HETATM 1 C ACE A 0 5.066 5.653 3.226 1.00 0.00 C HETATM 2 O ACE A 0 4.050 5.095 3.685 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.346 5.642 4.034 1.00 0.00 C HETATM 4 H1 ACE A 0 6.174 6.121 4.986 1.00 0.00 H HETATM 5 H2 ACE A 0 7.116 6.176 3.497 1.00 0.00 H HETATM 6 H3 ACE A 0 6.661 4.622 4.196 1.00 0.00 H ATOM 7 N HIS A 1 5.135 6.310 2.014 1.00 0.00 N ATOM 8 CA HIS A 1 3.999 6.448 1.078 1.00 0.00 C ATOM 9 C HIS A 1 3.748 5.131 0.316 1.00 0.00 C ATOM 10 O HIS A 1 2.612 4.903 -0.140 1.00 0.00 O ATOM 11 CB HIS A 1 4.266 7.606 0.096 1.00 0.00 C ATOM 12 CG HIS A 1 3.034 8.126 -0.592 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.226 7.336 -1.382 1.00 0.00 N ATOM 14 CD2 HIS A 1 2.475 9.361 -0.602 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.225 8.061 -1.848 1.00 0.00 C ATOM 16 NE2 HIS A 1 1.352 9.292 -1.389 1.00 0.00 N ATOM 17 H HIS A 1 5.990 6.725 1.765 1.00 0.00 H ATOM 18 HA HIS A 1 3.122 6.687 1.662 1.00 0.00 H ATOM 19 HB2 HIS A 1 4.713 8.427 0.635 1.00 0.00 H ATOM 20 HB3 HIS A 1 4.953 7.273 -0.667 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.367 6.385 -1.574 1.00 0.00 H ATOM 22 HD2 HIS A 1 2.846 10.239 -0.091 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.437 7.707 -2.496 1.00 0.00 H ATOM 24 HE2 HIS A 1 0.680 9.999 -1.481 1.00 0.00 H ATOM 25 N LYS A 2 4.838 4.288 0.185 1.00 0.00 N ATOM 26 CA LYS A 2 4.801 2.979 -0.527 1.00 0.00 C ATOM 27 C LYS A 2 4.004 1.891 0.218 1.00 0.00 C ATOM 28 O LYS A 2 3.190 1.180 -0.405 1.00 0.00 O ATOM 29 CB LYS A 2 6.218 2.457 -0.829 1.00 0.00 C ATOM 30 CG LYS A 2 6.937 3.193 -1.959 1.00 0.00 C ATOM 31 CD LYS A 2 8.281 2.546 -2.275 1.00 0.00 C ATOM 32 CE LYS A 2 9.057 3.324 -3.333 1.00 0.00 C ATOM 33 NZ LYS A 2 10.343 2.657 -3.680 1.00 0.00 N ATOM 34 H LYS A 2 5.687 4.576 0.579 1.00 0.00 H ATOM 35 HA LYS A 2 4.305 3.157 -1.469 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.820 2.537 0.060 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.147 1.416 -1.103 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.318 3.163 -2.843 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.104 4.217 -1.668 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.870 2.506 -1.372 1.00 0.00 H ATOM 41 HD3 LYS A 2 8.107 1.542 -2.636 1.00 0.00 H ATOM 42 HE2 LYS A 2 8.454 3.401 -4.225 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.269 4.314 -2.955 1.00 0.00 H ATOM 44 HZ1 LYS A 2 10.179 1.910 -4.386 1.00 0.00 H ATOM 45 HZ2 LYS A 2 10.766 2.229 -2.832 1.00 0.00 H ATOM 46 HZ3 LYS A 2 11.010 3.351 -4.075 1.00 0.00 H HETATM 47 C MK8 A 3 2.066 0.572 2.145 1.00 0.00 C HETATM 48 N MK8 A 3 4.269 1.715 1.581 1.00 0.00 N HETATM 49 O MK8 A 3 1.516 -0.495 1.782 1.00 0.00 O HETATM 50 CA MK8 A 3 3.621 0.658 2.455 1.00 0.00 C HETATM 51 CB MK8 A 3 3.824 1.052 3.983 1.00 0.00 C HETATM 52 CD MK8 A 3 1.702 0.203 5.288 1.00 0.00 C HETATM 53 CE MK8 A 3 1.058 -0.401 6.560 1.00 0.00 C HETATM 54 CG MK8 A 3 3.228 0.150 5.139 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.421 -0.653 2.139 1.00 0.00 C HETATM 56 HN MK8 A 3 4.946 2.284 1.993 1.00 0.00 H HETATM 57 HB MK8 A 3 3.416 2.045 4.115 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.884 1.111 4.161 1.00 0.00 H HETATM 59 HD MK8 A 3 1.285 -0.323 4.437 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.394 1.232 5.223 1.00 0.00 H HETATM 61 HE MK8 A 3 1.651 -0.367 7.464 1.00 0.00 H HETATM 62 HG MK8 A 3 3.678 0.458 6.074 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.505 -0.874 4.945 1.00 0.00 H HETATM 64 HB1 MK8 A 3 5.168 -0.812 2.903 1.00 0.00 H HETATM 65 HB1A MK8 A 3 4.904 -0.557 1.179 1.00 0.00 H HETATM 66 HB1B MK8 A 3 3.741 -1.492 2.117 1.00 0.00 H ATOM 67 N LEU A 4 1.371 1.763 2.361 1.00 0.00 N ATOM 68 CA LEU A 4 -0.101 1.917 2.191 1.00 0.00 C ATOM 69 C LEU A 4 -0.575 1.412 0.830 1.00 0.00 C ATOM 70 O LEU A 4 -1.678 0.834 0.754 1.00 0.00 O ATOM 71 CB LEU A 4 -0.561 3.377 2.433 1.00 0.00 C ATOM 72 CG LEU A 4 -2.088 3.602 2.623 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.557 3.242 4.039 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.455 5.042 2.300 1.00 0.00 C ATOM 75 H LEU A 4 1.881 2.539 2.675 1.00 0.00 H ATOM 76 HA LEU A 4 -0.560 1.296 2.940 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.063 3.741 3.319 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.238 3.974 1.593 1.00 0.00 H ATOM 79 HG LEU A 4 -2.620 2.964 1.932 1.00 0.00 H ATOM 80 HD11 LEU A 4 -2.297 2.214 4.254 1.00 0.00 H ATOM 81 HD12 LEU A 4 -3.628 3.361 4.105 1.00 0.00 H ATOM 82 HD13 LEU A 4 -2.076 3.891 4.755 1.00 0.00 H ATOM 83 HD21 LEU A 4 -3.363 5.059 1.715 1.00 0.00 H ATOM 84 HD22 LEU A 4 -1.656 5.500 1.737 1.00 0.00 H ATOM 85 HD23 LEU A 4 -2.609 5.589 3.219 1.00 0.00 H ATOM 86 N HIS A 5 0.289 1.623 -0.231 1.00 0.00 N ATOM 87 CA HIS A 5 0.015 1.187 -1.618 1.00 0.00 C ATOM 88 C HIS A 5 -0.176 -0.341 -1.645 1.00 0.00 C ATOM 89 O HIS A 5 -1.073 -0.843 -2.344 1.00 0.00 O ATOM 90 CB HIS A 5 1.155 1.643 -2.545 1.00 0.00 C ATOM 91 CG HIS A 5 0.825 1.585 -4.011 1.00 0.00 C ATOM 92 ND1 HIS A 5 -0.242 2.260 -4.566 1.00 0.00 N ATOM 93 CD2 HIS A 5 1.429 0.934 -5.035 1.00 0.00 C ATOM 94 CE1 HIS A 5 -0.282 2.025 -5.866 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.721 1.225 -6.176 1.00 0.00 N ATOM 96 H HIS A 5 1.137 2.078 -0.053 1.00 0.00 H ATOM 97 HA HIS A 5 -0.903 1.655 -1.933 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.403 2.669 -2.308 1.00 0.00 H ATOM 99 HB3 HIS A 5 2.018 1.023 -2.371 1.00 0.00 H ATOM 100 HD1 HIS A 5 -0.873 2.830 -4.080 1.00 0.00 H ATOM 101 HD2 HIS A 5 2.309 0.310 -4.970 1.00 0.00 H ATOM 102 HE1 HIS A 5 -1.011 2.420 -6.558 1.00 0.00 H ATOM 103 HE2 HIS A 5 0.861 0.810 -7.052 1.00 0.00 H ATOM 104 N GLN A 6 0.697 -1.043 -0.843 1.00 0.00 N ATOM 105 CA GLN A 6 0.692 -2.521 -0.695 1.00 0.00 C ATOM 106 C GLN A 6 -0.580 -3.042 0.005 1.00 0.00 C ATOM 107 O GLN A 6 -1.246 -3.936 -0.538 1.00 0.00 O ATOM 108 CB GLN A 6 1.934 -3.017 0.072 1.00 0.00 C ATOM 109 CG GLN A 6 3.190 -3.185 -0.782 1.00 0.00 C ATOM 110 CD GLN A 6 4.294 -3.932 -0.054 1.00 0.00 C ATOM 111 OE1 GLN A 6 4.709 -3.538 1.034 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.787 -5.010 -0.658 1.00 0.00 N ATOM 113 H GLN A 6 1.367 -0.524 -0.349 1.00 0.00 H ATOM 114 HA GLN A 6 0.716 -2.939 -1.691 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.161 -2.317 0.859 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.702 -3.972 0.517 1.00 0.00 H ATOM 117 HG2 GLN A 6 2.933 -3.730 -1.674 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.568 -2.215 -1.054 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.419 -5.262 -1.530 1.00 0.00 H ATOM 120 HE22 GLN A 6 5.500 -5.508 -0.206 1.00 0.00 H HETATM 121 C MK8 A 7 -3.386 -2.749 1.228 1.00 0.00 C HETATM 122 N MK8 A 7 -0.892 -2.486 1.241 1.00 0.00 N HETATM 123 O MK8 A 7 -4.373 -3.531 1.383 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.067 -2.882 2.086 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.224 -1.895 3.298 1.00 0.00 C HETATM 126 CD MK8 A 7 -1.297 -1.199 5.564 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.192 -0.988 6.670 1.00 0.00 C HETATM 128 CG MK8 A 7 -0.950 -1.466 4.084 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.853 -4.333 2.643 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.306 -1.803 1.594 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.907 -2.346 4.004 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.680 -0.992 2.927 1.00 0.00 H HETATM 133 HD MK8 A 7 -1.914 -2.031 5.888 1.00 0.00 H HETATM 134 HDA MK8 A 7 -1.914 -0.319 5.589 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.448 -1.345 7.659 1.00 0.00 H HETATM 136 HG MK8 A 7 -0.559 -0.554 3.650 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.210 -2.252 4.012 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -1.239 -4.288 3.532 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -1.361 -4.938 1.898 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -2.810 -4.768 2.888 1.00 0.00 H ATOM 141 N LEU A 8 -3.392 -1.672 0.354 1.00 0.00 N ATOM 142 CA LEU A 8 -4.540 -1.307 -0.522 1.00 0.00 C ATOM 143 C LEU A 8 -4.865 -2.387 -1.572 1.00 0.00 C ATOM 144 O LEU A 8 -6.052 -2.547 -1.916 1.00 0.00 O ATOM 145 CB LEU A 8 -4.293 0.053 -1.217 1.00 0.00 C ATOM 146 CG LEU A 8 -5.532 0.740 -1.849 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.367 1.486 -0.806 1.00 0.00 C ATOM 148 CD2 LEU A 8 -5.107 1.690 -2.958 1.00 0.00 C ATOM 149 H LEU A 8 -2.600 -1.091 0.340 1.00 0.00 H ATOM 150 HA LEU A 8 -5.400 -1.198 0.123 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.871 0.730 -0.488 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.565 -0.101 -1.997 1.00 0.00 H ATOM 153 HG LEU A 8 -6.163 -0.019 -2.289 1.00 0.00 H ATOM 154 HD11 LEU A 8 -7.409 1.224 -0.923 1.00 0.00 H ATOM 155 HD12 LEU A 8 -6.247 2.550 -0.942 1.00 0.00 H ATOM 156 HD13 LEU A 8 -6.036 1.209 0.184 1.00 0.00 H ATOM 157 HD21 LEU A 8 -5.392 1.276 -3.914 1.00 0.00 H ATOM 158 HD22 LEU A 8 -4.037 1.825 -2.927 1.00 0.00 H ATOM 159 HD23 LEU A 8 -5.596 2.644 -2.820 1.00 0.00 H ATOM 160 N GLN A 9 -3.788 -3.082 -2.096 1.00 0.00 N ATOM 161 CA GLN A 9 -3.909 -4.124 -3.157 1.00 0.00 C ATOM 162 C GLN A 9 -4.325 -5.512 -2.637 1.00 0.00 C ATOM 163 O GLN A 9 -5.225 -6.129 -3.243 1.00 0.00 O ATOM 164 CB GLN A 9 -2.597 -4.246 -3.957 1.00 0.00 C ATOM 165 CG GLN A 9 -2.344 -3.105 -4.949 1.00 0.00 C ATOM 166 CD GLN A 9 -3.310 -3.088 -6.132 1.00 0.00 C ATOM 167 OE1 GLN A 9 -4.526 -3.075 -5.951 1.00 0.00 O ATOM 168 NE2 GLN A 9 -2.767 -3.071 -7.348 1.00 0.00 N ATOM 169 H GLN A 9 -2.892 -2.847 -1.775 1.00 0.00 H ATOM 170 HA GLN A 9 -4.672 -3.783 -3.840 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.770 -4.272 -3.264 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.615 -5.175 -4.508 1.00 0.00 H ATOM 173 HG2 GLN A 9 -2.433 -2.168 -4.425 1.00 0.00 H ATOM 174 HG3 GLN A 9 -1.338 -3.205 -5.332 1.00 0.00 H ATOM 175 HE21 GLN A 9 -1.789 -3.071 -7.420 1.00 0.00 H ATOM 176 HE22 GLN A 9 -3.368 -3.058 -8.125 1.00 0.00 H ATOM 177 N ASP A 10 -3.626 -6.005 -1.550 1.00 0.00 N ATOM 178 CA ASP A 10 -3.854 -7.350 -0.950 1.00 0.00 C ATOM 179 C ASP A 10 -5.225 -7.503 -0.254 1.00 0.00 C ATOM 180 O ASP A 10 -5.556 -8.644 0.131 1.00 0.00 O ATOM 181 CB ASP A 10 -2.710 -7.702 0.027 1.00 0.00 C ATOM 182 CG ASP A 10 -2.758 -9.146 0.504 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.692 -10.054 -0.350 1.00 0.00 O ATOM 184 OD2 ASP A 10 -2.862 -9.364 1.728 1.00 0.00 O ATOM 185 H ASP A 10 -2.909 -5.453 -1.176 1.00 0.00 H ATOM 186 HA ASP A 10 -3.823 -8.060 -1.765 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.761 -7.547 -0.466 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.764 -7.059 0.893 1.00 0.00 H ATOM 189 N SER A 11 -6.006 -6.361 -0.100 1.00 0.00 N ATOM 190 CA SER A 11 -7.348 -6.361 0.556 1.00 0.00 C ATOM 191 C SER A 11 -8.477 -6.804 -0.430 1.00 0.00 C ATOM 192 O SER A 11 -8.732 -8.002 -0.539 1.00 0.00 O ATOM 193 CB SER A 11 -7.619 -5.005 1.257 1.00 0.00 C ATOM 194 OG SER A 11 -7.319 -3.917 0.401 1.00 0.00 O ATOM 195 H SER A 11 -5.654 -5.510 -0.435 1.00 0.00 H ATOM 196 HA SER A 11 -7.300 -7.123 1.326 1.00 0.00 H ATOM 197 HB2 SER A 11 -8.661 -4.951 1.530 1.00 0.00 H ATOM 198 HB3 SER A 11 -7.014 -4.932 2.150 1.00 0.00 H ATOM 199 HG SER A 11 -8.106 -3.667 -0.088 1.00 0.00 H HETATM 200 N NH2 A 12 -9.175 -5.888 -1.135 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -8.966 -4.941 -1.015 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -9.874 -6.211 -1.742 1.00 0.00 H TER 203 NH2 A 12