HETATM 1 C ACE A 0 -3.378 -3.101 7.021 1.00 0.00 C HETATM 2 O ACE A 0 -4.015 -3.545 6.043 1.00 0.00 O HETATM 3 CH3 ACE A 0 -3.064 -4.022 8.182 1.00 0.00 C HETATM 4 H1 ACE A 0 -3.375 -5.019 7.927 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.600 -3.691 9.061 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.000 -4.010 8.374 1.00 0.00 H ATOM 7 N HIS A 1 -2.922 -1.807 7.159 1.00 0.00 N ATOM 8 CA HIS A 1 -3.127 -0.743 6.152 1.00 0.00 C ATOM 9 C HIS A 1 -1.878 -0.504 5.305 1.00 0.00 C ATOM 10 O HIS A 1 -2.019 -0.101 4.139 1.00 0.00 O ATOM 11 CB HIS A 1 -3.532 0.569 6.834 1.00 0.00 C ATOM 12 CG HIS A 1 -4.338 1.483 5.973 1.00 0.00 C ATOM 13 ND1 HIS A 1 -5.673 1.286 5.714 1.00 0.00 N ATOM 14 CD2 HIS A 1 -3.992 2.610 5.322 1.00 0.00 C ATOM 15 CE1 HIS A 1 -6.116 2.256 4.943 1.00 0.00 C ATOM 16 NE2 HIS A 1 -5.114 3.074 4.686 1.00 0.00 N ATOM 17 H HIS A 1 -2.437 -1.577 7.986 1.00 0.00 H ATOM 18 HA HIS A 1 -3.929 -1.054 5.498 1.00 0.00 H ATOM 19 HB2 HIS A 1 -4.118 0.351 7.706 1.00 0.00 H ATOM 20 HB3 HIS A 1 -2.640 1.098 7.130 1.00 0.00 H ATOM 21 HD1 HIS A 1 -6.218 0.552 6.051 1.00 0.00 H ATOM 22 HD2 HIS A 1 -3.012 3.063 5.316 1.00 0.00 H ATOM 23 HE1 HIS A 1 -7.134 2.366 4.591 1.00 0.00 H ATOM 24 HE2 HIS A 1 -5.195 3.941 4.245 1.00 0.00 H HETATM 25 C MK8 A 2 0.696 -1.140 3.788 1.00 0.00 C HETATM 26 N MK8 A 2 -0.639 -0.722 5.916 1.00 0.00 N HETATM 27 O MK8 A 2 1.338 -0.619 2.843 1.00 0.00 O HETATM 28 CA MK8 A 2 0.682 -0.502 5.234 1.00 0.00 C HETATM 29 CB MK8 A 2 1.866 -1.088 6.054 1.00 0.00 C HETATM 30 CD MK8 A 2 2.192 -3.547 5.313 1.00 0.00 C HETATM 31 CE MK8 A 2 3.674 -3.677 4.882 1.00 0.00 C HETATM 32 CG MK8 A 2 1.806 -2.579 6.444 1.00 0.00 C HETATM 33 CB1 MK8 A 2 0.933 1.022 5.233 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.631 -1.006 6.854 1.00 0.00 H HETATM 35 HB MK8 A 2 1.954 -0.512 6.966 1.00 0.00 H HETATM 36 HBA MK8 A 2 2.772 -0.952 5.485 1.00 0.00 H HETATM 37 HD MK8 A 2 1.614 -3.256 4.456 1.00 0.00 H HETATM 38 HDA MK8 A 2 1.874 -4.531 5.611 1.00 0.00 H HETATM 39 HE MK8 A 2 4.361 -3.867 5.673 1.00 0.00 H HETATM 40 HG MK8 A 2 0.817 -2.805 6.772 1.00 0.00 H HETATM 41 HGA MK8 A 2 2.489 -2.739 7.257 1.00 0.00 H HETATM 42 HB1 MK8 A 2 0.063 1.541 4.851 1.00 0.00 H HETATM 43 HB1A MK8 A 2 1.783 1.232 4.604 1.00 0.00 H HETATM 44 HB1B MK8 A 2 1.143 1.353 6.243 1.00 0.00 H ATOM 45 N ILE A 3 0.003 -2.330 3.686 1.00 0.00 N ATOM 46 CA ILE A 3 -0.067 -3.168 2.455 1.00 0.00 C ATOM 47 C ILE A 3 -0.777 -2.376 1.360 1.00 0.00 C ATOM 48 O ILE A 3 -0.318 -2.347 0.207 1.00 0.00 O ATOM 49 CB ILE A 3 -0.791 -4.570 2.668 1.00 0.00 C ATOM 50 CG1 ILE A 3 -0.466 -5.266 4.012 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.388 -5.547 1.563 1.00 0.00 C ATOM 52 CD1 ILE A 3 -1.204 -4.721 5.212 1.00 0.00 C ATOM 53 H ILE A 3 -0.422 -2.671 4.489 1.00 0.00 H ATOM 54 HA ILE A 3 0.958 -3.361 2.144 1.00 0.00 H ATOM 55 HB ILE A 3 -1.866 -4.415 2.606 1.00 0.00 H ATOM 56 HG12 ILE A 3 -0.724 -6.299 3.930 1.00 0.00 H ATOM 57 HG13 ILE A 3 0.591 -5.180 4.205 1.00 0.00 H ATOM 58 HG21 ILE A 3 -0.780 -6.528 1.797 1.00 0.00 H ATOM 59 HG22 ILE A 3 0.686 -5.590 1.508 1.00 0.00 H ATOM 60 HG23 ILE A 3 -0.788 -5.208 0.620 1.00 0.00 H ATOM 61 HD11 ILE A 3 -0.540 -4.696 6.055 1.00 0.00 H ATOM 62 HD12 ILE A 3 -2.049 -5.356 5.437 1.00 0.00 H ATOM 63 HD13 ILE A 3 -1.549 -3.723 4.991 1.00 0.00 H ATOM 64 N LEU A 4 -1.899 -1.704 1.779 1.00 0.00 N ATOM 65 CA LEU A 4 -2.746 -0.851 0.920 1.00 0.00 C ATOM 66 C LEU A 4 -1.893 0.220 0.220 1.00 0.00 C ATOM 67 O LEU A 4 -2.190 0.587 -0.928 1.00 0.00 O ATOM 68 CB LEU A 4 -3.847 -0.213 1.798 1.00 0.00 C ATOM 69 CG LEU A 4 -4.949 0.605 1.099 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.185 0.644 1.974 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.478 2.027 0.822 1.00 0.00 C ATOM 72 H LEU A 4 -2.145 -1.787 2.721 1.00 0.00 H ATOM 73 HA LEU A 4 -3.203 -1.482 0.175 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.328 -1.006 2.341 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.366 0.430 2.517 1.00 0.00 H ATOM 76 HG LEU A 4 -5.205 0.136 0.163 1.00 0.00 H ATOM 77 HD11 LEU A 4 -6.101 -0.096 2.756 1.00 0.00 H ATOM 78 HD12 LEU A 4 -7.055 0.435 1.375 1.00 0.00 H ATOM 79 HD13 LEU A 4 -6.279 1.625 2.419 1.00 0.00 H ATOM 80 HD21 LEU A 4 -3.492 2.004 0.387 1.00 0.00 H ATOM 81 HD22 LEU A 4 -4.447 2.583 1.754 1.00 0.00 H ATOM 82 HD23 LEU A 4 -5.159 2.508 0.145 1.00 0.00 H ATOM 83 N HIS A 5 -0.839 0.685 0.961 1.00 0.00 N ATOM 84 CA HIS A 5 0.116 1.706 0.506 1.00 0.00 C ATOM 85 C HIS A 5 1.195 1.116 -0.395 1.00 0.00 C ATOM 86 O HIS A 5 1.392 1.628 -1.495 1.00 0.00 O ATOM 87 CB HIS A 5 0.723 2.397 1.715 1.00 0.00 C ATOM 88 CG HIS A 5 0.148 3.756 1.956 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.484 4.867 1.200 1.00 0.00 N ATOM 90 CD2 HIS A 5 -0.780 4.180 2.852 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.209 5.907 1.629 1.00 0.00 C ATOM 92 NE2 HIS A 5 -0.983 5.514 2.625 1.00 0.00 N ATOM 93 H HIS A 5 -0.715 0.315 1.860 1.00 0.00 H ATOM 94 HA HIS A 5 -0.442 2.436 -0.065 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.520 1.797 2.591 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.794 2.496 1.581 1.00 0.00 H ATOM 97 HD1 HIS A 5 1.134 4.890 0.457 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.286 3.577 3.597 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.158 6.907 1.236 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.563 6.102 3.156 1.00 0.00 H HETATM 101 C MK8 A 6 2.406 -1.155 -2.071 1.00 0.00 C HETATM 102 N MK8 A 6 1.888 0.009 0.084 1.00 0.00 N HETATM 103 O MK8 A 6 3.179 -1.564 -2.980 1.00 0.00 O HETATM 104 CA MK8 A 6 2.975 -0.721 -0.682 1.00 0.00 C HETATM 105 CB MK8 A 6 3.402 -2.042 0.058 1.00 0.00 C HETATM 106 CD MK8 A 6 3.482 -3.328 2.261 1.00 0.00 C HETATM 107 CE MK8 A 6 4.216 -3.588 3.604 1.00 0.00 C HETATM 108 CG MK8 A 6 3.643 -1.968 1.584 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.217 0.210 -0.878 1.00 0.00 C HETATM 110 HN MK8 A 6 1.647 -0.324 0.970 1.00 0.00 H HETATM 111 HB MK8 A 6 4.320 -2.388 -0.394 1.00 0.00 H HETATM 112 HBA MK8 A 6 2.638 -2.789 -0.114 1.00 0.00 H HETATM 113 HD MK8 A 6 3.806 -4.080 1.548 1.00 0.00 H HETATM 114 HDA MK8 A 6 2.436 -3.476 2.445 1.00 0.00 H HETATM 115 HE MK8 A 6 5.276 -3.713 3.527 1.00 0.00 H HETATM 116 HG MK8 A 6 2.935 -1.276 2.012 1.00 0.00 H HETATM 117 HGA MK8 A 6 4.645 -1.613 1.754 1.00 0.00 H HETATM 118 HB1 MK8 A 6 4.118 1.071 -0.234 1.00 0.00 H HETATM 119 HB1A MK8 A 6 4.265 0.535 -1.905 1.00 0.00 H HETATM 120 HB1B MK8 A 6 5.114 -0.332 -0.625 1.00 0.00 H ATOM 121 N LEU A 7 1.030 -1.089 -2.192 1.00 0.00 N ATOM 122 CA LEU A 7 0.279 -1.467 -3.407 1.00 0.00 C ATOM 123 C LEU A 7 0.120 -0.277 -4.353 1.00 0.00 C ATOM 124 O LEU A 7 0.229 -0.458 -5.587 1.00 0.00 O ATOM 125 CB LEU A 7 -1.113 -2.048 -3.037 1.00 0.00 C ATOM 126 CG LEU A 7 -1.855 -2.802 -4.164 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.371 -4.247 -4.300 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.358 -2.792 -3.914 1.00 0.00 C ATOM 129 H LEU A 7 0.520 -0.783 -1.415 1.00 0.00 H ATOM 130 HA LEU A 7 0.859 -2.235 -3.911 1.00 0.00 H ATOM 131 HB2 LEU A 7 -0.991 -2.725 -2.202 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.747 -1.234 -2.721 1.00 0.00 H ATOM 133 HG LEU A 7 -1.667 -2.295 -5.108 1.00 0.00 H ATOM 134 HD11 LEU A 7 -1.980 -4.758 -5.029 1.00 0.00 H ATOM 135 HD12 LEU A 7 -1.457 -4.750 -3.349 1.00 0.00 H ATOM 136 HD13 LEU A 7 -0.344 -4.256 -4.618 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.615 -1.985 -3.239 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.647 -3.731 -3.478 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.881 -2.654 -4.852 1.00 0.00 H ATOM 140 N LEU A 8 -0.161 0.933 -3.747 1.00 0.00 N ATOM 141 CA LEU A 8 -0.376 2.198 -4.488 1.00 0.00 C ATOM 142 C LEU A 8 0.930 2.823 -4.964 1.00 0.00 C ATOM 143 O LEU A 8 0.968 3.409 -6.058 1.00 0.00 O ATOM 144 CB LEU A 8 -1.137 3.220 -3.615 1.00 0.00 C ATOM 145 CG LEU A 8 -2.452 2.738 -2.961 1.00 0.00 C ATOM 146 CD1 LEU A 8 -2.785 3.626 -1.783 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.628 2.752 -3.934 1.00 0.00 C ATOM 148 H LEU A 8 -0.228 0.956 -2.769 1.00 0.00 H ATOM 149 HA LEU A 8 -0.980 1.972 -5.343 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.476 3.550 -2.827 1.00 0.00 H ATOM 151 HB3 LEU A 8 -1.371 4.076 -4.237 1.00 0.00 H ATOM 152 HG LEU A 8 -2.326 1.724 -2.595 1.00 0.00 H ATOM 153 HD11 LEU A 8 -2.659 3.073 -0.866 1.00 0.00 H ATOM 154 HD12 LEU A 8 -3.808 3.963 -1.865 1.00 0.00 H ATOM 155 HD13 LEU A 8 -2.125 4.480 -1.784 1.00 0.00 H ATOM 156 HD21 LEU A 8 -4.558 2.842 -3.387 1.00 0.00 H ATOM 157 HD22 LEU A 8 -3.631 1.834 -4.499 1.00 0.00 H ATOM 158 HD23 LEU A 8 -3.521 3.587 -4.605 1.00 0.00 H ATOM 159 N GLN A 9 1.989 2.693 -4.095 1.00 0.00 N ATOM 160 CA GLN A 9 3.340 3.250 -4.329 1.00 0.00 C ATOM 161 C GLN A 9 4.099 2.456 -5.364 1.00 0.00 C ATOM 162 O GLN A 9 4.905 3.038 -6.119 1.00 0.00 O ATOM 163 CB GLN A 9 4.133 3.279 -3.015 1.00 0.00 C ATOM 164 CG GLN A 9 3.491 4.115 -1.909 1.00 0.00 C ATOM 165 CD GLN A 9 4.324 4.130 -0.644 1.00 0.00 C ATOM 166 OE1 GLN A 9 4.585 3.083 -0.049 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.759 5.315 -0.231 1.00 0.00 N ATOM 168 H GLN A 9 1.834 2.212 -3.260 1.00 0.00 H ATOM 169 HA GLN A 9 3.232 4.257 -4.691 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.237 2.265 -2.653 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.115 3.680 -3.211 1.00 0.00 H ATOM 172 HG2 GLN A 9 3.370 5.131 -2.260 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.520 3.694 -1.675 1.00 0.00 H ATOM 174 HE21 GLN A 9 4.530 6.103 -0.757 1.00 0.00 H ATOM 175 HE22 GLN A 9 5.288 5.353 0.593 1.00 0.00 H ATOM 176 N ASP A 10 3.819 1.115 -5.371 1.00 0.00 N ATOM 177 CA ASP A 10 4.436 0.145 -6.292 1.00 0.00 C ATOM 178 C ASP A 10 3.933 0.355 -7.714 1.00 0.00 C ATOM 179 O ASP A 10 4.740 0.412 -8.655 1.00 0.00 O ATOM 180 CB ASP A 10 4.117 -1.272 -5.833 1.00 0.00 C ATOM 181 CG ASP A 10 4.921 -2.316 -6.582 1.00 0.00 C ATOM 182 OD1 ASP A 10 4.780 -2.399 -7.821 1.00 0.00 O ATOM 183 OD2 ASP A 10 5.694 -3.047 -5.933 1.00 0.00 O ATOM 184 H ASP A 10 3.161 0.780 -4.729 1.00 0.00 H ATOM 185 HA ASP A 10 5.513 0.291 -6.262 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.346 -1.356 -4.786 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.063 -1.471 -5.998 1.00 0.00 H ATOM 188 N SER A 11 2.563 0.481 -7.823 1.00 0.00 N ATOM 189 CA SER A 11 1.847 0.706 -9.093 1.00 0.00 C ATOM 190 C SER A 11 2.343 1.975 -9.775 1.00 0.00 C ATOM 191 O SER A 11 2.856 1.926 -10.887 1.00 0.00 O ATOM 192 CB SER A 11 0.343 0.812 -8.849 1.00 0.00 C ATOM 193 OG SER A 11 0.018 1.880 -7.972 1.00 0.00 O ATOM 194 H SER A 11 2.035 0.436 -7.001 1.00 0.00 H ATOM 195 HA SER A 11 2.041 -0.136 -9.744 1.00 0.00 H ATOM 196 HB2 SER A 11 -0.144 0.983 -9.788 1.00 0.00 H ATOM 197 HB3 SER A 11 -0.014 -0.104 -8.423 1.00 0.00 H ATOM 198 HG SER A 11 -0.609 2.474 -8.401 1.00 0.00 H HETATM 199 N NH2 A 12 2.365 3.068 -9.022 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.068 2.995 -8.087 1.00 0.00 H HETATM 201 HN2 NH2 A 12 2.680 3.900 -9.433 1.00 0.00 H TER 202 NH2 A 12