HETATM 1 C ACE A 3 1.715 -3.984 2.706 1.00 1.42 C HETATM 2 O ACE A 3 0.781 -4.504 2.097 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.879 -4.819 3.206 1.00 11.32 C HETATM 4 H1 ACE A 3 2.730 -5.886 2.965 1.00 11.05 H HETATM 5 H2 ACE A 3 3.830 -4.505 2.740 1.00 31.00 H HETATM 6 H3 ACE A 3 2.987 -4.745 4.304 1.00 0.00 H HETATM 7 N NLE A 4 1.803 -2.685 2.978 1.00 24.32 N HETATM 8 CA NLE A 4 0.774 -1.687 2.569 1.00 22.54 C HETATM 9 C NLE A 4 1.488 -0.358 2.174 1.00 51.12 C HETATM 10 O NLE A 4 2.218 0.247 2.965 1.00 4.44 O HETATM 11 CB NLE A 4 -0.231 -1.499 3.727 1.00 51.41 C HETATM 12 CG NLE A 4 -1.463 -0.615 3.436 1.00 53.53 C HETATM 13 CD NLE A 4 -2.368 -0.449 4.672 1.00 13.25 C HETATM 14 CE NLE A 4 -3.418 0.655 4.495 1.00 21.12 C HETATM 15 H NLE A 4 2.649 -2.417 3.491 1.00 73.41 H HETATM 16 HA NLE A 4 0.207 -2.078 1.699 1.00 13.34 H HETATM 17 HB2 NLE A 4 0.316 -1.089 4.594 1.00 12.25 H HETATM 18 HB3 NLE A 4 -0.589 -2.496 4.030 1.00 64.43 H HETATM 19 HG2 NLE A 4 -2.045 -1.021 2.588 1.00 24.40 H HETATM 20 HG3 NLE A 4 -1.115 0.377 3.109 1.00 61.35 H HETATM 21 HD2 NLE A 4 -1.758 -0.204 5.562 1.00 34.12 H HETATM 22 HD3 NLE A 4 -2.868 -1.408 4.903 1.00 2.42 H HETATM 23 HE1 NLE A 4 -4.082 0.723 5.376 1.00 35.54 H HETATM 24 HE2 NLE A 4 -2.946 1.650 4.381 1.00 13.20 H HETATM 25 HE3 NLE A 4 -4.058 0.487 3.610 1.00 14.24 H ATOM 26 N ASP A 5 1.272 0.073 0.929 1.00 42.23 N ATOM 27 CA ASP A 5 2.115 1.110 0.270 1.00 14.33 C ATOM 28 C ASP A 5 1.280 2.372 -0.158 1.00 70.04 C ATOM 29 O ASP A 5 0.305 2.193 -0.900 1.00 71.01 O ATOM 30 CB ASP A 5 2.800 0.483 -0.969 1.00 73.01 C ATOM 31 CG ASP A 5 3.853 -0.597 -0.674 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.846 -0.324 0.000 1.00 41.31 O ATOM 33 H ASP A 5 0.628 -0.543 0.410 1.00 62.10 H ATOM 34 HA ASP A 5 2.928 1.422 0.953 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.026 0.126 -1.676 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.326 1.284 -1.510 1.00 72.20 H ATOM 37 N PRO A 6 1.603 3.646 0.236 1.00 64.04 N ATOM 38 CA PRO A 6 0.776 4.837 -0.116 1.00 44.43 C ATOM 39 C PRO A 6 0.746 5.216 -1.644 1.00 31.44 C ATOM 40 O PRO A 6 1.799 5.109 -2.284 1.00 1.02 O ATOM 41 CB PRO A 6 1.372 5.940 0.783 1.00 53.11 C ATOM 42 CG PRO A 6 2.804 5.494 1.077 1.00 4.15 C ATOM 43 CD PRO A 6 2.717 3.971 1.147 1.00 41.55 C ATOM 44 HA PRO A 6 -0.248 4.648 0.242 1.00 15.04 H ATOM 45 HB2 PRO A 6 1.329 6.950 0.332 1.00 0.00 H ATOM 46 HB3 PRO A 6 0.798 6.003 1.729 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.470 5.795 0.244 1.00 0.00 H ATOM 48 HG3 PRO A 6 3.214 5.942 2.000 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.673 3.507 0.841 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.479 3.627 2.175 1.00 72.34 H ATOM 51 N PRO A 7 -0.392 5.651 -2.278 1.00 22.14 N ATOM 52 CA PRO A 7 -1.678 6.007 -1.588 1.00 10.30 C ATOM 53 C PRO A 7 -2.647 4.912 -1.013 1.00 31.43 C ATOM 54 O PRO A 7 -3.720 5.269 -0.520 1.00 11.54 O ATOM 55 CB PRO A 7 -2.403 6.843 -2.671 1.00 73.35 C ATOM 56 CG PRO A 7 -1.322 7.323 -3.635 1.00 73.14 C ATOM 57 CD PRO A 7 -0.348 6.151 -3.670 1.00 50.35 C ATOM 58 HA PRO A 7 -1.441 6.685 -0.744 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.136 6.229 -3.231 1.00 0.00 H ATOM 60 HB3 PRO A 7 -2.978 7.682 -2.233 1.00 33.33 H ATOM 61 HG2 PRO A 7 -1.720 7.577 -4.635 1.00 0.00 H ATOM 62 HG3 PRO A 7 -0.822 8.230 -3.241 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.682 5.360 -4.369 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.659 6.478 -4.001 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.289 3.617 -1.039 1.00 55.11 N HETATM 66 CA 4J2 A 8 -3.086 2.519 -0.421 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.491 2.041 0.938 1.00 10.34 C HETATM 68 CG 4J2 A 8 -2.106 3.065 2.012 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.835 3.020 2.578 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -3.015 4.027 2.432 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.438 3.946 3.531 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -1.321 4.944 3.934 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.934 5.910 4.858 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.827 6.906 5.243 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.646 4.987 3.376 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.524 5.996 3.778 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -3.112 6.948 4.708 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.233 1.295 -1.381 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.563 3.883 3.934 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.343 0.808 -1.603 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.525 6.055 3.372 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.795 7.728 5.013 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.303 3.453 -1.269 1.00 71.33 H HETATM 84 HA 4J2 A 8 -4.106 2.871 -0.196 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.220 1.353 1.389 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.618 1.398 0.741 1.00 60.00 H HETATM 87 HD1 4J2 A 8 -0.144 2.266 2.245 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.983 4.005 1.960 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.068 5.886 5.266 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -1.519 7.655 5.960 1.00 0.00 H ATOM 91 N ARG A 9 -2.100 0.758 -1.872 1.00 0.00 N ATOM 92 CA ARG A 9 -2.028 -0.589 -2.490 1.00 0.00 C ATOM 93 C ARG A 9 -1.567 -1.637 -1.429 1.00 0.00 C ATOM 94 O ARG A 9 -0.653 -1.393 -0.629 1.00 0.00 O ATOM 95 CB ARG A 9 -1.024 -0.559 -3.668 1.00 0.00 C ATOM 96 CG ARG A 9 -1.434 0.291 -4.898 1.00 0.00 C ATOM 97 CD ARG A 9 -0.390 0.300 -6.032 1.00 0.00 C ATOM 98 NE ARG A 9 -0.335 -1.017 -6.721 1.00 0.00 N ATOM 99 CZ ARG A 9 0.509 -1.342 -7.698 1.00 0.00 C ATOM 100 NH1 ARG A 9 1.411 -0.535 -8.194 1.00 0.00 N ATOM 101 NH2 ARG A 9 0.423 -2.538 -8.182 1.00 0.00 N ATOM 102 H ARG A 9 -1.253 1.253 -1.555 1.00 0.00 H ATOM 103 HA ARG A 9 -3.021 -0.877 -2.896 1.00 0.00 H ATOM 104 HB2 ARG A 9 -0.034 -0.239 -3.294 1.00 0.00 H ATOM 105 HB3 ARG A 9 -0.862 -1.596 -4.017 1.00 0.00 H ATOM 106 HG2 ARG A 9 -2.409 -0.054 -5.295 1.00 0.00 H ATOM 107 HG3 ARG A 9 -1.611 1.336 -4.575 1.00 0.00 H ATOM 108 HD2 ARG A 9 -0.657 1.086 -6.766 1.00 0.00 H ATOM 109 HD3 ARG A 9 0.605 0.579 -5.631 1.00 0.00 H ATOM 110 HH11 ARG A 9 1.416 0.392 -7.765 1.00 0.00 H ATOM 111 HH12 ARG A 9 1.999 -0.898 -8.944 1.00 0.00 H ATOM 112 HH21 ARG A 9 -0.310 -3.087 -7.730 1.00 0.00 H ATOM 113 HH22 ARG A 9 1.064 -2.799 -8.933 1.00 0.00 H ATOM 114 N TRP A 10 -2.186 -2.824 -1.451 1.00 0.00 N ATOM 115 CA TRP A 10 -1.821 -3.939 -0.545 1.00 0.00 C ATOM 116 C TRP A 10 -0.877 -4.944 -1.275 1.00 0.00 C ATOM 117 O TRP A 10 -1.190 -5.495 -2.334 1.00 0.00 O ATOM 118 CB TRP A 10 -3.134 -4.577 -0.033 1.00 0.00 C ATOM 119 CG TRP A 10 -2.945 -5.759 0.922 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.940 -7.106 0.520 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.620 -5.765 2.264 1.00 0.00 C ATOM 122 NE1 TRP A 10 -2.625 -7.970 1.588 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.422 -7.113 2.658 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.423 -4.708 3.185 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -2.019 -7.410 3.980 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -2.034 -5.027 4.488 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.833 -6.357 4.880 1.00 0.00 C ATOM 128 H TRP A 10 -2.716 -3.011 -2.306 1.00 0.00 H ATOM 129 HA TRP A 10 -1.316 -3.534 0.359 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.740 -3.811 0.480 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.744 -4.906 -0.893 1.00 0.00 H ATOM 132 HD1 TRP A 10 -3.083 -7.403 -0.511 1.00 0.00 H ATOM 133 HE1 TRP A 10 -2.509 -8.990 1.567 1.00 0.00 H ATOM 134 HE3 TRP A 10 -2.559 -3.680 2.882 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -1.853 -8.432 4.287 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -1.881 -4.234 5.206 1.00 0.00 H ATOM 137 HH2 TRP A 10 -1.526 -6.572 5.893 1.00 0.00 H ATOM 138 N LYS A 11 0.256 -5.204 -0.627 1.00 74.43 N ATOM 139 CA LYS A 11 1.206 -6.284 -1.002 1.00 4.20 C ATOM 140 C LYS A 11 1.050 -7.561 -0.112 1.00 11.04 C ATOM 141 O LYS A 11 0.948 -8.676 -0.616 1.00 35.41 O ATOM 142 CB LYS A 11 2.638 -5.684 -0.953 1.00 41.10 C ATOM 143 CG LYS A 11 2.978 -4.745 -2.136 1.00 44.10 C ATOM 144 CD LYS A 11 4.355 -4.045 -2.034 1.00 33.11 C ATOM 145 CE LYS A 11 4.512 -2.962 -0.944 1.00 70.12 C ATOM 146 NZ LYS A 11 3.618 -1.808 -1.184 1.00 43.51 N ATOM 147 H LYS A 11 0.337 -4.702 0.268 1.00 20.44 H ATOM 148 HA LYS A 11 1.019 -6.623 -2.042 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.791 -5.162 0.012 1.00 0.00 H ATOM 150 HB3 LYS A 11 3.374 -6.506 -0.941 1.00 63.23 H ATOM 151 HG2 LYS A 11 2.945 -5.331 -3.075 1.00 0.00 H ATOM 152 HG3 LYS A 11 2.185 -3.984 -2.260 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.137 -4.813 -1.889 1.00 0.00 H ATOM 154 HD3 LYS A 11 4.595 -3.591 -3.014 1.00 13.13 H ATOM 155 HE2 LYS A 11 4.318 -3.385 0.061 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.572 -2.634 -0.920 1.00 35.55 H ATOM 157 HZ1 LYS A 11 2.743 -1.890 -1.709 1.00 44.51 H HETATM 158 N NH2 A 12 1.034 -7.498 1.210 1.00 24.35 N HETATM 159 HN1 NH2 A 12 0.911 -6.558 1.609 1.00 71.12 H HETATM 160 HN2 NH2 A 12 0.810 -8.395 1.649 1.00 14.20 H TER 161 NH2 A 12