HETATM 1 C ACE A 0 -3.230 -2.552 6.751 1.00 0.00 C HETATM 2 O ACE A 0 -3.455 -3.101 5.649 1.00 0.00 O HETATM 3 CH3 ACE A 0 -3.103 -3.422 7.986 1.00 0.00 C HETATM 4 H1 ACE A 0 -3.205 -2.814 8.874 1.00 0.00 H HETATM 5 H2 ACE A 0 -2.138 -3.900 7.986 1.00 0.00 H HETATM 6 H3 ACE A 0 -3.880 -4.174 7.972 1.00 0.00 H ATOM 7 N HIS A 1 -3.073 -1.193 6.948 1.00 0.00 N ATOM 8 CA HIS A 1 -3.158 -0.186 5.870 1.00 0.00 C ATOM 9 C HIS A 1 -1.833 -0.115 5.104 1.00 0.00 C ATOM 10 O HIS A 1 -1.786 0.342 3.960 1.00 0.00 O ATOM 11 CB HIS A 1 -3.505 1.189 6.438 1.00 0.00 C ATOM 12 CG HIS A 1 -4.163 2.095 5.452 1.00 0.00 C ATOM 13 ND1 HIS A 1 -5.467 1.941 5.032 1.00 0.00 N ATOM 14 CD2 HIS A 1 -3.677 3.167 4.798 1.00 0.00 C ATOM 15 CE1 HIS A 1 -5.755 2.884 4.161 1.00 0.00 C ATOM 16 NE2 HIS A 1 -4.685 3.648 4.001 1.00 0.00 N ATOM 17 H HIS A 1 -2.890 -0.879 7.856 1.00 0.00 H ATOM 18 HA HIS A 1 -3.940 -0.503 5.196 1.00 0.00 H ATOM 19 HB2 HIS A 1 -4.173 1.070 7.277 1.00 0.00 H ATOM 20 HB3 HIS A 1 -2.593 1.665 6.768 1.00 0.00 H ATOM 21 HD1 HIS A 1 -6.081 1.232 5.311 1.00 0.00 H ATOM 22 HD2 HIS A 1 -2.671 3.551 4.871 1.00 0.00 H ATOM 23 HE1 HIS A 1 -6.703 3.017 3.663 1.00 0.00 H ATOM 24 HE2 HIS A 1 -4.674 4.509 3.535 1.00 0.00 H HETATM 25 C MK8 A 2 0.658 -1.305 3.815 1.00 0.00 C HETATM 26 N MK8 A 2 -0.737 -0.594 5.790 1.00 0.00 N HETATM 27 O MK8 A 2 1.101 -0.720 2.797 1.00 0.00 O HETATM 28 CA MK8 A 2 0.663 -0.647 5.265 1.00 0.00 C HETATM 29 CB MK8 A 2 1.472 -1.508 6.315 1.00 0.00 C HETATM 30 CD MK8 A 2 2.776 -3.336 5.104 1.00 0.00 C HETATM 31 CE MK8 A 2 4.040 -3.960 4.476 1.00 0.00 C HETATM 32 CG MK8 A 2 2.882 -2.071 5.961 1.00 0.00 C HETATM 33 CB1 MK8 A 2 1.250 0.786 5.306 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.886 -0.926 6.701 1.00 0.00 H HETATM 35 HB MK8 A 2 0.853 -2.357 6.585 1.00 0.00 H HETATM 36 HBA MK8 A 2 1.602 -0.904 7.196 1.00 0.00 H HETATM 37 HD MK8 A 2 2.080 -3.122 4.295 1.00 0.00 H HETATM 38 HDA MK8 A 2 2.334 -4.096 5.716 1.00 0.00 H HETATM 39 HE MK8 A 2 4.794 -4.278 5.171 1.00 0.00 H HETATM 40 HG MK8 A 2 3.386 -2.317 6.879 1.00 0.00 H HETATM 41 HGA MK8 A 2 3.445 -1.320 5.431 1.00 0.00 H HETATM 42 HB1 MK8 A 2 2.204 0.768 5.821 1.00 0.00 H HETATM 43 HB1A MK8 A 2 0.569 1.440 5.829 1.00 0.00 H HETATM 44 HB1B MK8 A 2 1.392 1.150 4.301 1.00 0.00 H ATOM 45 N ILE A 3 0.174 -2.596 3.807 1.00 0.00 N ATOM 46 CA ILE A 3 0.098 -3.478 2.602 1.00 0.00 C ATOM 47 C ILE A 3 -0.673 -2.753 1.480 1.00 0.00 C ATOM 48 O ILE A 3 -0.301 -2.876 0.293 1.00 0.00 O ATOM 49 CB ILE A 3 -0.567 -4.893 2.891 1.00 0.00 C ATOM 50 CG1 ILE A 3 -0.134 -5.540 4.239 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.229 -5.900 1.782 1.00 0.00 C ATOM 52 CD1 ILE A 3 -0.832 -5.001 5.471 1.00 0.00 C ATOM 53 H ILE A 3 -0.102 -2.972 4.664 1.00 0.00 H ATOM 54 HA ILE A 3 1.119 -3.648 2.263 1.00 0.00 H ATOM 55 HB ILE A 3 -1.638 -4.760 2.890 1.00 0.00 H ATOM 56 HG12 ILE A 3 -0.346 -6.594 4.196 1.00 0.00 H ATOM 57 HG13 ILE A 3 0.927 -5.399 4.368 1.00 0.00 H ATOM 58 HG21 ILE A 3 0.669 -5.579 1.274 1.00 0.00 H ATOM 59 HG22 ILE A 3 -1.043 -5.945 1.075 1.00 0.00 H ATOM 60 HG23 ILE A 3 -0.070 -6.876 2.217 1.00 0.00 H ATOM 61 HD11 ILE A 3 -0.876 -5.779 6.226 1.00 0.00 H ATOM 62 HD12 ILE A 3 -1.832 -4.696 5.211 1.00 0.00 H ATOM 63 HD13 ILE A 3 -0.281 -4.153 5.857 1.00 0.00 H ATOM 64 N LEU A 4 -1.735 -1.991 1.910 1.00 0.00 N ATOM 65 CA LEU A 4 -2.609 -1.205 1.025 1.00 0.00 C ATOM 66 C LEU A 4 -1.783 -0.176 0.262 1.00 0.00 C ATOM 67 O LEU A 4 -1.956 -0.017 -0.956 1.00 0.00 O ATOM 68 CB LEU A 4 -3.706 -0.539 1.877 1.00 0.00 C ATOM 69 CG LEU A 4 -4.847 0.187 1.138 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.056 0.264 2.040 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.428 1.598 0.719 1.00 0.00 C ATOM 72 H LEU A 4 -1.919 -1.967 2.871 1.00 0.00 H ATOM 73 HA LEU A 4 -3.069 -1.875 0.319 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.145 -1.304 2.500 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.220 0.177 2.519 1.00 0.00 H ATOM 76 HG LEU A 4 -5.119 -0.373 0.253 1.00 0.00 H ATOM 77 HD11 LEU A 4 -6.842 0.810 1.538 1.00 0.00 H ATOM 78 HD12 LEU A 4 -5.790 0.765 2.955 1.00 0.00 H ATOM 79 HD13 LEU A 4 -6.398 -0.736 2.268 1.00 0.00 H ATOM 80 HD21 LEU A 4 -4.891 2.325 1.374 1.00 0.00 H ATOM 81 HD22 LEU A 4 -4.744 1.780 -0.295 1.00 0.00 H ATOM 82 HD23 LEU A 4 -3.354 1.691 0.781 1.00 0.00 H ATOM 83 N HIS A 5 -0.875 0.495 1.035 1.00 0.00 N ATOM 84 CA HIS A 5 0.047 1.535 0.542 1.00 0.00 C ATOM 85 C HIS A 5 1.110 0.967 -0.388 1.00 0.00 C ATOM 86 O HIS A 5 1.352 1.539 -1.462 1.00 0.00 O ATOM 87 CB HIS A 5 0.701 2.227 1.733 1.00 0.00 C ATOM 88 CG HIS A 5 0.157 3.591 2.009 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.477 4.693 1.246 1.00 0.00 N ATOM 90 CD2 HIS A 5 -0.686 4.033 2.974 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.137 5.754 1.724 1.00 0.00 C ATOM 92 NE2 HIS A 5 -0.855 5.382 2.780 1.00 0.00 N ATOM 93 H HIS A 5 -0.829 0.265 1.987 1.00 0.00 H ATOM 94 HA HIS A 5 -0.540 2.261 0.001 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.536 1.632 2.612 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.762 2.319 1.560 1.00 0.00 H ATOM 97 HD1 HIS A 5 1.072 4.692 0.460 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.149 3.433 3.751 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.070 6.748 1.325 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.302 5.996 3.403 1.00 0.00 H HETATM 101 C MK8 A 6 2.342 -1.200 -2.171 1.00 0.00 C HETATM 102 N MK8 A 6 1.761 -0.177 0.046 1.00 0.00 N HETATM 103 O MK8 A 6 3.146 -1.485 -3.098 1.00 0.00 O HETATM 104 CA MK8 A 6 2.853 -0.883 -0.727 1.00 0.00 C HETATM 105 CB MK8 A 6 3.196 -2.266 -0.088 1.00 0.00 C HETATM 106 CD MK8 A 6 3.425 -3.814 1.890 1.00 0.00 C HETATM 107 CE MK8 A 6 4.314 -4.163 3.125 1.00 0.00 C HETATM 108 CG MK8 A 6 3.268 -2.361 1.458 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.139 -0.011 -0.756 1.00 0.00 C HETATM 110 HN MK8 A 6 1.501 -0.552 0.910 1.00 0.00 H HETATM 111 HB MK8 A 6 4.150 -2.593 -0.480 1.00 0.00 H HETATM 112 HBA MK8 A 6 2.450 -2.975 -0.419 1.00 0.00 H HETATM 113 HD MK8 A 6 3.815 -4.360 1.039 1.00 0.00 H HETATM 114 HDA MK8 A 6 2.444 -4.200 2.096 1.00 0.00 H HETATM 115 HE MK8 A 6 5.251 -4.618 2.903 1.00 0.00 H HETATM 116 HG MK8 A 6 2.358 -1.955 1.885 1.00 0.00 H HETATM 117 HGA MK8 A 6 4.119 -1.790 1.810 1.00 0.00 H HETATM 118 HB1 MK8 A 6 3.878 1.014 -0.999 1.00 0.00 H HETATM 119 HB1A MK8 A 6 4.820 -0.394 -1.506 1.00 0.00 H HETATM 120 HB1B MK8 A 6 4.614 -0.041 0.211 1.00 0.00 H ATOM 121 N LEU A 7 0.968 -1.181 -2.304 1.00 0.00 N ATOM 122 CA LEU A 7 0.246 -1.474 -3.561 1.00 0.00 C ATOM 123 C LEU A 7 0.119 -0.225 -4.444 1.00 0.00 C ATOM 124 O LEU A 7 0.278 -0.337 -5.671 1.00 0.00 O ATOM 125 CB LEU A 7 -1.151 -2.050 -3.246 1.00 0.00 C ATOM 126 CG LEU A 7 -1.907 -2.710 -4.431 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.462 -4.156 -4.656 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.406 -2.649 -4.189 1.00 0.00 C ATOM 129 H LEU A 7 0.437 -0.985 -1.505 1.00 0.00 H ATOM 130 HA LEU A 7 0.811 -2.222 -4.095 1.00 0.00 H ATOM 131 HB2 LEU A 7 -1.030 -2.792 -2.471 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.770 -1.251 -2.858 1.00 0.00 H ATOM 133 HG LEU A 7 -1.696 -2.159 -5.336 1.00 0.00 H ATOM 134 HD11 LEU A 7 -0.468 -4.295 -4.269 1.00 0.00 H ATOM 135 HD12 LEU A 7 -1.470 -4.374 -5.716 1.00 0.00 H ATOM 136 HD13 LEU A 7 -2.143 -4.824 -4.150 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.751 -3.598 -3.809 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.909 -2.434 -5.118 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.621 -1.871 -3.471 1.00 0.00 H ATOM 140 N LEU A 8 -0.187 0.951 -3.785 1.00 0.00 N ATOM 141 CA LEU A 8 -0.388 2.259 -4.463 1.00 0.00 C ATOM 142 C LEU A 8 0.943 2.905 -4.874 1.00 0.00 C ATOM 143 O LEU A 8 1.001 3.580 -5.922 1.00 0.00 O ATOM 144 CB LEU A 8 -1.156 3.238 -3.541 1.00 0.00 C ATOM 145 CG LEU A 8 -2.427 2.714 -2.810 1.00 0.00 C ATOM 146 CD1 LEU A 8 -2.754 3.635 -1.646 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.641 2.619 -3.735 1.00 0.00 C ATOM 148 H LEU A 8 -0.296 0.913 -2.814 1.00 0.00 H ATOM 149 HA LEU A 8 -0.978 2.079 -5.349 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.464 3.589 -2.785 1.00 0.00 H ATOM 151 HB3 LEU A 8 -1.447 4.092 -4.139 1.00 0.00 H ATOM 152 HG LEU A 8 -2.239 1.730 -2.411 1.00 0.00 H ATOM 153 HD11 LEU A 8 -3.811 3.585 -1.422 1.00 0.00 H ATOM 154 HD12 LEU A 8 -2.496 4.650 -1.912 1.00 0.00 H ATOM 155 HD13 LEU A 8 -2.186 3.332 -0.782 1.00 0.00 H ATOM 156 HD21 LEU A 8 -3.411 1.967 -4.559 1.00 0.00 H ATOM 157 HD22 LEU A 8 -3.876 3.601 -4.105 1.00 0.00 H ATOM 158 HD23 LEU A 8 -4.491 2.225 -3.184 1.00 0.00 H ATOM 159 N GLN A 9 1.996 2.696 -4.012 1.00 0.00 N ATOM 160 CA GLN A 9 3.360 3.242 -4.202 1.00 0.00 C ATOM 161 C GLN A 9 4.117 2.478 -5.293 1.00 0.00 C ATOM 162 O GLN A 9 4.861 3.104 -6.071 1.00 0.00 O ATOM 163 CB GLN A 9 4.145 3.218 -2.884 1.00 0.00 C ATOM 164 CG GLN A 9 3.495 4.014 -1.757 1.00 0.00 C ATOM 165 CD GLN A 9 4.296 3.930 -0.467 1.00 0.00 C ATOM 166 OE1 GLN A 9 4.593 2.839 0.026 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.629 5.080 0.107 1.00 0.00 N ATOM 168 H GLN A 9 1.831 2.157 -3.209 1.00 0.00 H ATOM 169 HA GLN A 9 3.252 4.266 -4.520 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.233 2.193 -2.555 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.138 3.616 -3.048 1.00 0.00 H ATOM 172 HG2 GLN A 9 3.417 5.048 -2.051 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.505 3.619 -1.575 1.00 0.00 H ATOM 174 HE21 GLN A 9 4.342 5.917 -0.318 1.00 0.00 H ATOM 175 HE22 GLN A 9 5.154 5.047 0.934 1.00 0.00 H ATOM 176 N ASP A 10 3.890 1.116 -5.325 1.00 0.00 N ATOM 177 CA ASP A 10 4.504 0.194 -6.302 1.00 0.00 C ATOM 178 C ASP A 10 3.937 0.432 -7.685 1.00 0.00 C ATOM 179 O ASP A 10 4.711 0.480 -8.663 1.00 0.00 O ATOM 180 CB ASP A 10 4.261 -1.253 -5.874 1.00 0.00 C ATOM 181 CG ASP A 10 5.088 -2.235 -6.685 1.00 0.00 C ATOM 182 OD1 ASP A 10 4.926 -2.259 -7.922 1.00 0.00 O ATOM 183 OD2 ASP A 10 5.886 -2.982 -6.088 1.00 0.00 O ATOM 184 H ASP A 10 3.279 0.732 -4.664 1.00 0.00 H ATOM 185 HA ASP A 10 5.560 0.376 -6.333 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.516 -1.356 -4.837 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.218 -1.503 -6.006 1.00 0.00 H ATOM 188 N SER A 11 2.573 0.584 -7.732 1.00 0.00 N ATOM 189 CA SER A 11 1.812 0.835 -8.976 1.00 0.00 C ATOM 190 C SER A 11 2.221 2.162 -9.601 1.00 0.00 C ATOM 191 O SER A 11 2.085 2.364 -10.804 1.00 0.00 O ATOM 192 CB SER A 11 0.300 0.808 -8.681 1.00 0.00 C ATOM 193 OG SER A 11 -0.117 -0.490 -8.268 1.00 0.00 O ATOM 194 H SER A 11 2.078 0.529 -6.884 1.00 0.00 H ATOM 195 HA SER A 11 2.049 0.048 -9.674 1.00 0.00 H ATOM 196 HB2 SER A 11 0.086 1.508 -7.897 1.00 0.00 H ATOM 197 HB3 SER A 11 -0.254 1.086 -9.568 1.00 0.00 H ATOM 198 HG SER A 11 -0.614 -0.916 -8.977 1.00 0.00 H HETATM 199 N NH2 A 12 2.686 3.084 -8.776 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.733 2.857 -7.804 1.00 0.00 H HETATM 201 HN2 NH2 A 12 2.979 3.951 -9.165 1.00 0.00 H TER 202 NH2 A 12