HETATM 1 C ACE A 0 -2.885 -2.441 7.465 1.00 0.00 C HETATM 2 O ACE A 0 -3.086 -3.276 6.556 1.00 0.00 O HETATM 3 CH3 ACE A 0 -2.584 -2.924 8.868 1.00 0.00 C HETATM 4 H1 ACE A 0 -1.516 -3.032 8.990 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.060 -3.880 9.033 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.958 -2.206 9.580 1.00 0.00 H ATOM 7 N HIS A 1 -2.897 -1.072 7.305 1.00 0.00 N ATOM 8 CA HIS A 1 -3.161 -0.387 6.023 1.00 0.00 C ATOM 9 C HIS A 1 -1.882 -0.236 5.193 1.00 0.00 C ATOM 10 O HIS A 1 -1.930 0.281 4.069 1.00 0.00 O ATOM 11 CB HIS A 1 -3.867 0.973 6.236 1.00 0.00 C ATOM 12 CG HIS A 1 -3.163 1.967 7.113 1.00 0.00 C ATOM 13 ND1 HIS A 1 -3.001 1.822 8.472 1.00 0.00 N ATOM 14 CD2 HIS A 1 -2.573 3.133 6.784 1.00 0.00 C ATOM 15 CE1 HIS A 1 -2.341 2.866 8.942 1.00 0.00 C ATOM 16 NE2 HIS A 1 -2.070 3.678 7.936 1.00 0.00 N ATOM 17 H HIS A 1 -2.706 -0.521 8.088 1.00 0.00 H ATOM 18 HA HIS A 1 -3.828 -1.022 5.467 1.00 0.00 H ATOM 19 HB2 HIS A 1 -3.994 1.449 5.276 1.00 0.00 H ATOM 20 HB3 HIS A 1 -4.839 0.785 6.667 1.00 0.00 H ATOM 21 HD1 HIS A 1 -3.323 1.070 9.017 1.00 0.00 H ATOM 22 HD2 HIS A 1 -2.504 3.552 5.794 1.00 0.00 H ATOM 23 HE1 HIS A 1 -2.064 3.020 9.974 1.00 0.00 H ATOM 24 HE2 HIS A 1 -1.596 4.534 8.006 1.00 0.00 H HETATM 25 C MK8 A 2 0.538 -1.334 3.714 1.00 0.00 C HETATM 26 N MK8 A 2 -0.725 -0.704 5.787 1.00 0.00 N HETATM 27 O MK8 A 2 0.851 -0.722 2.667 1.00 0.00 O HETATM 28 CA MK8 A 2 0.635 -0.676 5.164 1.00 0.00 C HETATM 29 CB MK8 A 2 1.573 -1.487 6.146 1.00 0.00 C HETATM 30 CD MK8 A 2 2.800 -3.289 4.889 1.00 0.00 C HETATM 31 CE MK8 A 2 4.012 -3.994 4.241 1.00 0.00 C HETATM 32 CG MK8 A 2 2.959 -1.991 5.661 1.00 0.00 C HETATM 33 CB1 MK8 A 2 1.154 0.787 5.160 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.798 -1.091 6.691 1.00 0.00 H HETATM 35 HB MK8 A 2 1.017 -2.347 6.476 1.00 0.00 H HETATM 36 HBA MK8 A 2 1.755 -0.868 7.004 1.00 0.00 H HETATM 37 HD MK8 A 2 2.073 -3.102 4.113 1.00 0.00 H HETATM 38 HDA MK8 A 2 2.370 -4.001 5.570 1.00 0.00 H HETATM 39 HE MK8 A 2 4.390 -4.844 4.784 1.00 0.00 H HETATM 40 HG MK8 A 2 3.578 -2.170 6.512 1.00 0.00 H HETATM 41 HGA MK8 A 2 3.404 -1.247 5.027 1.00 0.00 H HETATM 42 HB1 MK8 A 2 0.463 1.417 4.624 1.00 0.00 H HETATM 43 HB1A MK8 A 2 2.120 0.826 4.683 1.00 0.00 H HETATM 44 HB1B MK8 A 2 1.243 1.129 6.180 1.00 0.00 H ATOM 45 N ILE A 3 0.116 -2.653 3.733 1.00 0.00 N ATOM 46 CA ILE A 3 -0.015 -3.528 2.530 1.00 0.00 C ATOM 47 C ILE A 3 -0.821 -2.811 1.423 1.00 0.00 C ATOM 48 O ILE A 3 -0.496 -2.954 0.237 1.00 0.00 O ATOM 49 CB ILE A 3 -0.645 -4.960 2.818 1.00 0.00 C ATOM 50 CG1 ILE A 3 -0.170 -5.606 4.151 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.269 -5.941 1.699 1.00 0.00 C ATOM 52 CD1 ILE A 3 -0.857 -5.077 5.393 1.00 0.00 C ATOM 53 H ILE A 3 -0.070 -3.049 4.601 1.00 0.00 H ATOM 54 HA ILE A 3 0.999 -3.681 2.163 1.00 0.00 H ATOM 55 HB ILE A 3 -1.725 -4.854 2.832 1.00 0.00 H ATOM 56 HG12 ILE A 3 -0.340 -6.674 4.115 1.00 0.00 H ATOM 57 HG13 ILE A 3 0.887 -5.429 4.261 1.00 0.00 H ATOM 58 HG21 ILE A 3 0.581 -6.535 2.010 1.00 0.00 H ATOM 59 HG22 ILE A 3 -0.005 -5.383 0.810 1.00 0.00 H ATOM 60 HG23 ILE A 3 -1.106 -6.583 1.483 1.00 0.00 H ATOM 61 HD11 ILE A 3 -1.773 -5.630 5.564 1.00 0.00 H ATOM 62 HD12 ILE A 3 -1.079 -4.031 5.261 1.00 0.00 H ATOM 63 HD13 ILE A 3 -0.203 -5.197 6.242 1.00 0.00 H ATOM 64 N LEU A 4 -1.851 -2.023 1.874 1.00 0.00 N ATOM 65 CA LEU A 4 -2.741 -1.225 1.009 1.00 0.00 C ATOM 66 C LEU A 4 -1.908 -0.206 0.203 1.00 0.00 C ATOM 67 O LEU A 4 -2.091 -0.087 -1.026 1.00 0.00 O ATOM 68 CB LEU A 4 -3.805 -0.530 1.916 1.00 0.00 C ATOM 69 CG LEU A 4 -4.894 0.313 1.236 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.097 0.419 2.151 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.385 1.713 0.904 1.00 0.00 C ATOM 72 H LEU A 4 -1.993 -1.972 2.843 1.00 0.00 H ATOM 73 HA LEU A 4 -3.236 -1.897 0.325 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.311 -1.300 2.488 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.282 0.107 2.615 1.00 0.00 H ATOM 76 HG LEU A 4 -5.204 -0.165 0.316 1.00 0.00 H ATOM 77 HD11 LEU A 4 -6.926 -0.107 1.710 1.00 0.00 H ATOM 78 HD12 LEU A 4 -6.352 1.459 2.285 1.00 0.00 H ATOM 79 HD13 LEU A 4 -5.865 -0.022 3.112 1.00 0.00 H ATOM 80 HD21 LEU A 4 -5.222 2.362 0.725 1.00 0.00 H ATOM 81 HD22 LEU A 4 -3.763 1.664 0.027 1.00 0.00 H ATOM 82 HD23 LEU A 4 -3.802 2.096 1.733 1.00 0.00 H ATOM 83 N HIS A 5 -1.009 0.514 0.942 1.00 0.00 N ATOM 84 CA HIS A 5 -0.110 1.548 0.404 1.00 0.00 C ATOM 85 C HIS A 5 0.986 0.966 -0.484 1.00 0.00 C ATOM 86 O HIS A 5 1.288 1.537 -1.539 1.00 0.00 O ATOM 87 CB HIS A 5 0.500 2.329 1.565 1.00 0.00 C ATOM 88 CG HIS A 5 -0.074 3.700 1.724 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.248 4.743 0.880 1.00 0.00 N ATOM 90 CD2 HIS A 5 -0.968 4.195 2.614 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.417 5.822 1.248 1.00 0.00 C ATOM 92 NE2 HIS A 5 -1.163 5.513 2.295 1.00 0.00 N ATOM 93 H HIS A 5 -0.964 0.336 1.906 1.00 0.00 H ATOM 94 HA HIS A 5 -0.704 2.221 -0.190 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.316 1.787 2.473 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.564 2.423 1.418 1.00 0.00 H ATOM 97 HD1 HIS A 5 0.865 4.696 0.109 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.454 3.644 3.413 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.330 6.798 0.800 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.759 6.124 2.768 1.00 0.00 H HETATM 101 C MK8 A 6 2.263 -1.194 -2.216 1.00 0.00 C HETATM 102 N MK8 A 6 1.602 -0.187 -0.027 1.00 0.00 N HETATM 103 O MK8 A 6 3.096 -1.460 -3.116 1.00 0.00 O HETATM 104 CA MK8 A 6 2.716 -0.910 -0.743 1.00 0.00 C HETATM 105 CB MK8 A 6 3.007 -2.303 -0.092 1.00 0.00 C HETATM 106 CD MK8 A 6 4.357 -2.521 2.059 1.00 0.00 C HETATM 107 CE MK8 A 6 4.662 -3.681 3.062 1.00 0.00 C HETATM 108 CG MK8 A 6 2.967 -2.412 1.451 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.011 -0.063 -0.701 1.00 0.00 C HETATM 110 HN MK8 A 6 1.301 -0.546 0.822 1.00 0.00 H HETATM 111 HB MK8 A 6 3.983 -2.629 -0.418 1.00 0.00 H HETATM 112 HBA MK8 A 6 2.283 -2.995 -0.480 1.00 0.00 H HETATM 113 HD MK8 A 6 4.564 -1.587 2.565 1.00 0.00 H HETATM 114 HDA MK8 A 6 5.054 -2.619 1.242 1.00 0.00 H HETATM 115 HE MK8 A 6 5.485 -4.325 2.803 1.00 0.00 H HETATM 116 HG MK8 A 6 2.396 -3.293 1.722 1.00 0.00 H HETATM 117 HGA MK8 A 6 2.477 -1.531 1.846 1.00 0.00 H HETATM 118 HB1 MK8 A 6 4.264 0.245 -1.704 1.00 0.00 H HETATM 119 HB1A MK8 A 6 4.811 -0.654 -0.293 1.00 0.00 H HETATM 120 HB1B MK8 A 6 3.857 0.817 -0.081 1.00 0.00 H ATOM 121 N LEU A 7 0.887 -1.169 -2.411 1.00 0.00 N ATOM 122 CA LEU A 7 0.219 -1.431 -3.711 1.00 0.00 C ATOM 123 C LEU A 7 0.154 -0.175 -4.589 1.00 0.00 C ATOM 124 O LEU A 7 0.337 -0.278 -5.809 1.00 0.00 O ATOM 125 CB LEU A 7 -1.223 -1.957 -3.487 1.00 0.00 C ATOM 126 CG LEU A 7 -1.929 -2.622 -4.690 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.465 -4.069 -4.903 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.440 -2.575 -4.502 1.00 0.00 C ATOM 129 H LEU A 7 0.317 -0.988 -1.635 1.00 0.00 H ATOM 130 HA LEU A 7 0.786 -2.191 -4.224 1.00 0.00 H ATOM 131 HB2 LEU A 7 -1.197 -2.673 -2.682 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.828 -1.117 -3.176 1.00 0.00 H ATOM 133 HG LEU A 7 -1.692 -2.061 -5.577 1.00 0.00 H ATOM 134 HD11 LEU A 7 -2.042 -4.724 -4.269 1.00 0.00 H ATOM 135 HD12 LEU A 7 -0.415 -4.158 -4.652 1.00 0.00 H ATOM 136 HD13 LEU A 7 -1.618 -4.345 -5.934 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.692 -2.906 -3.506 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.909 -3.222 -5.226 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.794 -1.565 -4.645 1.00 0.00 H ATOM 140 N LEU A 8 -0.144 0.999 -3.929 1.00 0.00 N ATOM 141 CA LEU A 8 -0.291 2.318 -4.584 1.00 0.00 C ATOM 142 C LEU A 8 1.055 2.937 -4.937 1.00 0.00 C ATOM 143 O LEU A 8 1.157 3.605 -5.981 1.00 0.00 O ATOM 144 CB LEU A 8 -1.079 3.287 -3.659 1.00 0.00 C ATOM 145 CG LEU A 8 -2.422 2.784 -3.050 1.00 0.00 C ATOM 146 CD1 LEU A 8 -2.834 3.703 -1.916 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.568 2.698 -4.070 1.00 0.00 C ATOM 148 H LEU A 8 -0.292 0.956 -2.966 1.00 0.00 H ATOM 149 HA LEU A 8 -0.858 2.180 -5.486 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.429 3.543 -2.834 1.00 0.00 H ATOM 151 HB3 LEU A 8 -1.273 4.190 -4.214 1.00 0.00 H ATOM 152 HG LEU A 8 -2.269 1.790 -2.640 1.00 0.00 H ATOM 153 HD11 LEU A 8 -2.549 4.719 -2.156 1.00 0.00 H ATOM 154 HD12 LEU A 8 -2.344 3.397 -1.007 1.00 0.00 H ATOM 155 HD13 LEU A 8 -3.902 3.656 -1.783 1.00 0.00 H ATOM 156 HD21 LEU A 8 -4.515 2.619 -3.547 1.00 0.00 H ATOM 157 HD22 LEU A 8 -3.425 1.825 -4.681 1.00 0.00 H ATOM 158 HD23 LEU A 8 -3.571 3.579 -4.688 1.00 0.00 H ATOM 159 N GLN A 9 2.069 2.708 -4.034 1.00 0.00 N ATOM 160 CA GLN A 9 3.441 3.235 -4.169 1.00 0.00 C ATOM 161 C GLN A 9 4.207 2.478 -5.252 1.00 0.00 C ATOM 162 O GLN A 9 4.969 3.100 -6.016 1.00 0.00 O ATOM 163 CB GLN A 9 4.195 3.154 -2.828 1.00 0.00 C ATOM 164 CG GLN A 9 3.562 3.986 -1.722 1.00 0.00 C ATOM 165 CD GLN A 9 4.301 3.872 -0.399 1.00 0.00 C ATOM 166 OE1 GLN A 9 4.482 2.778 0.123 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.733 5.008 0.143 1.00 0.00 N ATOM 168 H GLN A 9 1.863 2.175 -3.241 1.00 0.00 H ATOM 169 HA GLN A 9 3.357 4.273 -4.464 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.220 2.125 -2.498 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.211 3.505 -2.969 1.00 0.00 H ATOM 172 HG2 GLN A 9 3.567 5.018 -2.021 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.541 3.663 -1.585 1.00 0.00 H ATOM 174 HE21 GLN A 9 4.551 5.840 -0.328 1.00 0.00 H ATOM 175 HE22 GLN A 9 5.227 4.967 0.991 1.00 0.00 H ATOM 176 N ASP A 10 3.962 1.120 -5.290 1.00 0.00 N ATOM 177 CA ASP A 10 4.592 0.201 -6.257 1.00 0.00 C ATOM 178 C ASP A 10 4.059 0.468 -7.667 1.00 0.00 C ATOM 179 O ASP A 10 4.852 0.580 -8.629 1.00 0.00 O ATOM 180 CB ASP A 10 4.353 -1.266 -5.863 1.00 0.00 C ATOM 181 CG ASP A 10 5.173 -2.235 -6.711 1.00 0.00 C ATOM 182 OD1 ASP A 10 4.986 -2.243 -7.947 1.00 0.00 O ATOM 183 OD2 ASP A 10 6.020 -2.964 -6.144 1.00 0.00 O ATOM 184 H ASP A 10 3.334 0.750 -4.642 1.00 0.00 H ATOM 185 HA ASP A 10 5.657 0.393 -6.243 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.634 -1.404 -4.835 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.312 -1.502 -5.983 1.00 0.00 H ATOM 188 N SER A 11 2.692 0.581 -7.752 1.00 0.00 N ATOM 189 CA SER A 11 1.947 0.846 -8.995 1.00 0.00 C ATOM 190 C SER A 11 2.325 2.205 -9.579 1.00 0.00 C ATOM 191 O SER A 11 2.268 2.400 -10.785 1.00 0.00 O ATOM 192 CB SER A 11 0.437 0.787 -8.720 1.00 0.00 C ATOM 193 OG SER A 11 0.040 -0.517 -8.354 1.00 0.00 O ATOM 194 H SER A 11 2.173 0.482 -6.931 1.00 0.00 H ATOM 195 HA SER A 11 2.202 0.066 -9.708 1.00 0.00 H ATOM 196 HB2 SER A 11 0.177 1.460 -7.920 1.00 0.00 H ATOM 197 HB3 SER A 11 -0.098 1.068 -9.613 1.00 0.00 H ATOM 198 HG SER A 11 -0.902 -0.621 -8.513 1.00 0.00 H HETATM 199 N NH2 A 12 2.632 3.169 -8.711 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.596 2.960 -7.758 1.00 0.00 H HETATM 201 HN2 NH2 A 12 2.892 4.043 -9.059 1.00 0.00 H TER 202 NH2 A 12