HETATM 1 C ACE A 3 0.562 -4.637 1.352 1.00 1.42 C HETATM 2 O ACE A 3 0.269 -4.637 0.156 1.00 25.23 O HETATM 3 CH3 ACE A 3 1.121 -5.883 2.014 1.00 11.32 C HETATM 4 H1 ACE A 3 0.416 -6.289 2.761 1.00 11.05 H HETATM 5 H2 ACE A 3 1.304 -6.675 1.267 1.00 31.00 H HETATM 6 H3 ACE A 3 2.085 -5.680 2.516 1.00 0.00 H HETATM 7 N NLE A 4 0.412 -3.591 2.164 1.00 24.32 N HETATM 8 CA NLE A 4 -0.067 -2.263 1.701 1.00 22.54 C HETATM 9 C NLE A 4 1.129 -1.271 1.506 1.00 51.12 C HETATM 10 O NLE A 4 1.947 -1.066 2.410 1.00 4.44 O HETATM 11 CB NLE A 4 -1.043 -1.658 2.740 1.00 51.41 C HETATM 12 CG NLE A 4 -2.354 -2.402 3.076 1.00 53.53 C HETATM 13 CD NLE A 4 -3.265 -1.647 4.066 1.00 13.25 C HETATM 14 CE NLE A 4 -2.717 -1.567 5.499 1.00 21.12 C HETATM 15 H NLE A 4 0.710 -3.739 3.130 1.00 73.41 H HETATM 16 HA NLE A 4 -0.628 -2.371 0.750 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.347 -0.677 2.355 1.00 12.25 H HETATM 18 HB3 NLE A 4 -0.482 -1.438 3.665 1.00 64.43 H HETATM 19 HG2 NLE A 4 -2.138 -3.416 3.462 1.00 24.40 H HETATM 20 HG3 NLE A 4 -2.924 -2.547 2.143 1.00 61.35 H HETATM 21 HD2 NLE A 4 -4.253 -2.146 4.093 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.473 -0.625 3.689 1.00 2.42 H HETATM 23 HE1 NLE A 4 -1.782 -0.978 5.552 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.440 -1.076 6.176 1.00 13.20 H HETATM 25 HE3 NLE A 4 -2.505 -2.570 5.914 1.00 14.24 H ATOM 26 N ASP A 5 1.183 -0.606 0.345 1.00 42.23 N ATOM 27 CA ASP A 5 2.220 0.415 0.029 1.00 14.33 C ATOM 28 C ASP A 5 1.643 1.856 0.185 1.00 70.04 C ATOM 29 O ASP A 5 0.671 2.217 -0.487 1.00 71.01 O ATOM 30 CB ASP A 5 2.725 0.179 -1.420 1.00 73.01 C ATOM 31 CG ASP A 5 3.646 -1.038 -1.594 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.637 -1.175 -0.877 1.00 41.31 O ATOM 33 H ASP A 5 0.396 -0.806 -0.293 1.00 62.10 H ATOM 34 HA ASP A 5 3.093 0.303 0.707 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.867 0.154 -2.120 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.317 1.052 -1.743 1.00 72.20 H ATOM 37 N TRP A 6 2.260 2.685 1.050 1.00 0.00 N ATOM 38 CA TRP A 6 1.813 4.086 1.321 1.00 0.00 C ATOM 39 C TRP A 6 1.773 5.019 0.043 1.00 0.00 C ATOM 40 O TRP A 6 2.744 4.988 -0.723 1.00 0.00 O ATOM 41 CB TRP A 6 2.754 4.638 2.434 1.00 0.00 C ATOM 42 CG TRP A 6 2.355 5.999 3.029 1.00 0.00 C ATOM 43 CD1 TRP A 6 2.693 7.264 2.494 1.00 0.00 C ATOM 44 CD2 TRP A 6 1.523 6.267 4.103 1.00 0.00 C ATOM 45 NE1 TRP A 6 2.088 8.316 3.209 1.00 0.00 N ATOM 46 CE2 TRP A 6 1.364 7.673 4.198 1.00 0.00 C ATOM 47 CE3 TRP A 6 0.830 5.408 4.992 1.00 0.00 C ATOM 48 CZ2 TRP A 6 0.510 8.227 5.178 1.00 0.00 C ATOM 49 CZ3 TRP A 6 -0.003 5.977 5.956 1.00 0.00 C ATOM 50 CH2 TRP A 6 -0.162 7.365 6.048 1.00 0.00 C ATOM 51 H TRP A 6 3.078 2.283 1.519 1.00 0.00 H ATOM 52 HA TRP A 6 0.797 4.010 1.751 1.00 0.00 H ATOM 53 HB2 TRP A 6 2.817 3.913 3.270 1.00 0.00 H ATOM 54 HB3 TRP A 6 3.788 4.707 2.048 1.00 0.00 H ATOM 55 HD1 TRP A 6 3.267 7.403 1.588 1.00 0.00 H ATOM 56 HE1 TRP A 6 2.136 9.324 3.023 1.00 0.00 H ATOM 57 HE3 TRP A 6 0.939 4.337 4.923 1.00 0.00 H ATOM 58 HZ2 TRP A 6 0.372 9.297 5.248 1.00 0.00 H ATOM 59 HZ3 TRP A 6 -0.538 5.335 6.639 1.00 0.00 H ATOM 60 HH2 TRP A 6 -0.819 7.776 6.802 1.00 0.00 H ATOM 61 N PRO A 7 0.718 5.847 -0.237 1.00 22.14 N ATOM 62 CA PRO A 7 -0.416 6.134 0.701 1.00 10.30 C ATOM 63 C PRO A 7 -1.644 5.159 0.776 1.00 31.43 C ATOM 64 O PRO A 7 -2.615 5.467 1.472 1.00 11.54 O ATOM 65 CB PRO A 7 -0.794 7.558 0.242 1.00 73.35 C ATOM 66 CG PRO A 7 -0.539 7.572 -1.266 1.00 73.14 C ATOM 67 CD PRO A 7 0.734 6.741 -1.415 1.00 50.35 C ATOM 68 HA PRO A 7 -0.057 6.220 1.740 1.00 70.33 H ATOM 69 HB2 PRO A 7 -1.828 7.846 0.506 1.00 0.00 H ATOM 70 HB3 PRO A 7 -0.139 8.298 0.743 1.00 33.33 H ATOM 71 HG2 PRO A 7 -1.380 7.089 -1.803 1.00 0.00 H ATOM 72 HG3 PRO A 7 -0.433 8.593 -1.675 1.00 23.41 H ATOM 73 HD2 PRO A 7 0.750 6.174 -2.366 1.00 0.00 H ATOM 74 HD3 PRO A 7 1.633 7.388 -1.400 1.00 41.43 H HETATM 75 N 4J2 A 8 -1.593 3.986 0.128 1.00 55.11 N HETATM 76 CA 4J2 A 8 -2.628 2.919 0.252 1.00 24.43 C HETATM 77 CB 4J2 A 8 -2.160 1.805 1.242 1.00 10.34 C HETATM 78 CG 4J2 A 8 -1.913 2.149 2.717 1.00 12.23 C HETATM 79 CD1 4J2 A 8 -2.948 2.658 3.497 1.00 0.11 C HETATM 80 CD2 4J2 A 8 -0.698 1.803 3.313 1.00 72.21 C HETATM 81 CE1 4J2 A 8 -2.796 2.819 4.871 1.00 51.02 C HETATM 82 CZ1 4J2 A 8 -1.600 2.448 5.489 1.00 50.12 C HETATM 83 CZ2 4J2 A 8 -1.429 2.558 6.870 1.00 30.24 C HETATM 84 CZ3 4J2 A 8 -0.233 2.165 7.461 1.00 44.51 C HETATM 85 CE2 4J2 A 8 -0.526 1.923 4.689 1.00 75.11 C HETATM 86 CE3 4J2 A 8 0.661 1.526 5.307 1.00 3.32 C HETATM 87 CE4 4J2 A 8 0.803 1.652 6.686 1.00 51.13 C HETATM 88 HE1 4J2 A 8 -3.622 3.213 5.446 1.00 0.00 H HETATM 89 C 4J2 A 8 -2.985 2.270 -1.125 1.00 22.34 C HETATM 90 HE3 4J2 A 8 1.479 1.117 4.729 1.00 0.00 H HETATM 91 O 4J2 A 8 -4.158 2.221 -1.502 1.00 52.33 O HETATM 92 HE4 4J2 A 8 1.727 1.346 7.159 1.00 0.00 H HETATM 93 H 4J2 A 8 -0.687 3.805 -0.325 1.00 71.33 H HETATM 94 HA 4J2 A 8 -3.576 3.349 0.635 1.00 41.44 H HETATM 95 HB2 4J2 A 8 -2.906 0.991 1.227 1.00 40.54 H HETATM 96 HB1 4J2 A 8 -1.262 1.313 0.826 1.00 60.00 H HETATM 97 HD1 4J2 A 8 -3.883 2.905 3.017 1.00 0.00 H HETATM 98 HD2 4J2 A 8 0.087 1.382 2.702 1.00 0.00 H HETATM 99 HZ2 4J2 A 8 -2.220 2.947 7.498 1.00 0.00 H HETATM 100 HZ23 4J2 A 8 -0.107 2.255 8.531 1.00 0.00 H ATOM 101 N ARG A 9 -1.985 1.693 -1.817 1.00 0.00 N ATOM 102 CA ARG A 9 -2.194 0.652 -2.849 1.00 0.00 C ATOM 103 C ARG A 9 -1.890 -0.761 -2.251 1.00 0.00 C ATOM 104 O ARG A 9 -1.022 -0.939 -1.388 1.00 0.00 O ATOM 105 CB ARG A 9 -1.272 1.018 -4.038 1.00 0.00 C ATOM 106 CG ARG A 9 -1.345 0.130 -5.303 1.00 0.00 C ATOM 107 CD ARG A 9 -2.659 0.199 -6.111 1.00 0.00 C ATOM 108 NE ARG A 9 -3.688 -0.743 -5.591 1.00 0.00 N ATOM 109 CZ ARG A 9 -4.939 -0.438 -5.245 1.00 0.00 C ATOM 110 NH1 ARG A 9 -5.446 0.766 -5.267 1.00 0.00 N ATOM 111 NH2 ARG A 9 -5.695 -1.411 -4.855 1.00 0.00 N ATOM 112 H ARG A 9 -1.082 1.753 -1.330 1.00 0.00 H ATOM 113 HA ARG A 9 -3.244 0.682 -3.205 1.00 0.00 H ATOM 114 HB2 ARG A 9 -1.470 2.062 -4.343 1.00 0.00 H ATOM 115 HB3 ARG A 9 -0.224 1.014 -3.683 1.00 0.00 H ATOM 116 HG2 ARG A 9 -0.520 0.459 -5.961 1.00 0.00 H ATOM 117 HG3 ARG A 9 -1.093 -0.919 -5.055 1.00 0.00 H ATOM 118 HD2 ARG A 9 -3.009 1.246 -6.192 1.00 0.00 H ATOM 119 HD3 ARG A 9 -2.447 -0.100 -7.156 1.00 0.00 H ATOM 120 HH11 ARG A 9 -4.795 1.492 -5.572 1.00 0.00 H ATOM 121 HH12 ARG A 9 -6.414 0.867 -4.962 1.00 0.00 H ATOM 122 HH21 ARG A 9 -5.232 -2.319 -4.923 1.00 0.00 H ATOM 123 HH22 ARG A 9 -6.662 -1.194 -4.609 1.00 0.00 H ATOM 124 N TRP A 10 -2.610 -1.771 -2.745 1.00 0.00 N ATOM 125 CA TRP A 10 -2.448 -3.176 -2.295 1.00 0.00 C ATOM 126 C TRP A 10 -1.519 -3.992 -3.250 1.00 0.00 C ATOM 127 O TRP A 10 -1.741 -4.073 -4.461 1.00 0.00 O ATOM 128 CB TRP A 10 -3.872 -3.782 -2.167 1.00 0.00 C ATOM 129 CG TRP A 10 -3.927 -5.249 -1.730 1.00 0.00 C ATOM 130 CD1 TRP A 10 -4.230 -6.318 -2.587 1.00 0.00 C ATOM 131 CD2 TRP A 10 -3.563 -5.823 -0.531 1.00 0.00 C ATOM 132 NE1 TRP A 10 -4.078 -7.565 -1.946 1.00 0.00 N ATOM 133 CE2 TRP A 10 -3.654 -7.230 -0.668 1.00 0.00 C ATOM 134 CE3 TRP A 10 -3.081 -5.246 0.666 1.00 0.00 C ATOM 135 CZ2 TRP A 10 -3.260 -8.071 0.400 1.00 0.00 C ATOM 136 CZ3 TRP A 10 -2.708 -6.091 1.710 1.00 0.00 C ATOM 137 CH2 TRP A 10 -2.795 -7.484 1.580 1.00 0.00 C ATOM 138 H TRP A 10 -3.060 -1.524 -3.640 1.00 0.00 H ATOM 139 HA TRP A 10 -2.020 -3.186 -1.271 1.00 0.00 H ATOM 140 HB2 TRP A 10 -4.471 -3.193 -1.453 1.00 0.00 H ATOM 141 HB3 TRP A 10 -4.398 -3.680 -3.131 1.00 0.00 H ATOM 142 HD1 TRP A 10 -4.471 -6.162 -3.628 1.00 0.00 H ATOM 143 HE1 TRP A 10 -4.148 -8.503 -2.356 1.00 0.00 H ATOM 144 HE3 TRP A 10 -2.982 -4.176 0.745 1.00 0.00 H ATOM 145 HZ2 TRP A 10 -3.308 -9.145 0.299 1.00 0.00 H ATOM 146 HZ3 TRP A 10 -2.327 -5.656 2.624 1.00 0.00 H ATOM 147 HH2 TRP A 10 -2.489 -8.114 2.403 1.00 0.00 H ATOM 148 N LYS A 11 -0.534 -4.669 -2.648 1.00 74.43 N ATOM 149 CA LYS A 11 0.240 -5.758 -3.302 1.00 4.20 C ATOM 150 C LYS A 11 -0.089 -7.153 -2.675 1.00 11.04 C ATOM 151 O LYS A 11 -0.481 -8.086 -3.370 1.00 35.41 O ATOM 152 CB LYS A 11 1.746 -5.396 -3.234 1.00 41.10 C ATOM 153 CG LYS A 11 2.181 -4.286 -4.223 1.00 44.10 C ATOM 154 CD LYS A 11 3.655 -3.844 -4.103 1.00 33.11 C ATOM 155 CE LYS A 11 4.063 -3.153 -2.787 1.00 70.12 C ATOM 156 NZ LYS A 11 3.315 -1.898 -2.558 1.00 43.51 N ATOM 157 H LYS A 11 -0.399 -4.459 -1.650 1.00 20.44 H ATOM 158 HA LYS A 11 -0.027 -5.849 -4.372 1.00 50.52 H ATOM 159 HB2 LYS A 11 2.003 -5.114 -2.195 1.00 0.00 H ATOM 160 HB3 LYS A 11 2.343 -6.300 -3.439 1.00 63.23 H ATOM 161 HG2 LYS A 11 2.004 -4.634 -5.257 1.00 0.00 H ATOM 162 HG3 LYS A 11 1.528 -3.400 -4.102 1.00 60.25 H ATOM 163 HD2 LYS A 11 4.308 -4.722 -4.262 1.00 0.00 H ATOM 164 HD3 LYS A 11 3.893 -3.167 -4.946 1.00 13.13 H ATOM 165 HE2 LYS A 11 3.912 -3.842 -1.934 1.00 0.00 H ATOM 166 HE3 LYS A 11 5.151 -2.948 -2.818 1.00 35.55 H ATOM 167 HZ1 LYS A 11 2.447 -1.676 -3.053 1.00 44.51 H HETATM 168 N NH2 A 12 0.048 -7.385 -1.378 1.00 24.35 N HETATM 169 HN1 NH2 A 12 0.188 -6.555 -0.789 1.00 71.12 H HETATM 170 HN2 NH2 A 12 -0.314 -8.299 -1.097 1.00 14.20 H TER 171 NH2 A 12