HETATM 1 C ACE A 3 1.337 -3.672 2.862 1.00 1.42 C HETATM 2 O ACE A 3 1.046 -4.075 1.736 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.052 -4.578 3.847 1.00 11.32 C HETATM 4 H1 ACE A 3 2.352 -5.523 3.362 1.00 11.05 H HETATM 5 H2 ACE A 3 2.969 -4.108 4.243 1.00 31.00 H HETATM 6 H3 ACE A 3 1.395 -4.837 4.697 1.00 0.00 H HETATM 7 N NLE A 4 1.052 -2.454 3.323 1.00 24.32 N HETATM 8 CA NLE A 4 0.333 -1.419 2.532 1.00 22.54 C HETATM 9 C NLE A 4 1.280 -0.271 2.061 1.00 51.12 C HETATM 10 O NLE A 4 1.951 0.383 2.866 1.00 4.44 O HETATM 11 CB NLE A 4 -0.890 -0.940 3.358 1.00 51.41 C HETATM 12 CG NLE A 4 -0.650 -0.107 4.647 1.00 53.53 C HETATM 13 CD NLE A 4 -1.847 -0.055 5.613 1.00 13.25 C HETATM 14 CE NLE A 4 -2.932 0.947 5.204 1.00 21.12 C HETATM 15 H NLE A 4 1.266 -2.303 4.310 1.00 73.41 H HETATM 16 HA NLE A 4 -0.106 -1.897 1.631 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.482 -1.836 3.602 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.553 -0.366 2.696 1.00 64.43 H HETATM 19 HG2 NLE A 4 -0.316 0.915 4.391 1.00 24.40 H HETATM 20 HG3 NLE A 4 0.205 -0.524 5.198 1.00 61.35 H HETATM 21 HD2 NLE A 4 -1.479 0.226 6.618 1.00 34.12 H HETATM 22 HD3 NLE A 4 -2.284 -1.065 5.740 1.00 2.42 H HETATM 23 HE1 NLE A 4 -3.345 0.730 4.202 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.777 0.943 5.917 1.00 13.20 H HETATM 25 HE3 NLE A 4 -2.536 1.979 5.185 1.00 14.24 H ATOM 26 N ASP A 5 1.307 -0.018 0.745 1.00 42.23 N ATOM 27 CA ASP A 5 2.197 1.003 0.123 1.00 14.33 C ATOM 28 C ASP A 5 1.402 2.293 -0.298 1.00 70.04 C ATOM 29 O ASP A 5 0.341 2.139 -0.917 1.00 71.01 O ATOM 30 CB ASP A 5 2.874 0.385 -1.124 1.00 73.01 C ATOM 31 CG ASP A 5 3.930 -0.694 -0.844 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.881 -0.453 -0.102 1.00 41.31 O ATOM 33 H ASP A 5 0.686 -0.619 0.182 1.00 62.10 H ATOM 34 HA ASP A 5 3.001 1.278 0.833 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.096 0.033 -1.831 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.401 1.185 -1.669 1.00 72.20 H ATOM 37 N PRO A 6 1.835 3.562 -0.016 1.00 64.04 N ATOM 38 CA PRO A 6 1.037 4.782 -0.339 1.00 44.43 C ATOM 39 C PRO A 6 0.778 5.045 -1.871 1.00 31.44 C ATOM 40 O PRO A 6 1.725 4.886 -2.652 1.00 1.02 O ATOM 41 CB PRO A 6 1.829 5.903 0.367 1.00 53.11 C ATOM 42 CG PRO A 6 3.251 5.362 0.518 1.00 4.15 C ATOM 43 CD PRO A 6 3.058 3.866 0.752 1.00 41.55 C ATOM 44 HA PRO A 6 0.076 4.691 0.192 1.00 15.04 H ATOM 45 HB2 PRO A 6 1.804 6.870 -0.174 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.395 6.097 1.367 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.821 5.529 -0.417 1.00 0.00 H ATOM 48 HG3 PRO A 6 3.815 5.853 1.335 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.940 3.292 0.413 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.897 3.645 1.828 1.00 72.34 H ATOM 51 N PRO A 7 -0.447 5.423 -2.359 1.00 22.14 N ATOM 52 CA PRO A 7 -1.607 5.857 -1.515 1.00 10.30 C ATOM 53 C PRO A 7 -2.639 4.755 -1.059 1.00 31.43 C ATOM 54 O PRO A 7 -3.854 4.969 -1.085 1.00 11.54 O ATOM 55 CB PRO A 7 -2.211 6.929 -2.450 1.00 73.35 C ATOM 56 CG PRO A 7 -2.011 6.378 -3.864 1.00 73.14 C ATOM 57 CD PRO A 7 -0.643 5.706 -3.797 1.00 50.35 C ATOM 58 HA PRO A 7 -1.268 6.373 -0.597 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.271 7.161 -2.232 1.00 0.00 H ATOM 60 HB3 PRO A 7 -1.662 7.885 -2.337 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.792 5.628 -4.097 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.067 7.161 -4.644 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.605 4.781 -4.406 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.149 6.383 -4.174 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.152 3.603 -0.576 1.00 55.11 N HETATM 66 CA 4J2 A 8 -2.977 2.529 0.037 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.307 1.991 1.339 1.00 10.34 C HETATM 68 CG 4J2 A 8 -1.762 2.988 2.369 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.395 3.058 2.615 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.629 3.838 3.038 1.00 72.21 C HETATM 71 CE1 4J2 A 8 0.130 3.989 3.497 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -0.720 4.872 4.158 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.216 5.828 5.034 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.083 6.698 5.692 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.139 4.793 3.931 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -2.987 5.673 4.605 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -2.457 6.619 5.480 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.249 1.363 -0.966 1.00 22.34 C HETATM 79 HE1 4J2 A 8 1.199 4.011 3.657 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.402 1.043 -1.261 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.057 5.637 4.455 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.119 7.300 5.997 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.137 3.477 -0.650 1.00 71.33 H HETATM 84 HA 4J2 A 8 -3.952 2.941 0.352 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.039 1.344 1.846 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.492 1.298 1.070 1.00 60.00 H HETATM 87 HD1 4J2 A 8 0.257 2.376 2.109 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.672 3.692 2.830 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.852 5.893 5.195 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -0.685 7.439 6.371 1.00 0.00 H ATOM 91 N ARG A 9 -2.172 0.725 -1.458 1.00 0.00 N ATOM 92 CA ARG A 9 -2.230 -0.492 -2.303 1.00 0.00 C ATOM 93 C ARG A 9 -1.529 -1.663 -1.543 1.00 0.00 C ATOM 94 O ARG A 9 -0.452 -1.503 -0.956 1.00 0.00 O ATOM 95 CB ARG A 9 -1.542 -0.219 -3.666 1.00 0.00 C ATOM 96 CG ARG A 9 -2.060 0.974 -4.513 1.00 0.00 C ATOM 97 CD ARG A 9 -3.529 0.863 -4.967 1.00 0.00 C ATOM 98 NE ARG A 9 -3.982 2.136 -5.586 1.00 0.00 N ATOM 99 CZ ARG A 9 -4.541 3.161 -4.937 1.00 0.00 C ATOM 100 NH1 ARG A 9 -4.765 3.189 -3.648 1.00 0.00 N ATOM 101 NH2 ARG A 9 -4.877 4.195 -5.638 1.00 0.00 N ATOM 102 H ARG A 9 -1.282 1.194 -1.229 1.00 0.00 H ATOM 103 HA ARG A 9 -3.285 -0.774 -2.500 1.00 0.00 H ATOM 104 HB2 ARG A 9 -0.461 -0.078 -3.485 1.00 0.00 H ATOM 105 HB3 ARG A 9 -1.600 -1.138 -4.274 1.00 0.00 H ATOM 106 HG2 ARG A 9 -1.919 1.913 -3.939 1.00 0.00 H ATOM 107 HG3 ARG A 9 -1.420 1.103 -5.407 1.00 0.00 H ATOM 108 HD2 ARG A 9 -3.632 0.049 -5.710 1.00 0.00 H ATOM 109 HD3 ARG A 9 -4.199 0.570 -4.134 1.00 0.00 H ATOM 110 HH11 ARG A 9 -4.473 2.345 -3.148 1.00 0.00 H ATOM 111 HH12 ARG A 9 -5.159 4.045 -3.252 1.00 0.00 H ATOM 112 HH21 ARG A 9 -4.675 4.072 -6.633 1.00 0.00 H ATOM 113 HH22 ARG A 9 -5.327 4.972 -5.154 1.00 0.00 H ATOM 114 N TRP A 10 -2.154 -2.849 -1.539 1.00 0.00 N ATOM 115 CA TRP A 10 -1.714 -3.982 -0.693 1.00 0.00 C ATOM 116 C TRP A 10 -0.748 -4.944 -1.453 1.00 0.00 C ATOM 117 O TRP A 10 -1.055 -5.487 -2.518 1.00 0.00 O ATOM 118 CB TRP A 10 -2.991 -4.683 -0.168 1.00 0.00 C ATOM 119 CG TRP A 10 -2.731 -5.835 0.808 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.654 -7.186 0.437 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.396 -5.789 2.145 1.00 0.00 C ATOM 122 NE1 TRP A 10 -2.279 -8.006 1.521 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.115 -7.112 2.570 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.252 -4.700 3.037 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -1.681 -7.351 3.894 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -1.831 -4.960 4.342 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.548 -6.266 4.765 1.00 0.00 C ATOM 128 H TRP A 10 -2.860 -2.980 -2.265 1.00 0.00 H ATOM 129 HA TRP A 10 -1.207 -3.577 0.210 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.637 -3.945 0.340 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.583 -5.058 -1.021 1.00 0.00 H ATOM 132 HD1 TRP A 10 -2.786 -7.510 -0.586 1.00 0.00 H ATOM 133 HE1 TRP A 10 -2.095 -9.016 1.518 1.00 0.00 H ATOM 134 HE3 TRP A 10 -2.456 -3.694 2.704 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -1.452 -8.355 4.225 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -1.715 -4.138 5.034 1.00 0.00 H ATOM 137 HH2 TRP A 10 -1.218 -6.435 5.781 1.00 0.00 H ATOM 138 N LYS A 11 0.389 -5.192 -0.807 1.00 74.43 N ATOM 139 CA LYS A 11 1.339 -6.279 -1.165 1.00 4.20 C ATOM 140 C LYS A 11 1.204 -7.505 -0.203 1.00 11.04 C ATOM 141 O LYS A 11 0.968 -8.630 -0.636 1.00 35.41 O ATOM 142 CB LYS A 11 2.769 -5.673 -1.177 1.00 41.10 C ATOM 143 CG LYS A 11 3.080 -4.782 -2.403 1.00 44.10 C ATOM 144 CD LYS A 11 4.462 -4.088 -2.359 1.00 33.11 C ATOM 145 CE LYS A 11 4.673 -3.005 -1.276 1.00 70.12 C ATOM 146 NZ LYS A 11 3.755 -1.862 -1.464 1.00 43.51 N ATOM 147 H LYS A 11 0.488 -4.655 0.065 1.00 20.44 H ATOM 148 HA LYS A 11 1.124 -6.669 -2.181 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.941 -5.112 -0.238 1.00 0.00 H ATOM 150 HB3 LYS A 11 3.508 -6.493 -1.148 1.00 63.23 H ATOM 151 HG2 LYS A 11 3.017 -5.399 -3.320 1.00 0.00 H ATOM 152 HG3 LYS A 11 2.287 -4.019 -2.528 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.248 -4.860 -2.245 1.00 0.00 H ATOM 154 HD3 LYS A 11 4.665 -3.638 -3.349 1.00 13.13 H ATOM 155 HE2 LYS A 11 4.542 -3.432 -0.263 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.726 -2.661 -1.312 1.00 35.55 H ATOM 157 HZ1 LYS A 11 2.898 -1.929 -2.019 1.00 44.51 H HETATM 158 N NH2 A 12 1.345 -7.380 1.108 1.00 24.35 N HETATM 159 HN1 NH2 A 12 1.115 -8.236 1.618 1.00 71.12 H HETATM 160 HN2 NH2 A 12 1.343 -6.418 1.464 1.00 14.20 H TER 161 NH2 A 12