HETATM 1 C ACE A 3 0.411 -4.349 1.353 1.00 1.42 C HETATM 2 O ACE A 3 0.401 -4.026 0.166 1.00 25.23 O HETATM 3 CH3 ACE A 3 0.776 -5.761 1.770 1.00 11.32 C HETATM 4 H1 ACE A 3 0.829 -6.425 0.890 1.00 11.05 H HETATM 5 H2 ACE A 3 1.762 -5.785 2.267 1.00 31.00 H HETATM 6 H3 ACE A 3 0.028 -6.194 2.459 1.00 0.00 H HETATM 7 N NLE A 4 0.117 -3.511 2.346 1.00 24.32 N HETATM 8 CA NLE A 4 -0.287 -2.099 2.116 1.00 22.54 C HETATM 9 C NLE A 4 0.927 -1.128 1.976 1.00 51.12 C HETATM 10 O NLE A 4 1.719 -0.927 2.902 1.00 4.44 O HETATM 11 CB NLE A 4 -1.316 -1.661 3.185 1.00 51.41 C HETATM 12 CG NLE A 4 -0.895 -1.673 4.678 1.00 53.53 C HETATM 13 CD NLE A 4 -2.082 -1.606 5.658 1.00 13.25 C HETATM 14 CE NLE A 4 -2.798 -0.249 5.694 1.00 21.12 C HETATM 15 H NLE A 4 0.115 -3.924 3.280 1.00 73.41 H HETATM 16 HA NLE A 4 -0.866 -2.077 1.170 1.00 13.34 H HETATM 17 HB2 NLE A 4 -2.215 -2.281 3.042 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.665 -0.646 2.936 1.00 64.43 H HETATM 19 HG2 NLE A 4 -0.182 -0.849 4.880 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.327 -2.595 4.900 1.00 61.35 H HETATM 21 HD2 NLE A 4 -1.714 -1.835 6.676 1.00 34.12 H HETATM 22 HD3 NLE A 4 -2.808 -2.408 5.424 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.115 0.560 6.010 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.209 0.034 4.706 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.643 -0.258 6.406 1.00 14.24 H ATOM 26 N ASP A 5 1.043 -0.525 0.788 1.00 42.23 N ATOM 27 CA ASP A 5 2.189 0.345 0.406 1.00 14.33 C ATOM 28 C ASP A 5 1.718 1.826 0.249 1.00 70.04 C ATOM 29 O ASP A 5 0.756 2.113 -0.472 1.00 71.01 O ATOM 30 CB ASP A 5 2.805 -0.221 -0.903 1.00 73.01 C ATOM 31 CG ASP A 5 3.748 -1.418 -0.709 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.957 -1.222 -0.580 1.00 41.31 O ATOM 33 H ASP A 5 0.287 -0.772 0.128 1.00 62.10 H ATOM 34 HA ASP A 5 2.978 0.312 1.188 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.026 -0.455 -1.653 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.405 0.567 -1.390 1.00 72.20 H ATOM 37 N TRP A 6 2.399 2.764 0.936 1.00 0.00 N ATOM 38 CA TRP A 6 1.976 4.194 1.031 1.00 0.00 C ATOM 39 C TRP A 6 1.886 4.949 -0.356 1.00 0.00 C ATOM 40 O TRP A 6 2.838 4.837 -1.139 1.00 0.00 O ATOM 41 CB TRP A 6 2.962 4.881 2.022 1.00 0.00 C ATOM 42 CG TRP A 6 2.611 6.326 2.421 1.00 0.00 C ATOM 43 CD1 TRP A 6 2.947 7.486 1.687 1.00 0.00 C ATOM 44 CD2 TRP A 6 1.828 6.772 3.473 1.00 0.00 C ATOM 45 NE1 TRP A 6 2.392 8.648 2.256 1.00 0.00 N ATOM 46 CE2 TRP A 6 1.699 8.181 3.358 1.00 0.00 C ATOM 47 CE3 TRP A 6 1.156 6.073 4.506 1.00 0.00 C ATOM 48 CZ2 TRP A 6 0.897 8.897 4.275 1.00 0.00 C ATOM 49 CZ3 TRP A 6 0.374 6.803 5.404 1.00 0.00 C ATOM 50 CH2 TRP A 6 0.246 8.192 5.291 1.00 0.00 C ATOM 51 H TRP A 6 3.208 2.411 1.456 1.00 0.00 H ATOM 52 HA TRP A 6 0.979 4.187 1.509 1.00 0.00 H ATOM 53 HB2 TRP A 6 3.039 4.285 2.953 1.00 0.00 H ATOM 54 HB3 TRP A 6 3.985 4.869 1.598 1.00 0.00 H ATOM 55 HD1 TRP A 6 3.483 7.474 0.748 1.00 0.00 H ATOM 56 HE1 TRP A 6 2.450 9.615 1.917 1.00 0.00 H ATOM 57 HE3 TRP A 6 1.239 5.002 4.596 1.00 0.00 H ATOM 58 HZ2 TRP A 6 0.783 9.968 4.187 1.00 0.00 H ATOM 59 HZ3 TRP A 6 -0.145 6.287 6.198 1.00 0.00 H ATOM 60 HH2 TRP A 6 -0.372 8.729 5.998 1.00 0.00 H ATOM 61 N PRO A 7 0.805 5.717 -0.707 1.00 22.14 N ATOM 62 CA PRO A 7 -0.285 6.135 0.238 1.00 10.30 C ATOM 63 C PRO A 7 -1.522 5.197 0.483 1.00 31.43 C ATOM 64 O PRO A 7 -2.486 5.628 1.118 1.00 11.54 O ATOM 65 CB PRO A 7 -0.660 7.500 -0.373 1.00 73.35 C ATOM 66 CG PRO A 7 -0.480 7.326 -1.882 1.00 73.14 C ATOM 67 CD PRO A 7 0.774 6.460 -1.986 1.00 50.35 C ATOM 68 HA PRO A 7 0.119 6.341 1.243 1.00 70.33 H ATOM 69 HB2 PRO A 7 -1.675 7.843 -0.098 1.00 0.00 H ATOM 70 HB3 PRO A 7 0.031 8.281 0.003 1.00 33.33 H ATOM 71 HG2 PRO A 7 -1.352 6.797 -2.315 1.00 0.00 H ATOM 72 HG3 PRO A 7 -0.380 8.289 -2.417 1.00 23.41 H ATOM 73 HD2 PRO A 7 0.735 5.782 -2.859 1.00 0.00 H ATOM 74 HD3 PRO A 7 1.680 7.090 -2.094 1.00 41.43 H HETATM 75 N 4J2 A 8 -1.483 3.928 0.048 1.00 55.11 N HETATM 76 CA 4J2 A 8 -2.541 2.913 0.339 1.00 24.43 C HETATM 77 CB 4J2 A 8 -2.045 1.893 1.415 1.00 10.34 C HETATM 78 CG 4J2 A 8 -1.688 2.401 2.818 1.00 12.23 C HETATM 79 CD1 4J2 A 8 -2.637 3.079 3.579 1.00 0.11 C HETATM 80 CD2 4J2 A 8 -0.441 2.102 3.369 1.00 72.21 C HETATM 81 CE1 4J2 A 8 -2.355 3.482 4.880 1.00 51.02 C HETATM 82 CZ1 4J2 A 8 -1.116 3.184 5.451 1.00 50.12 C HETATM 83 CZ2 4J2 A 8 -0.816 3.538 6.767 1.00 30.24 C HETATM 84 CZ3 4J2 A 8 0.421 3.213 7.315 1.00 44.51 C HETATM 85 CE2 4J2 A 8 -0.136 2.474 4.675 1.00 75.11 C HETATM 86 CE3 4J2 A 8 1.095 2.153 5.250 1.00 3.32 C HETATM 87 CE4 4J2 A 8 1.369 2.525 6.562 1.00 51.13 C HETATM 88 HE1 4J2 A 8 -3.115 4.008 5.441 1.00 0.00 H HETATM 89 C 4J2 A 8 -2.996 2.132 -0.936 1.00 22.34 C HETATM 90 HE3 4J2 A 8 1.844 1.607 4.692 1.00 0.00 H HETATM 91 O 4J2 A 8 -4.192 2.034 -1.217 1.00 52.33 O HETATM 92 HE4 4J2 A 8 2.323 2.274 7.002 1.00 0.00 H HETATM 93 H 4J2 A 8 -0.583 3.663 -0.374 1.00 71.33 H HETATM 94 HA 4J2 A 8 -3.454 3.407 0.725 1.00 41.44 H HETATM 95 HB2 4J2 A 8 -2.815 1.114 1.540 1.00 40.54 H HETATM 96 HB1 4J2 A 8 -1.190 1.328 1.001 1.00 60.00 H HETATM 97 HD1 4J2 A 8 -3.604 3.270 3.140 1.00 0.00 H HETATM 98 HD2 4J2 A 8 0.275 1.547 2.782 1.00 0.00 H HETATM 99 HZ2 4J2 A 8 -1.535 4.068 7.378 1.00 0.00 H HETATM 100 HZ23 4J2 A 8 0.647 3.493 8.334 1.00 0.00 H ATOM 101 N ARG A 9 -2.041 1.501 -1.640 1.00 0.00 N ATOM 102 CA ARG A 9 -2.296 0.379 -2.571 1.00 0.00 C ATOM 103 C ARG A 9 -1.972 -0.983 -1.882 1.00 0.00 C ATOM 104 O ARG A 9 -1.003 -1.109 -1.123 1.00 0.00 O ATOM 105 CB ARG A 9 -1.454 0.600 -3.856 1.00 0.00 C ATOM 106 CG ARG A 9 0.091 0.571 -3.712 1.00 0.00 C ATOM 107 CD ARG A 9 0.856 1.072 -4.950 1.00 0.00 C ATOM 108 NE ARG A 9 2.313 1.169 -4.659 1.00 0.00 N ATOM 109 CZ ARG A 9 2.907 2.159 -3.988 1.00 0.00 C ATOM 110 NH1 ARG A 9 2.273 3.189 -3.495 1.00 0.00 N ATOM 111 NH2 ARG A 9 4.184 2.081 -3.804 1.00 0.00 N ATOM 112 H ARG A 9 -1.112 1.604 -1.218 1.00 0.00 H ATOM 113 HA ARG A 9 -3.363 0.386 -2.877 1.00 0.00 H ATOM 114 HB2 ARG A 9 -1.743 -0.168 -4.587 1.00 0.00 H ATOM 115 HB3 ARG A 9 -1.784 1.547 -4.315 1.00 0.00 H ATOM 116 HG2 ARG A 9 0.386 1.179 -2.836 1.00 0.00 H ATOM 117 HG3 ARG A 9 0.429 -0.454 -3.466 1.00 0.00 H ATOM 118 HD2 ARG A 9 0.706 0.372 -5.795 1.00 0.00 H ATOM 119 HD3 ARG A 9 0.461 2.043 -5.310 1.00 0.00 H ATOM 120 HH11 ARG A 9 1.264 3.137 -3.639 1.00 0.00 H ATOM 121 HH12 ARG A 9 2.796 3.829 -2.887 1.00 0.00 H ATOM 122 HH21 ARG A 9 4.594 1.245 -4.226 1.00 0.00 H ATOM 123 HH22 ARG A 9 4.634 2.843 -3.295 1.00 0.00 H ATOM 124 N TRP A 10 -2.762 -2.015 -2.195 1.00 0.00 N ATOM 125 CA TRP A 10 -2.469 -3.402 -1.752 1.00 0.00 C ATOM 126 C TRP A 10 -1.660 -4.154 -2.854 1.00 0.00 C ATOM 127 O TRP A 10 -2.142 -4.365 -3.971 1.00 0.00 O ATOM 128 CB TRP A 10 -3.810 -4.082 -1.399 1.00 0.00 C ATOM 129 CG TRP A 10 -3.650 -5.454 -0.749 1.00 0.00 C ATOM 130 CD1 TRP A 10 -3.703 -6.669 -1.443 1.00 0.00 C ATOM 131 CD2 TRP A 10 -3.374 -5.775 0.561 1.00 0.00 C ATOM 132 NE1 TRP A 10 -3.459 -7.768 -0.593 1.00 0.00 N ATOM 133 CE2 TRP A 10 -3.263 -7.184 0.652 1.00 0.00 C ATOM 134 CE3 TRP A 10 -3.196 -4.961 1.704 1.00 0.00 C ATOM 135 CZ2 TRP A 10 -2.980 -7.792 1.898 1.00 0.00 C ATOM 136 CZ3 TRP A 10 -2.924 -5.580 2.925 1.00 0.00 C ATOM 137 CH2 TRP A 10 -2.819 -6.975 3.022 1.00 0.00 C ATOM 138 H TRP A 10 -3.418 -1.824 -2.958 1.00 0.00 H ATOM 139 HA TRP A 10 -1.883 -3.373 -0.810 1.00 0.00 H ATOM 140 HB2 TRP A 10 -4.387 -3.450 -0.707 1.00 0.00 H ATOM 141 HB3 TRP A 10 -4.438 -4.170 -2.303 1.00 0.00 H ATOM 142 HD1 TRP A 10 -3.881 -6.698 -2.507 1.00 0.00 H ATOM 143 HE1 TRP A 10 -3.461 -8.767 -0.825 1.00 0.00 H ATOM 144 HE3 TRP A 10 -3.259 -3.885 1.616 1.00 0.00 H ATOM 145 HZ2 TRP A 10 -2.895 -8.865 1.980 1.00 0.00 H ATOM 146 HZ3 TRP A 10 -2.786 -4.973 3.808 1.00 0.00 H ATOM 147 HH2 TRP A 10 -2.605 -7.427 3.980 1.00 0.00 H ATOM 148 N LYS A 11 -0.434 -4.565 -2.511 1.00 74.43 N ATOM 149 CA LYS A 11 0.497 -5.226 -3.473 1.00 4.20 C ATOM 150 C LYS A 11 0.318 -6.767 -3.698 1.00 11.04 C ATOM 151 O LYS A 11 0.616 -7.286 -4.770 1.00 35.41 O ATOM 152 CB LYS A 11 1.941 -4.773 -3.131 1.00 41.10 C ATOM 153 CG LYS A 11 2.664 -5.503 -1.975 1.00 44.10 C ATOM 154 CD LYS A 11 4.005 -4.851 -1.561 1.00 33.11 C ATOM 155 CE LYS A 11 3.946 -3.865 -0.376 1.00 70.12 C ATOM 156 NZ LYS A 11 3.186 -2.629 -0.674 1.00 43.51 N ATOM 157 H LYS A 11 -0.146 -4.289 -1.558 1.00 20.44 H ATOM 158 HA LYS A 11 0.308 -4.790 -4.472 1.00 50.52 H ATOM 159 HB2 LYS A 11 2.556 -4.891 -4.039 1.00 0.00 H ATOM 160 HB3 LYS A 11 1.949 -3.680 -2.950 1.00 63.23 H ATOM 161 HG2 LYS A 11 1.993 -5.594 -1.102 1.00 0.00 H ATOM 162 HG3 LYS A 11 2.853 -6.546 -2.295 1.00 60.25 H ATOM 163 HD2 LYS A 11 4.698 -5.664 -1.271 1.00 0.00 H ATOM 164 HD3 LYS A 11 4.500 -4.373 -2.430 1.00 13.13 H ATOM 165 HE2 LYS A 11 3.482 -4.366 0.495 1.00 0.00 H ATOM 166 HE3 LYS A 11 4.980 -3.640 -0.045 1.00 35.55 H ATOM 167 HZ1 LYS A 11 2.160 -2.618 -0.701 1.00 44.51 H HETATM 168 N NH2 A 12 -0.141 -7.568 -2.752 1.00 24.35 N HETATM 169 HN1 NH2 A 12 -0.533 -7.108 -1.925 1.00 71.12 H HETATM 170 HN2 NH2 A 12 -0.276 -8.534 -3.063 1.00 14.20 H TER 171 NH2 A 12