HETATM 1 C ACE A 0 -3.253 -11.884 -3.424 1.00 1.00 C HETATM 2 O ACE A 0 -2.559 -12.566 -4.177 1.00 1.00 O HETATM 3 CH3 ACE A 0 -4.679 -12.240 -3.181 1.00 1.00 C HETATM 4 H1 ACE A 0 -4.843 -12.371 -2.111 1.00 1.00 H HETATM 5 H2 ACE A 0 -4.916 -13.167 -3.701 1.00 1.00 H HETATM 6 H3 ACE A 0 -5.321 -11.441 -3.552 1.00 1.00 H ATOM 7 N ASP A 1 -2.825 -10.809 -2.778 1.00 1.00 N ATOM 8 CA ASP A 1 -1.454 -10.348 -2.916 1.00 1.00 C ATOM 9 C ASP A 1 -0.532 -11.067 -1.929 1.00 1.00 C ATOM 10 O ASP A 1 -0.996 -11.644 -0.948 1.00 1.00 O ATOM 11 CB ASP A 1 -1.475 -8.856 -2.581 1.00 1.00 C ATOM 12 CG ASP A 1 -2.268 -7.985 -3.558 1.00 1.00 C ATOM 13 OD1 ASP A 1 -1.691 -7.649 -4.615 1.00 1.00 O ATOM 14 OD2 ASP A 1 -3.432 -7.676 -3.226 1.00 1.00 O ATOM 15 H ASP A 1 -3.397 -10.258 -2.170 1.00 1.00 H ATOM 16 HA ASP A 1 -1.128 -10.566 -3.933 1.00 1.00 H ATOM 17 HB2 ASP A 1 -1.893 -8.729 -1.583 1.00 1.00 H ATOM 18 HB3 ASP A 1 -0.448 -8.493 -2.545 1.00 1.00 H ATOM 19 N ALA A 2 0.758 -11.008 -2.225 1.00 1.00 N ATOM 20 CA ALA A 2 1.758 -11.554 -1.323 1.00 1.00 C ATOM 21 C ALA A 2 2.173 -10.478 -0.317 1.00 1.00 C ATOM 22 O ALA A 2 1.689 -9.349 -0.376 1.00 1.00 O ATOM 23 CB ALA A 2 2.943 -12.083 -2.133 1.00 1.00 C ATOM 24 H ALA A 2 1.123 -10.598 -3.061 1.00 1.00 H ATOM 25 HA ALA A 2 1.302 -12.385 -0.785 1.00 1.00 H ATOM 26 HB1 ALA A 2 2.586 -12.801 -2.872 1.00 1.00 H ATOM 27 HB2 ALA A 2 3.435 -11.254 -2.641 1.00 1.00 H ATOM 28 HB3 ALA A 2 3.652 -12.572 -1.464 1.00 1.00 H ATOM 29 N GLU A 3 3.066 -10.866 0.582 1.00 1.00 N ATOM 30 CA GLU A 3 3.530 -9.957 1.616 1.00 1.00 C ATOM 31 C GLU A 3 4.318 -8.803 0.993 1.00 1.00 C ATOM 32 O GLU A 3 4.668 -7.844 1.679 1.00 1.00 O ATOM 33 CB GLU A 3 4.373 -10.696 2.657 1.00 1.00 C ATOM 34 CG GLU A 3 3.504 -11.627 3.505 1.00 1.00 C ATOM 35 CD GLU A 3 2.508 -10.830 4.350 1.00 1.00 C ATOM 36 OE1 GLU A 3 2.935 -10.341 5.418 1.00 1.00 O ATOM 37 OE2 GLU A 3 1.343 -10.728 3.909 1.00 1.00 O ATOM 38 H GLU A 3 3.468 -11.781 0.611 1.00 1.00 H ATOM 39 HA GLU A 3 2.628 -9.575 2.093 1.00 1.00 H ATOM 40 HB2 GLU A 3 5.151 -11.274 2.158 1.00 1.00 H ATOM 41 HB3 GLU A 3 4.875 -9.975 3.302 1.00 1.00 H ATOM 42 HG2 GLU A 3 2.965 -12.318 2.856 1.00 1.00 H ATOM 43 HG3 GLU A 3 4.138 -12.230 4.156 1.00 1.00 H ATOM 44 N PHE A 4 4.572 -8.933 -0.301 1.00 1.00 N ATOM 45 CA PHE A 4 5.332 -7.923 -1.019 1.00 1.00 C ATOM 46 C PHE A 4 4.495 -6.662 -1.240 1.00 1.00 C ATOM 47 O PHE A 4 5.034 -5.603 -1.558 1.00 1.00 O ATOM 48 CB PHE A 4 5.699 -8.522 -2.378 1.00 1.00 C ATOM 49 CG PHE A 4 6.874 -9.501 -2.330 1.00 1.00 C ATOM 50 CD1 PHE A 4 6.668 -10.792 -1.953 1.00 1.00 C ATOM 51 CD2 PHE A 4 8.123 -9.081 -2.664 1.00 1.00 C ATOM 52 CE1 PHE A 4 7.759 -11.700 -1.908 1.00 1.00 C ATOM 53 CE2 PHE A 4 9.214 -9.990 -2.619 1.00 1.00 C ATOM 54 CZ PHE A 4 9.008 -11.280 -2.242 1.00 1.00 C ATOM 55 H PHE A 4 4.270 -9.708 -0.855 1.00 1.00 H ATOM 56 HA PHE A 4 6.201 -7.678 -0.409 1.00 1.00 H ATOM 57 HB2 PHE A 4 4.828 -9.036 -2.785 1.00 1.00 H ATOM 58 HB3 PHE A 4 5.942 -7.713 -3.067 1.00 1.00 H ATOM 59 HD1 PHE A 4 5.667 -11.129 -1.685 1.00 1.00 H ATOM 60 HD2 PHE A 4 8.288 -8.047 -2.966 1.00 1.00 H ATOM 61 HE1 PHE A 4 7.594 -12.735 -1.606 1.00 1.00 H ATOM 62 HE2 PHE A 4 10.215 -9.653 -2.887 1.00 1.00 H ATOM 63 HZ PHE A 4 9.845 -11.977 -2.208 1.00 1.00 H ATOM 64 N ARG A 5 3.191 -6.817 -1.064 1.00 1.00 N ATOM 65 CA ARG A 5 2.274 -5.703 -1.240 1.00 1.00 C ATOM 66 C ARG A 5 1.239 -5.685 -0.114 1.00 1.00 C ATOM 67 O ARG A 5 0.642 -6.713 0.202 1.00 1.00 O ATOM 68 CB ARG A 5 1.552 -5.791 -2.586 1.00 1.00 C ATOM 69 CG ARG A 5 1.159 -4.401 -3.089 1.00 1.00 C ATOM 70 CD ARG A 5 0.234 -4.499 -4.304 1.00 1.00 C ATOM 71 NE ARG A 5 -1.085 -5.031 -3.894 1.00 1.00 N ATOM 72 CZ ARG A 5 -1.964 -4.359 -3.139 1.00 1.00 C ATOM 73 NH1 ARG A 5 -1.763 -3.062 -2.870 1.00 1.00 N ATOM 74 NH2 ARG A 5 -3.045 -4.984 -2.652 1.00 1.00 N ATOM 75 H ARG A 5 2.760 -7.682 -0.807 1.00 1.00 H ATOM 76 HA ARG A 5 2.905 -4.815 -1.207 1.00 1.00 H ATOM 77 HB2 ARG A 5 2.197 -6.278 -3.318 1.00 1.00 H ATOM 78 HB3 ARG A 5 0.661 -6.411 -2.485 1.00 1.00 H ATOM 79 HG2 ARG A 5 0.661 -3.849 -2.292 1.00 1.00 H ATOM 80 HG3 ARG A 5 2.055 -3.840 -3.355 1.00 1.00 H ATOM 81 HD2 ARG A 5 0.113 -3.516 -4.760 1.00 1.00 H ATOM 82 HD3 ARG A 5 0.678 -5.148 -5.059 1.00 1.00 H ATOM 83 HE ARG A 5 -1.335 -5.950 -4.200 1.00 1.00 H ATOM 84 HH11 ARG A 5 -1.017 -2.569 -3.317 1.00 1.00 H ATOM 85 HH12 ARG A 5 -2.359 -2.587 -2.222 1.00 1.00 H ATOM 86 HH21 ARG A 5 -3.240 -5.928 -2.920 1.00 1.00 H ATOM 87 HH22 ARG A 5 -3.657 -4.507 -2.021 1.00 1.00 H ATOM 88 N HIS A 6 1.057 -4.505 0.461 1.00 1.00 N ATOM 89 CA HIS A 6 0.123 -4.346 1.562 1.00 1.00 C ATOM 90 C HIS A 6 -0.568 -2.985 1.456 1.00 1.00 C ATOM 91 O HIS A 6 -0.049 -2.069 0.819 1.00 1.00 O ATOM 92 CB HIS A 6 0.827 -4.550 2.906 1.00 1.00 C ATOM 93 CG HIS A 6 0.585 -5.905 3.526 1.00 1.00 C ATOM 94 ND1 HIS A 6 -0.429 -6.142 4.437 1.00 1.00 N ATOM 95 CD2 HIS A 6 1.235 -7.092 3.356 1.00 1.00 C ATOM 96 CE1 HIS A 6 -0.382 -7.417 4.794 1.00 1.00 C ATOM 97 NE2 HIS A 6 0.651 -8.004 4.123 1.00 1.00 N ATOM 98 H HIS A 6 1.534 -3.670 0.187 1.00 1.00 H ATOM 99 HA HIS A 6 -0.624 -5.132 1.456 1.00 1.00 H ATOM 100 HB2 HIS A 6 1.899 -4.411 2.767 1.00 1.00 H ATOM 101 HB3 HIS A 6 0.492 -3.779 3.600 1.00 1.00 H ATOM 102 HD2 HIS A 6 2.090 -7.262 2.701 1.00 1.00 H ATOM 103 HE1 HIS A 6 -1.050 -7.911 5.499 1.00 1.00 H ATOM 104 HE2 HIS A 6 0.887 -8.975 4.154 1.00 1.00 H ATOM 105 N ASP A 7 -1.728 -2.895 2.089 1.00 1.00 N ATOM 106 CA ASP A 7 -2.494 -1.660 2.078 1.00 1.00 C ATOM 107 C ASP A 7 -2.986 -1.356 3.494 1.00 1.00 C ATOM 108 O ASP A 7 -3.069 -0.194 3.890 1.00 1.00 O ATOM 109 CB ASP A 7 -3.718 -1.779 1.168 1.00 1.00 C ATOM 110 CG ASP A 7 -3.406 -2.086 -0.299 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.767 -1.220 -0.936 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.814 -3.178 -0.749 1.00 1.00 O ATOM 113 H ASP A 7 -2.145 -3.645 2.603 1.00 1.00 H ATOM 114 HA ASP A 7 -1.807 -0.901 1.703 1.00 1.00 H ATOM 115 HB2 ASP A 7 -4.367 -2.564 1.557 1.00 1.00 H ATOM 116 HB3 ASP A 7 -4.281 -0.847 1.216 1.00 1.00 H ATOM 117 N SER A 8 -3.298 -2.420 4.219 1.00 1.00 N ATOM 118 CA SER A 8 -3.758 -2.283 5.590 1.00 1.00 C ATOM 119 C SER A 8 -2.641 -1.707 6.462 1.00 1.00 C ATOM 120 O SER A 8 -2.908 -1.011 7.440 1.00 1.00 O ATOM 121 CB SER A 8 -4.229 -3.627 6.150 1.00 1.00 C ATOM 122 OG SER A 8 -5.229 -4.226 5.330 1.00 1.00 O ATOM 123 H SER A 8 -3.242 -3.361 3.884 1.00 1.00 H ATOM 124 HA SER A 8 -4.601 -1.594 5.544 1.00 1.00 H ATOM 125 HB2 SER A 8 -3.378 -4.302 6.236 1.00 1.00 H ATOM 126 HB3 SER A 8 -4.624 -3.482 7.156 1.00 1.00 H ATOM 127 HG SER A 8 -6.070 -3.686 5.367 1.00 1.00 H ATOM 128 N GLY A 9 -1.412 -2.019 6.076 1.00 1.00 N ATOM 129 CA GLY A 9 -0.252 -1.491 6.773 1.00 1.00 C ATOM 130 C GLY A 9 0.449 -0.419 5.936 1.00 1.00 C ATOM 131 O GLY A 9 1.634 -0.542 5.630 1.00 1.00 O ATOM 132 H GLY A 9 -1.204 -2.620 5.304 1.00 1.00 H ATOM 133 HA2 GLY A 9 -0.559 -1.068 7.729 1.00 1.00 H ATOM 134 HA3 GLY A 9 0.445 -2.300 6.991 1.00 1.00 H ATOM 135 N TYR A 10 -0.312 0.608 5.590 1.00 1.00 N ATOM 136 CA TYR A 10 0.213 1.686 4.770 1.00 1.00 C ATOM 137 C TYR A 10 -0.351 3.038 5.213 1.00 1.00 C ATOM 138 O TYR A 10 -1.338 3.092 5.945 1.00 1.00 O ATOM 139 CB TYR A 10 -0.255 1.396 3.342 1.00 1.00 C ATOM 140 CG TYR A 10 0.573 2.095 2.262 1.00 1.00 C ATOM 141 CD1 TYR A 10 1.734 1.511 1.796 1.00 1.00 C ATOM 142 CD2 TYR A 10 0.160 3.310 1.754 1.00 1.00 C ATOM 143 CE1 TYR A 10 2.513 2.169 0.779 1.00 1.00 C ATOM 144 CE2 TYR A 10 0.939 3.967 0.737 1.00 1.00 C ATOM 145 CZ TYR A 10 2.077 3.365 0.300 1.00 1.00 C ATOM 146 OH TYR A 10 2.813 3.986 -0.661 1.00 1.00 O ATOM 147 H TYR A 10 -1.270 0.711 5.860 1.00 1.00 H ATOM 148 HA TYR A 10 1.297 1.699 4.883 1.00 1.00 H ATOM 149 HB2 TYR A 10 -0.221 0.320 3.172 1.00 1.00 H ATOM 150 HB3 TYR A 10 -1.296 1.702 3.242 1.00 1.00 H ATOM 151 HD1 TYR A 10 2.060 0.552 2.197 1.00 1.00 H ATOM 152 HD2 TYR A 10 -0.757 3.771 2.122 1.00 1.00 H ATOM 153 HE1 TYR A 10 3.431 1.719 0.402 1.00 1.00 H ATOM 154 HE2 TYR A 10 0.624 4.927 0.327 1.00 1.00 H ATOM 155 HH TYR A 10 2.390 4.859 -0.904 1.00 1.00 H ATOM 156 N GLU A 11 0.300 4.095 4.751 1.00 1.00 N ATOM 157 CA GLU A 11 -0.131 5.443 5.083 1.00 1.00 C ATOM 158 C GLU A 11 -0.133 6.323 3.832 1.00 1.00 C ATOM 159 O GLU A 11 0.594 6.052 2.877 1.00 1.00 O ATOM 160 CB GLU A 11 0.753 6.046 6.177 1.00 1.00 C ATOM 161 CG GLU A 11 -0.006 6.149 7.501 1.00 1.00 C ATOM 162 CD GLU A 11 -0.877 7.407 7.537 1.00 1.00 C ATOM 163 OE1 GLU A 11 -1.625 7.607 6.556 1.00 1.00 O ATOM 164 OE2 GLU A 11 -0.775 8.139 8.545 1.00 1.00 O ATOM 165 H GLU A 11 1.105 4.042 4.161 1.00 1.00 H ATOM 166 HA GLU A 11 -1.147 5.337 5.463 1.00 1.00 H ATOM 167 HB2 GLU A 11 1.643 5.432 6.311 1.00 1.00 H ATOM 168 HB3 GLU A 11 1.092 7.036 5.870 1.00 1.00 H ATOM 169 HG2 GLU A 11 -0.631 5.266 7.636 1.00 1.00 H ATOM 170 HG3 GLU A 11 0.701 6.169 8.329 1.00 1.00 H ATOM 171 N VAL A 12 -0.957 7.359 3.877 1.00 1.00 N ATOM 172 CA VAL A 12 -1.112 8.242 2.734 1.00 1.00 C ATOM 173 C VAL A 12 0.079 9.200 2.669 1.00 1.00 C ATOM 174 O VAL A 12 0.039 10.200 1.955 1.00 1.00 O ATOM 175 CB VAL A 12 -2.458 8.967 2.812 1.00 1.00 C ATOM 176 CG1 VAL A 12 -2.394 10.137 3.796 1.00 1.00 C ATOM 177 CG2 VAL A 12 -2.907 9.439 1.427 1.00 1.00 C ATOM 178 H VAL A 12 -1.512 7.597 4.674 1.00 1.00 H ATOM 179 HA VAL A 12 -1.114 7.623 1.837 1.00 1.00 H ATOM 180 HB VAL A 12 -3.199 8.259 3.181 1.00 1.00 H ATOM 181 HG11 VAL A 12 -1.958 9.798 4.735 1.00 1.00 H ATOM 182 HG12 VAL A 12 -1.779 10.933 3.375 1.00 1.00 H ATOM 183 HG13 VAL A 12 -3.400 10.514 3.977 1.00 1.00 H ATOM 184 HG21 VAL A 12 -3.937 9.792 1.480 1.00 1.00 H ATOM 185 HG22 VAL A 12 -2.261 10.251 1.093 1.00 1.00 H ATOM 186 HG23 VAL A 12 -2.843 8.609 0.723 1.00 1.00 H ATOM 187 N HIS A 13 1.113 8.859 3.425 1.00 1.00 N ATOM 188 CA HIS A 13 2.318 9.670 3.456 1.00 1.00 C ATOM 189 C HIS A 13 3.111 9.460 2.164 1.00 1.00 C ATOM 190 O HIS A 13 3.637 10.414 1.593 1.00 1.00 O ATOM 191 CB HIS A 13 3.141 9.374 4.711 1.00 1.00 C ATOM 192 CG HIS A 13 2.463 9.777 5.999 1.00 1.00 C ATOM 193 ND1 HIS A 13 3.124 10.439 7.019 1.00 1.00 N ATOM 194 CD2 HIS A 13 1.177 9.606 6.420 1.00 1.00 C ATOM 195 CE1 HIS A 13 2.265 10.650 8.006 1.00 1.00 C ATOM 196 NE2 HIS A 13 1.059 10.133 7.633 1.00 1.00 N ATOM 197 H HIS A 13 1.136 8.046 4.008 1.00 1.00 H ATOM 198 HA HIS A 13 1.994 10.709 3.508 1.00 1.00 H ATOM 199 HB2 HIS A 13 3.360 8.307 4.746 1.00 1.00 H ATOM 200 HB3 HIS A 13 4.096 9.894 4.638 1.00 1.00 H ATOM 201 HD2 HIS A 13 0.381 9.119 5.857 1.00 1.00 H ATOM 202 HE1 HIS A 13 2.484 11.150 8.949 1.00 1.00 H ATOM 203 HE2 HIS A 13 0.211 10.199 8.158 1.00 1.00 H ATOM 204 N HIS A 14 3.171 8.206 1.741 1.00 1.00 N ATOM 205 CA HIS A 14 3.887 7.860 0.526 1.00 1.00 C ATOM 206 C HIS A 14 2.894 7.694 -0.626 1.00 1.00 C ATOM 207 O HIS A 14 1.787 7.196 -0.429 1.00 1.00 O ATOM 208 CB HIS A 14 4.756 6.619 0.742 1.00 1.00 C ATOM 209 CG HIS A 14 5.656 6.288 -0.425 1.00 1.00 C ATOM 210 ND1 HIS A 14 6.413 7.243 -1.082 1.00 1.00 N ATOM 211 CD2 HIS A 14 5.912 5.100 -1.044 1.00 1.00 C ATOM 212 CE1 HIS A 14 7.090 6.645 -2.052 1.00 1.00 C ATOM 213 NE2 HIS A 14 6.778 5.317 -2.027 1.00 1.00 N ATOM 214 H HIS A 14 2.742 7.436 2.213 1.00 1.00 H ATOM 215 HA HIS A 14 4.551 8.696 0.304 1.00 1.00 H ATOM 216 HB2 HIS A 14 5.371 6.769 1.630 1.00 1.00 H ATOM 217 HB3 HIS A 14 4.109 5.765 0.942 1.00 1.00 H ATOM 218 HD2 HIS A 14 5.480 4.136 -0.777 1.00 1.00 H ATOM 219 HE1 HIS A 14 7.775 7.129 -2.747 1.00 1.00 H ATOM 220 HE2 HIS A 14 7.184 4.614 -2.610 1.00 1.00 H ATOM 221 N GLN A 15 3.326 8.121 -1.804 1.00 1.00 N ATOM 222 CA GLN A 15 2.482 8.040 -2.984 1.00 1.00 C ATOM 223 C GLN A 15 2.209 6.578 -3.342 1.00 1.00 C ATOM 224 O GLN A 15 3.016 5.700 -3.041 1.00 1.00 O ATOM 225 CB GLN A 15 3.115 8.784 -4.162 1.00 1.00 C ATOM 226 CG GLN A 15 3.139 10.293 -3.909 1.00 1.00 C ATOM 227 CD GLN A 15 3.721 11.042 -5.109 1.00 1.00 C ATOM 228 OE1 GLN A 15 4.778 10.716 -5.624 1.00 1.00 O ATOM 229 NE2 GLN A 15 2.974 12.060 -5.526 1.00 1.00 N ATOM 230 H GLN A 15 4.231 8.516 -1.958 1.00 1.00 H ATOM 231 HA GLN A 15 1.550 8.534 -2.709 1.00 1.00 H ATOM 232 HB2 GLN A 15 4.131 8.423 -4.322 1.00 1.00 H ATOM 233 HB3 GLN A 15 2.555 8.574 -5.073 1.00 1.00 H ATOM 234 HG2 GLN A 15 2.128 10.648 -3.709 1.00 1.00 H ATOM 235 HG3 GLN A 15 3.733 10.507 -3.020 1.00 1.00 H ATOM 236 HE21 GLN A 15 2.098 12.251 -5.083 1.00 1.00 H ATOM 237 HE22 GLN A 15 3.288 12.634 -6.282 1.00 1.00 H ATOM 238 N LYS A 16 1.068 6.361 -3.980 1.00 1.00 N ATOM 239 CA LYS A 16 0.679 5.021 -4.385 1.00 1.00 C ATOM 240 C LYS A 16 -0.019 5.086 -5.744 1.00 1.00 C ATOM 241 O LYS A 16 -0.580 6.118 -6.109 1.00 1.00 O ATOM 242 CB LYS A 16 -0.160 4.354 -3.293 1.00 1.00 C ATOM 243 CG LYS A 16 0.216 2.879 -3.137 1.00 1.00 C ATOM 244 CD LYS A 16 -0.588 2.224 -2.012 1.00 1.00 C ATOM 245 CE LYS A 16 0.094 0.944 -1.524 1.00 1.00 C ATOM 246 NZ LYS A 16 -0.652 0.360 -0.387 1.00 1.00 N ATOM 247 H LYS A 16 0.416 7.081 -4.219 1.00 1.00 H ATOM 248 HA LYS A 16 1.592 4.435 -4.493 1.00 1.00 H ATOM 249 HB2 LYS A 16 -0.011 4.873 -2.346 1.00 1.00 H ATOM 250 HB3 LYS A 16 -1.218 4.439 -3.540 1.00 1.00 H ATOM 251 HG2 LYS A 16 0.032 2.352 -4.074 1.00 1.00 H ATOM 252 HG3 LYS A 16 1.282 2.792 -2.927 1.00 1.00 H ATOM 253 HD2 LYS A 16 -0.693 2.923 -1.182 1.00 1.00 H ATOM 254 HD3 LYS A 16 -1.593 1.994 -2.364 1.00 1.00 H ATOM 255 HE2 LYS A 16 0.151 0.222 -2.339 1.00 1.00 H ATOM 256 HE3 LYS A 16 1.118 1.163 -1.221 1.00 1.00 H ATOM 257 HZ1 LYS A 16 -1.543 0.036 -0.705 1.00 1.00 H ATOM 258 HZ2 LYS A 16 -0.134 -0.406 -0.007 1.00 1.00 H ATOM 259 HZ3 LYS A 16 -0.783 1.057 0.318 1.00 1.00 H HETATM 260 N NH2 A 17 0.037 3.970 -6.456 1.00 1.00 N HETATM 261 HN1 NH2 A 17 -0.398 3.930 -7.371 1.00 1.00 H HETATM 262 HN2 NH2 A 17 0.515 3.156 -6.087 1.00 1.00 H TER 263 NH2 A 17