HETATM 1 C ACE A 3 0.407 -4.489 1.769 1.00 1.42 C HETATM 2 O ACE A 3 -0.194 -4.548 0.699 1.00 25.23 O HETATM 3 CH3 ACE A 3 0.929 -5.748 2.431 1.00 11.32 C HETATM 4 H1 ACE A 3 2.026 -5.715 2.556 1.00 11.05 H HETATM 5 H2 ACE A 3 0.465 -5.905 3.421 1.00 31.00 H HETATM 6 H3 ACE A 3 0.692 -6.633 1.814 1.00 0.00 H HETATM 7 N NLE A 4 0.640 -3.355 2.429 1.00 24.32 N HETATM 8 CA NLE A 4 0.104 -2.036 2.000 1.00 22.54 C HETATM 9 C NLE A 4 1.229 -0.976 1.780 1.00 51.12 C HETATM 10 O NLE A 4 1.956 -0.595 2.702 1.00 4.44 O HETATM 11 CB NLE A 4 -0.992 -1.584 2.998 1.00 51.41 C HETATM 12 CG NLE A 4 -0.646 -1.443 4.504 1.00 53.53 C HETATM 13 CD NLE A 4 -1.804 -0.912 5.373 1.00 13.25 C HETATM 14 CE NLE A 4 -2.958 -1.906 5.568 1.00 21.12 C HETATM 15 H NLE A 4 1.011 -3.478 3.372 1.00 73.41 H HETATM 16 HA NLE A 4 -0.433 -2.154 1.036 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.835 -2.280 2.880 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.390 -0.623 2.645 1.00 64.43 H HETATM 19 HG2 NLE A 4 0.214 -0.754 4.614 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.291 -2.408 4.914 1.00 61.35 H HETATM 21 HD2 NLE A 4 -2.192 0.035 4.952 1.00 34.12 H HETATM 22 HD3 NLE A 4 -1.402 -0.633 6.367 1.00 2.42 H HETATM 23 HE1 NLE A 4 -3.728 -1.495 6.247 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.465 -2.143 4.614 1.00 13.20 H HETATM 25 HE3 NLE A 4 -2.610 -2.859 6.008 1.00 14.24 H ATOM 26 N ASP A 5 1.336 -0.476 0.540 1.00 42.23 N ATOM 27 CA ASP A 5 2.330 0.567 0.155 1.00 14.33 C ATOM 28 C ASP A 5 1.701 1.995 0.223 1.00 70.04 C ATOM 29 O ASP A 5 0.702 2.261 -0.451 1.00 71.01 O ATOM 30 CB ASP A 5 2.822 0.275 -1.288 1.00 73.01 C ATOM 31 CG ASP A 5 3.796 -0.900 -1.433 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.962 -0.780 -1.053 1.00 41.31 O ATOM 33 H ASP A 5 0.655 -0.866 -0.133 1.00 62.10 H ATOM 34 HA ASP A 5 3.211 0.525 0.829 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.962 0.175 -1.980 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.366 1.155 -1.670 1.00 72.20 H ATOM 37 N TRP A 6 2.299 2.924 0.996 1.00 0.00 N ATOM 38 CA TRP A 6 1.793 4.325 1.144 1.00 0.00 C ATOM 39 C TRP A 6 1.650 5.121 -0.218 1.00 0.00 C ATOM 40 O TRP A 6 2.592 5.069 -1.017 1.00 0.00 O ATOM 41 CB TRP A 6 2.743 5.040 2.153 1.00 0.00 C ATOM 42 CG TRP A 6 2.307 6.449 2.596 1.00 0.00 C ATOM 43 CD1 TRP A 6 2.567 7.649 1.896 1.00 0.00 C ATOM 44 CD2 TRP A 6 1.504 6.815 3.665 1.00 0.00 C ATOM 45 NE1 TRP A 6 1.945 8.757 2.501 1.00 0.00 N ATOM 46 CE2 TRP A 6 1.289 8.216 3.593 1.00 0.00 C ATOM 47 CE3 TRP A 6 0.883 6.047 4.680 1.00 0.00 C ATOM 48 CZ2 TRP A 6 0.450 8.854 4.534 1.00 0.00 C ATOM 49 CZ3 TRP A 6 0.065 6.701 5.603 1.00 0.00 C ATOM 50 CH2 TRP A 6 -0.149 8.083 5.532 1.00 0.00 C ATOM 51 H TRP A 6 3.144 2.602 1.479 1.00 0.00 H ATOM 52 HA TRP A 6 0.802 4.248 1.628 1.00 0.00 H ATOM 53 HB2 TRP A 6 2.861 4.420 3.063 1.00 0.00 H ATOM 54 HB3 TRP A 6 3.761 5.101 1.724 1.00 0.00 H ATOM 55 HD1 TRP A 6 3.095 7.696 0.954 1.00 0.00 H ATOM 56 HE1 TRP A 6 1.943 9.736 2.192 1.00 0.00 H ATOM 57 HE3 TRP A 6 1.034 4.982 4.738 1.00 0.00 H ATOM 58 HZ2 TRP A 6 0.271 9.919 4.479 1.00 0.00 H ATOM 59 HZ3 TRP A 6 -0.415 6.130 6.384 1.00 0.00 H ATOM 60 HH2 TRP A 6 -0.793 8.559 6.258 1.00 0.00 H ATOM 61 N PRO A 7 0.536 5.855 -0.534 1.00 22.14 N ATOM 62 CA PRO A 7 -0.589 6.158 0.413 1.00 10.30 C ATOM 63 C PRO A 7 -1.764 5.129 0.587 1.00 31.43 C ATOM 64 O PRO A 7 -2.765 5.452 1.231 1.00 11.54 O ATOM 65 CB PRO A 7 -1.046 7.519 -0.150 1.00 73.35 C ATOM 66 CG PRO A 7 -0.847 7.413 -1.662 1.00 73.14 C ATOM 67 CD PRO A 7 0.459 6.631 -1.791 1.00 50.35 C ATOM 68 HA PRO A 7 -0.210 6.343 1.433 1.00 70.33 H ATOM 69 HB2 PRO A 7 -2.081 7.787 0.132 1.00 0.00 H ATOM 70 HB3 PRO A 7 -0.405 8.327 0.260 1.00 33.33 H ATOM 71 HG2 PRO A 7 -1.681 6.846 -2.120 1.00 0.00 H ATOM 72 HG3 PRO A 7 -0.806 8.398 -2.162 1.00 23.41 H ATOM 73 HD2 PRO A 7 0.464 5.975 -2.683 1.00 0.00 H ATOM 74 HD3 PRO A 7 1.325 7.318 -1.879 1.00 41.43 H HETATM 75 N 4J2 A 8 -1.627 3.897 0.077 1.00 55.11 N HETATM 76 CA 4J2 A 8 -2.588 2.778 0.308 1.00 24.43 C HETATM 77 CB 4J2 A 8 -2.045 1.800 1.396 1.00 10.34 C HETATM 78 CG 4J2 A 8 -1.767 2.316 2.815 1.00 12.23 C HETATM 79 CD1 4J2 A 8 -2.795 2.882 3.565 1.00 0.11 C HETATM 80 CD2 4J2 A 8 -0.516 2.107 3.393 1.00 72.21 C HETATM 81 CE1 4J2 A 8 -2.590 3.249 4.892 1.00 51.02 C HETATM 82 CZ1 4J2 A 8 -1.350 3.030 5.495 1.00 50.12 C HETATM 83 CZ2 4J2 A 8 -1.126 3.345 6.836 1.00 30.24 C HETATM 84 CZ3 4J2 A 8 0.115 3.098 7.415 1.00 44.51 C HETATM 85 CE2 4J2 A 8 -0.287 2.444 4.725 1.00 75.11 C HETATM 86 CE3 4J2 A 8 0.946 2.198 5.332 1.00 3.32 C HETATM 87 CE4 4J2 A 8 1.142 2.528 6.669 1.00 51.13 C HETATM 88 HE1 4J2 A 8 -3.411 3.684 5.447 1.00 0.00 H HETATM 89 C 4J2 A 8 -2.877 1.965 -0.997 1.00 22.34 C HETATM 90 HE3 4J2 A 8 1.758 1.746 4.778 1.00 0.00 H HETATM 91 O 4J2 A 8 -4.039 1.732 -1.338 1.00 52.33 O HETATM 92 HE4 4J2 A 8 2.100 2.336 7.133 1.00 0.00 H HETATM 93 H 4J2 A 8 -0.708 3.731 -0.354 1.00 71.33 H HETATM 94 HA 4J2 A 8 -3.566 3.175 0.645 1.00 41.44 H HETATM 95 HB2 4J2 A 8 -2.758 0.964 1.490 1.00 40.54 H HETATM 96 HB1 4J2 A 8 -1.137 1.303 1.009 1.00 60.00 H HETATM 97 HD1 4J2 A 8 -3.759 3.016 3.099 1.00 0.00 H HETATM 98 HD2 4J2 A 8 0.261 1.632 2.813 1.00 0.00 H HETATM 99 HZ2 4J2 A 8 -1.908 3.784 7.442 1.00 0.00 H HETATM 100 HZ23 4J2 A 8 0.282 3.347 8.454 1.00 0.00 H ATOM 101 N ARG A 9 -1.814 1.465 -1.655 1.00 0.00 N ATOM 102 CA ARG A 9 -1.900 0.476 -2.754 1.00 0.00 C ATOM 103 C ARG A 9 -1.566 -0.931 -2.168 1.00 0.00 C ATOM 104 O ARG A 9 -0.506 -1.144 -1.565 1.00 0.00 O ATOM 105 CB ARG A 9 -0.896 0.840 -3.882 1.00 0.00 C ATOM 106 CG ARG A 9 -1.019 2.222 -4.582 1.00 0.00 C ATOM 107 CD ARG A 9 -2.290 2.455 -5.430 1.00 0.00 C ATOM 108 NE ARG A 9 -3.480 2.797 -4.605 1.00 0.00 N ATOM 109 CZ ARG A 9 -3.797 4.009 -4.146 1.00 0.00 C ATOM 110 NH1 ARG A 9 -3.111 5.095 -4.391 1.00 0.00 N ATOM 111 NH2 ARG A 9 -4.851 4.105 -3.404 1.00 0.00 N ATOM 112 H ARG A 9 -0.926 1.666 -1.176 1.00 0.00 H ATOM 113 HA ARG A 9 -2.918 0.480 -3.197 1.00 0.00 H ATOM 114 HB2 ARG A 9 0.126 0.748 -3.472 1.00 0.00 H ATOM 115 HB3 ARG A 9 -0.943 0.055 -4.656 1.00 0.00 H ATOM 116 HG2 ARG A 9 -0.907 3.032 -3.835 1.00 0.00 H ATOM 117 HG3 ARG A 9 -0.141 2.341 -5.246 1.00 0.00 H ATOM 118 HD2 ARG A 9 -2.110 3.238 -6.192 1.00 0.00 H ATOM 119 HD3 ARG A 9 -2.519 1.551 -6.026 1.00 0.00 H ATOM 120 HH11 ARG A 9 -2.291 4.939 -4.979 1.00 0.00 H ATOM 121 HH12 ARG A 9 -3.465 5.965 -3.994 1.00 0.00 H ATOM 122 HH21 ARG A 9 -5.262 3.190 -3.206 1.00 0.00 H ATOM 123 HH22 ARG A 9 -5.079 5.017 -3.009 1.00 0.00 H ATOM 124 N TRP A 10 -2.477 -1.895 -2.343 1.00 0.00 N ATOM 125 CA TRP A 10 -2.315 -3.261 -1.788 1.00 0.00 C ATOM 126 C TRP A 10 -1.432 -4.178 -2.702 1.00 0.00 C ATOM 127 O TRP A 10 -1.588 -4.226 -3.927 1.00 0.00 O ATOM 128 CB TRP A 10 -3.742 -3.816 -1.532 1.00 0.00 C ATOM 129 CG TRP A 10 -3.769 -5.154 -0.794 1.00 0.00 C ATOM 130 CD1 TRP A 10 -3.833 -6.399 -1.432 1.00 0.00 C ATOM 131 CD2 TRP A 10 -3.568 -5.423 0.544 1.00 0.00 C ATOM 132 NE1 TRP A 10 -3.663 -7.464 -0.525 1.00 0.00 N ATOM 133 CE2 TRP A 10 -3.490 -6.830 0.698 1.00 0.00 C ATOM 134 CE3 TRP A 10 -3.373 -4.563 1.650 1.00 0.00 C ATOM 135 CZ2 TRP A 10 -3.203 -7.386 1.966 1.00 0.00 C ATOM 136 CZ3 TRP A 10 -3.102 -5.135 2.895 1.00 0.00 C ATOM 137 CH2 TRP A 10 -3.016 -6.525 3.051 1.00 0.00 C ATOM 138 H TRP A 10 -3.247 -1.649 -2.968 1.00 0.00 H ATOM 139 HA TRP A 10 -1.831 -3.174 -0.792 1.00 0.00 H ATOM 140 HB2 TRP A 10 -4.337 -3.102 -0.940 1.00 0.00 H ATOM 141 HB3 TRP A 10 -4.288 -3.915 -2.488 1.00 0.00 H ATOM 142 HD1 TRP A 10 -3.904 -6.474 -2.506 1.00 0.00 H ATOM 143 HE1 TRP A 10 -3.558 -8.465 -0.730 1.00 0.00 H ATOM 144 HE3 TRP A 10 -3.419 -3.492 1.520 1.00 0.00 H ATOM 145 HZ2 TRP A 10 -3.122 -8.457 2.090 1.00 0.00 H ATOM 146 HZ3 TRP A 10 -2.941 -4.495 3.750 1.00 0.00 H ATOM 147 HH2 TRP A 10 -2.795 -6.938 4.025 1.00 0.00 H ATOM 148 N LYS A 11 -0.541 -4.953 -2.069 1.00 74.43 N ATOM 149 CA LYS A 11 0.350 -5.924 -2.760 1.00 4.20 C ATOM 150 C LYS A 11 -0.404 -7.235 -3.163 1.00 11.04 C ATOM 151 O LYS A 11 -0.407 -8.257 -2.480 1.00 35.41 O ATOM 152 CB LYS A 11 1.565 -6.204 -1.829 1.00 41.10 C ATOM 153 CG LYS A 11 2.489 -5.020 -1.450 1.00 44.10 C ATOM 154 CD LYS A 11 3.298 -4.422 -2.622 1.00 33.11 C ATOM 155 CE LYS A 11 4.156 -3.204 -2.230 1.00 70.12 C ATOM 156 NZ LYS A 11 3.315 -2.009 -1.997 1.00 43.51 N ATOM 157 H LYS A 11 -0.462 -4.793 -1.050 1.00 20.44 H ATOM 158 HA LYS A 11 0.752 -5.467 -3.683 1.00 50.52 H ATOM 159 HB2 LYS A 11 1.185 -6.657 -0.892 1.00 0.00 H ATOM 160 HB3 LYS A 11 2.185 -6.997 -2.283 1.00 63.23 H ATOM 161 HG2 LYS A 11 1.888 -4.227 -0.964 1.00 0.00 H ATOM 162 HG3 LYS A 11 3.189 -5.357 -0.662 1.00 60.25 H ATOM 163 HD2 LYS A 11 3.963 -5.206 -3.031 1.00 0.00 H ATOM 164 HD3 LYS A 11 2.631 -4.148 -3.461 1.00 13.13 H ATOM 165 HE2 LYS A 11 4.773 -3.439 -1.339 1.00 0.00 H ATOM 166 HE3 LYS A 11 4.880 -2.985 -3.040 1.00 35.55 H ATOM 167 HZ1 LYS A 11 2.311 -1.988 -2.197 1.00 44.51 H HETATM 168 N NH2 A 12 -1.084 -7.259 -4.292 1.00 24.35 N HETATM 169 HN1 NH2 A 12 -1.627 -8.118 -4.404 1.00 71.12 H HETATM 170 HN2 NH2 A 12 -1.282 -6.336 -4.696 1.00 14.20 H TER 171 NH2 A 12