 PRO A 7 0.664 5.574 -3.035 1.00 0.00 H ATOM 74 HD3 PRO A 7 1.718 6.847 -2.359 1.00 41.43 H HETATM 75 N 4J2 A 8 -1.547 3.969 -0.056 1.00 55.11 N HETATM 76 CA 4J2 A 8 -2.644 3.010 0.273 1.00 24.43 C HETATM 77 CB 4J2 A 8 -2.193 2.019 1.394 1.00 10.34 C HETATM 78 CG 4J2 A 8 -1.787 2.577 2.764 1.00 12.23 C HETATM 79 CD1 4J2 A 8 -2.713 3.278 3.533 1.00 0.11 C HETATM 80 CD2 4J2 A 8 -0.526 2.290 3.284 1.00 72.21 C HETATM 81 CE1 4J2 A 8 -2.393 3.711 4.817 1.00 51.02 C HETATM 82 CZ1 4J2 A 8 -1.140 3.419 5.360 1.00 50.12 C HETATM 83 CZ2 4J2 A 8 -0.803 3.802 6.659 1.00 30.24 C HETATM 84 CZ3 4J2 A 8 0.444 3.476 7.184 1.00 44.51 C HETATM 85 CE2 4J2 A 8 -0.184 2.687 4.574 1.00 75.11 C HETATM 86 CE3 4J2 A 8 1.056 2.363 5.126 1.00 3.32 C HETATM 87 CE4 4J2 A 8 1.367 2.760 6.424 1.00 51.13 C HETATM 88 HE1 4J2 A 8 -3.137 4.249 5.388 1.00 0.00 H HETATM 89 C 4J2 A 8 -3.108 2.193 -0.975 1.00 22.34 C HETATM 90 HE3 4J2 A 8 1.783 1.794 4.562 1.00 0.00 H HETATM 91 O 4J2 A 8 -4.301 2.130 -1.277 1.00 52.33 O HETATM 92 HE4 4J2 A 8 2.328 2.506 6.846 1.00 0.00 H HETATM 93 H 4J2 A 8 -0.677 3.656 -0.503 1.00 71.33 H HETATM 94 HA 4J2 A 8 -3.540 3.557 0.630 1.00 41.44 H HETATM 95 HB2 4J2 A 8 -3.005 1.293 1.566 1.00 40.54 H HETATM 96 HB1 4J2 A 8 -1.378 1.380 1.007 1.00 60.00 H HETATM 97 HD1 4J2 A 8 -3.693 3.454 3.119 1.00 0.00 H HETATM 98 HD2 4J2 A 8 0.164 1.703 2.694 1.00 0.00 H HETATM 99 HZ2 4J2 A 8 -1.502 4.351 7.276 1.00 0.00 H HETATM 100 HZ23 4J2 A 8 0.698 3.775 8.190 1.00 0.00 H ATOM 101 N ARG A 9 -2.163 1.498 -1.633 1.00 0.00 N ATOM 102 CA ARG A 9 -2.441 0.352 -2.525 1.00 0.00 C ATOM 103 C ARG A 9 -2.075 -0.974 -1.782 1.00 0.00 C ATOM 104 O ARG A 9 -1.131 -1.047 -0.985 1.00 0.00 O ATOM 105 CB ARG A 9 -1.588 0.583 -3.799 1.00 0.00 C ATOM 106 CG ARG A 9 -1.796 -0.441 -4.934 1.00 0.00 C ATOM 107 CD ARG A 9 -0.970 -0.117 -6.188 1.00 0.00 C ATOM 108 NE ARG A 9 -1.199 -1.181 -7.195 1.00 0.00 N ATOM 109 CZ ARG A 9 -0.623 -1.246 -8.393 1.00 0.00 C ATOM 110 NH1 ARG A 9 0.231 -0.367 -8.852 1.00 0.00 N ATOM 111 NH2 ARG A 9 -0.935 -2.249 -9.148 1.00 0.00 N ATOM 112 H ARG A 9 -1.248 1.570 -1.171 1.00 0.00 H ATOM 113 HA ARG A 9 -3.514 0.339 -2.815 1.00 0.00 H ATOM 114 HB2 ARG A 9 -1.814 1.588 -4.201 1.00 0.00 H ATOM 115 HB3 ARG A 9 -0.517 0.600 -3.524 1.00 0.00 H ATOM 116 HG2 ARG A 9 -1.522 -1.454 -4.576 1.00 0.00 H ATOM 117 HG3 ARG A 9 -2.870 -0.490 -5.196 1.00 0.00 H ATOM 118 HD2 ARG A 9 -1.262 0.871 -6.597 1.00 0.00 H ATOM 119 HD3 ARG A 9 0.107 -0.055 -5.932 1.00 0.00 H ATOM 120 HH11 ARG A 9 0.424 0.398 -8.204 1.00 0.00 H ATOM 121 HH12 ARG A 9 0.603 -0.523 -9.790 1.00 0.00 H ATOM 122 HH21 ARG A 9 -1.609 -2.874 -8.703 1.00 0.00 H ATOM 123 HH22 ARG A 9 -0.503 -2.308 -10.071 1.00 0.00 H ATOM 124 N TRP A 10 -2.805 -2.049 -2.097 1.00 0.00 N ATOM 125 CA TRP A 10 -2.427 -3.415 -1.659 1.00 0.00 C ATOM 126 C TRP A 10 -1.483 -4.085 -2.713 1.00 0.00 C ATOM 127 O TRP A 10 -1.730 -4.043 -3.923 1.00 0.00 O ATOM 128 CB TRP A 10 -3.730 -4.208 -1.388 1.00 0.00 C ATOM 129 CG TRP A 10 -3.482 -5.547 -0.699 1.00 0.00 C ATOM 130 CD1 TRP A 10 -3.322 -6.760 -1.377 1.00 0.00 C ATOM 131 CD2 TRP A 10 -3.174 -5.804 0.621 1.00 0.00 C ATOM 132 NE1 TRP A 10 -2.909 -7.793 -0.511 1.00 0.00 N ATOM 133 CE2 TRP A 10 -2.818 -7.171 0.726 1.00 0.00 C ATOM 134 CE3 TRP A 10 -3.090 -4.946 1.745 1.00 0.00 C ATOM 135 CZ2 TRP A 10 -2.366 -7.689 1.963 1.00 0.00 C ATOM 136 CZ3 TRP A 10 -2.657 -5.483 2.958 1.00 0.00 C ATOM 137 CH2 TRP A 10 -2.295 -6.833 3.065 1.00 0.00 C ATOM 138 H TRP A 10 -3.373 -1.905 -2.935 1.00 0.00 H ATOM 139 HA TRP A 10 -1.894 -3.347 -0.688 1.00 0.00 H ATOM 140 HB2 TRP A 10 -4.409 -3.626 -0.745 1.00 0.00 H ATOM 141 HB3 TRP A 10 -4.291 -4.364 -2.326 1.00 0.00 H ATOM 142 HD1 TRP A 10 -3.408 -6.814 -2.451 1.00 0.00 H ATOM 143 HE1 TRP A 10 -2.632 -8.752 -0.753 1.00 0.00 H ATOM 144 HE3 TRP A 10 -3.343 -3.900 1.653 1.00 0.00 H ATOM 145 HZ2 TRP A 10 -2.067 -8.724 2.049 1.00 0.00 H ATOM 146 HZ3 TRP A 10 -2.576 -4.841 3.825 1.00 0.00 H ATOM 147 HH2 TRP A 10 -1.943 -7.214 4.013 1.00 0.00 H ATOM 148 N LYS A 11 -0.404 -4.720 -2.234 1.00 74.43 N ATOM 149 CA LYS A 11 0.652 -5.299 -3.096 1.00 4.20 C ATOM 150 C LYS A 11 0.245 -6.671 -3.736 1.00 11.04 C ATOM 151 O LYS A 11 0.538 -7.759 -3.246 1.00 35.41 O ATOM 152 CB LYS A 11 1.894 -5.365 -2.168 1.00 41.10 C ATOM 153 CG LYS A 11 3.242 -5.613 -2.864 1.00 44.10 C ATOM 154 CD LYS A 11 3.855 -4.409 -3.621 1.00 33.11 C ATOM 155 CE LYS A 11 4.402 -3.271 -2.731 1.00 70.12 C ATOM 156 NZ LYS A 11 3.384 -2.246 -2.406 1.00 43.51 N ATOM 157 H LYS A 11 -0.274 -4.701 -1.219 1.00 20.44 H ATOM 158 HA LYS A 11 0.887 -4.586 -3.909 1.00 50.52 H ATOM 159 HB2 LYS A 11 2.000 -4.443 -1.565 1.00 0.00 H ATOM 160 HB3 LYS A 11 1.734 -6.170 -1.425 1.00 63.23 H ATOM 161 HG2 LYS A 11 3.956 -5.957 -2.093 1.00 0.00 H ATOM 162 HG3 LYS A 11 3.129 -6.472 -3.550 1.00 60.25 H ATOM 163 HD2 LYS A 11 4.705 -4.802 -4.211 1.00 0.00 H ATOM 164 HD3 LYS A 11 3.157 -4.021 -4.387 1.00 13.13 H ATOM 165 HE2 LYS A 11 4.864 -3.697 -1.815 1.00 0.00 H ATOM 166 HE3 LYS A 11 5.237 -2.772 -3.261 1.00 35.55 H ATOM 167 HZ1 LYS A 11 2.605 -2.020 -3.031 1.00 44.51 H HETATM 168 N NH2 A 12 -0.451 -6.671 -4.854 1.00 24.35 N HETATM 169 HN1 NH2 A 12 -0.907 -5.779 -5.081 1.00 71.12 H HETATM 170 HN2 NH2 A 12 -0.743 -7.610 -5.142 1.00 14.20 H TER 171 NH2 A 12