Commit 3fd87d2c authored by Jacob Durrant's avatar Jacob Durrant
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Code documentation and restructuring, example files from manuscript, etc.

parent db3552fd
ATOM 1 N HIS 797 -24.799 19.893 -26.116 1.00 0.00 -0.066 N
ATOM 2 CA HIS 797 -24.128 21.075 -25.590 1.00 0.00 0.280 C
ATOM 3 C HIS 797 -23.279 21.724 -26.687 1.00 0.00 0.251 C
ATOM 4 O HIS 797 -22.670 21.018 -27.489 1.00 0.00 -0.271 OA
ATOM 5 CB HIS 797 -23.258 20.704 -24.388 1.00 0.00 0.103 C
ATOM 6 CG HIS 797 -22.920 21.864 -23.503 1.00 0.00 0.053 A
ATOM 7 H3 HIS 797 -25.547 19.627 -25.504 1.00 0.00 0.275 HD
ATOM 8 H2 HIS 797 -25.173 20.091 -27.026 1.00 0.00 0.275 HD
ATOM 9 H HIS 797 -24.146 19.135 -26.187 1.00 0.00 0.275 HD
ATOM 10 CD2 HIS 797 -23.533 22.347 -22.397 1.00 0.00 0.116 A
ATOM 11 HE2 HIS 797 -22.986 23.916 -21.284 1.00 0.00 0.166 HD
ATOM 12 CE1 HIS 797 -21.781 23.607 -22.787 1.00 0.00 0.207 A
ATOM 13 ND1 HIS 797 -21.827 22.674 -23.720 1.00 0.00 -0.247 NA
ATOM 14 NE2 HIS 797 -22.806 23.431 -21.971 1.00 0.00 -0.359 N
ATOM 15 N PRO 798 -23.238 23.062 -26.730 1.00 0.00 -0.337 N
ATOM 16 CA PRO 798 -22.475 23.719 -27.806 1.00 0.00 0.179 C
ATOM 17 C PRO 798 -21.019 23.294 -27.873 1.00 0.00 0.241 C
ATOM 18 O PRO 798 -20.465 23.175 -28.973 1.00 0.00 -0.271 OA
ATOM 19 CB PRO 798 -22.615 25.211 -27.471 1.00 0.00 0.037 C
ATOM 20 CG PRO 798 -23.863 25.306 -26.677 1.00 0.00 0.022 C
ATOM 21 CD PRO 798 -23.938 24.041 -25.879 1.00 0.00 0.127 C
ATOM 22 N SER 799 -20.375 23.062 -26.726 1.00 0.00 -0.344 N
ATOM 23 CA SER 799 -18.966 22.683 -26.728 1.00 0.00 0.200 C
ATOM 24 C SER 799 -18.712 21.416 -27.534 1.00 0.00 0.243 C
ATOM 25 O SER 799 -17.578 21.192 -27.974 1.00 0.00 -0.271 OA
ATOM 26 CB SER 799 -18.469 22.494 -25.295 1.00 0.00 0.199 C
ATOM 27 OG SER 799 -19.114 21.400 -24.669 1.00 0.00 -0.398 OA
ATOM 28 H SER 799 -20.729 23.118 -25.944 1.00 0.00 0.163 HD
ATOM 29 HG SER 799 -18.848 20.551 -25.124 1.00 0.00 0.209 HD
ATOM 30 N HIS 800 -19.734 20.582 -27.730 1.00 0.00 -0.346 N
ATOM 31 CA HIS 800 -19.612 19.386 -28.552 1.00 0.00 0.182 C
ATOM 32 C HIS 800 -20.205 19.554 -29.945 1.00 0.00 0.241 C
ATOM 33 O HIS 800 -19.839 18.798 -30.851 1.00 0.00 -0.271 OA
ATOM 34 CB HIS 800 -20.290 18.197 -27.860 1.00 0.00 0.095 C
ATOM 35 CG HIS 800 -19.620 17.776 -26.589 1.00 0.00 0.053 A
ATOM 36 ND1 HIS 800 -18.347 18.182 -26.248 1.00 0.00 -0.247 NA
ATOM 37 CD2 HIS 800 -20.048 16.989 -25.573 1.00 0.00 0.116 A
ATOM 38 CE1 HIS 800 -18.019 17.660 -25.080 1.00 0.00 0.207 A
ATOM 39 NE2 HIS 800 -19.033 16.933 -24.649 1.00 0.00 -0.359 N
ATOM 40 H HIS 800 -20.517 20.693 -27.393 1.00 0.00 0.163 HD
ATOM 41 HE2 HIS 800 -19.054 16.493 -23.909 1.00 0.00 0.166 HD
ATOM 42 N GLU 801 -21.105 20.520 -30.136 1.00 0.00 -0.346 N
ATOM 43 CA GLU 801 -21.691 20.746 -31.452 1.00 0.00 0.177 C
ATOM 44 C GLU 801 -20.778 21.594 -32.331 1.00 0.00 0.241 C
ATOM 45 O GLU 801 -20.669 21.347 -33.537 1.00 0.00 -0.271 OA
ATOM 46 CB GLU 801 -23.059 21.413 -31.310 1.00 0.00 0.045 C
ATOM 47 CG GLU 801 -24.060 20.615 -30.485 1.00 0.00 0.116 C
ATOM 48 CD GLU 801 -24.456 19.308 -31.145 1.00 0.00 0.172 C
ATOM 49 OE1 GLU 801 -24.113 19.108 -32.329 1.00 0.00 -0.648 OA
ATOM 50 OE2 GLU 801 -25.114 18.481 -30.478 1.00 0.00 -0.648 OA
ATOM 51 H GLU 801 -21.390 21.054 -29.524 1.00 0.00 0.163 HD
ATOM 52 N LEU 802 -20.116 22.595 -31.746 1.00 0.00 -0.346 N
ATOM 53 CA LEU 802 -19.190 23.431 -32.501 1.00 0.00 0.177 C
ATOM 54 C LEU 802 -17.922 22.690 -32.901 1.00 0.00 0.241 C
ATOM 55 O LEU 802 -17.172 23.195 -33.744 1.00 0.00 -0.271 OA
ATOM 56 CB LEU 802 -18.826 24.675 -31.687 1.00 0.00 0.038 C
ATOM 57 CG LEU 802 -19.950 25.690 -31.471 1.00 0.00 -0.020 C
ATOM 58 CD1 LEU 802 -19.543 26.727 -30.438 1.00 0.00 0.009 C
ATOM 59 CD2 LEU 802 -20.325 26.368 -32.780 1.00 0.00 0.009 C
ATOM 60 H LEU 802 -20.188 22.808 -30.916 1.00 0.00 0.163 HD
ATOM 61 N LEU 803 -17.661 21.517 -32.323 1.00 0.00 -0.346 N
ATOM 62 CA LEU 803 -16.511 20.717 -32.721 1.00 0.00 0.177 C
ATOM 63 C LEU 803 -16.800 19.846 -33.936 1.00 0.00 0.241 C
ATOM 64 O LEU 803 -15.857 19.364 -34.573 1.00 0.00 -0.271 OA
ATOM 65 CB LEU 803 -16.053 19.834 -31.557 1.00 0.00 0.038 C
ATOM 66 CG LEU 803 -15.463 20.563 -30.349 1.00 0.00 -0.020 C
ATOM 67 CD1 LEU 803 -15.300 19.608 -29.179 1.00 0.00 0.009 C
ATOM 68 CD2 LEU 803 -14.129 21.205 -30.701 1.00 0.00 0.009 C
ATOM 69 H LEU 803 -18.136 21.165 -31.697 1.00 0.00 0.163 HD
ATOM 70 N LYS 804 -18.071 19.634 -34.268 1.00 0.00 -0.346 N
ATOM 71 CA LYS 804 -18.414 18.824 -35.428 1.00 0.00 0.176 C
ATOM 72 C LYS 804 -17.898 19.478 -36.704 1.00 0.00 0.241 C
ATOM 73 O LYS 804 -17.825 20.705 -36.818 1.00 0.00 -0.271 OA
ATOM 74 CB LYS 804 -19.928 18.629 -35.512 1.00 0.00 0.035 C
ATOM 75 H LYS 804 -18.747 19.947 -33.841 1.00 0.00 0.163 HD
ATOM 76 CG LYS 804 -20.550 17.924 -34.314 1.00 0.00 0.004 C
ATOM 77 CD LYS 804 -22.050 17.765 -34.469 1.00 0.00 0.027 C
ATOM 78 CE LYS 804 -22.688 17.068 -33.291 1.00 0.00 0.229 C
ATOM 79 NZ LYS 804 -24.153 16.936 -33.487 1.00 0.00 -0.079 N
ATOM 80 HZ1 LYS 804 -24.442 17.520 -34.246 1.00 0.00 0.274 HD
ATOM 81 HZ3 LYS 804 -24.378 15.984 -33.696 1.00 0.00 0.274 HD
ATOM 82 HZ2 LYS 804 -24.628 17.215 -32.652 1.00 0.00 0.274 HD
ATOM 83 N GLU 805 -17.531 18.641 -37.672 1.00 0.00 -0.346 N
ATOM 84 CA GLU 805 -17.010 19.142 -38.937 1.00 0.00 0.177 C
ATOM 85 C GLU 805 -18.031 20.052 -39.606 1.00 0.00 0.241 C
ATOM 86 O GLU 805 -19.200 19.689 -39.761 1.00 0.00 -0.271 OA
ATOM 87 CB GLU 805 -16.654 17.975 -39.859 1.00 0.00 0.045 C
ATOM 88 H GLU 805 -17.576 17.783 -37.621 1.00 0.00 0.163 HD
ATOM 89 CG GLU 805 -15.602 16.980 -39.396 1.00 0.00 0.116 C
ATOM 90 CD GLU 805 -15.285 15.855 -40.328 1.00 0.00 0.172 C
ATOM 91 OE1 GLU 805 -15.820 15.703 -41.418 1.00 0.00 -0.648 OA
ATOM 92 OE2 GLU 805 -14.424 15.081 -39.865 1.00 0.00 -0.648 OA
ATOM 93 N ASN 806 -17.583 21.245 -39.998 1.00 0.00 -0.346 N
ATOM 94 CA ASN 806 -18.437 22.237 -40.646 1.00 0.00 0.185 C
ATOM 95 C ASN 806 -19.642 22.610 -39.788 1.00 0.00 0.241 C
ATOM 96 O ASN 806 -20.657 23.081 -40.312 1.00 0.00 -0.271 OA
ATOM 97 CB ASN 806 -18.905 21.746 -42.021 1.00 0.00 0.137 C
ATOM 98 H ASN 806 -16.771 21.506 -39.896 1.00 0.00 0.163 HD
ATOM 99 CG ASN 806 -17.766 21.463 -42.981 1.00 0.00 0.217 C
ATOM 100 OD1 ASN 806 -16.590 21.628 -42.640 1.00 0.00 -0.274 OA
ATOM 101 ND2 ASN 806 -18.111 21.015 -44.188 1.00 0.00 -0.370 N
ATOM 102 2HD2 ASN 806 -17.405 20.805 -44.864 1.00 0.00 0.159 HD
ATOM 103 1HD2 ASN 806 -19.076 20.890 -44.416 1.00 0.00 0.159 HD
ATOM 104 N GLY 807 -19.549 22.410 -38.474 1.00 0.00 -0.351 N
ATOM 105 CA GLY 807 -20.649 22.704 -37.577 1.00 0.00 0.225 C
ATOM 106 C GLY 807 -20.385 23.891 -36.674 1.00 0.00 0.236 C
ATOM 107 O GLY 807 -20.987 24.009 -35.604 1.00 0.00 -0.272 OA
ATOM 108 H GLY 807 -18.849 22.103 -38.080 1.00 0.00 0.163 HD
ATOM 109 N PHE 808 -19.487 24.778 -37.096 1.00 0.00 -0.346 N
ATOM 110 CA PHE 808 -19.150 25.969 -36.330 1.00 0.00 0.180 C
ATOM 111 C PHE 808 -19.798 27.196 -36.952 1.00 0.00 0.241 C
ATOM 112 O PHE 808 -19.845 27.337 -38.177 1.00 0.00 -0.271 OA
ATOM 113 CB PHE 808 -17.636 26.171 -36.260 1.00 0.00 0.073 C
ATOM 114 CG PHE 808 -17.228 27.471 -35.617 1.00 0.00 -0.056 A
ATOM 115 CD1 PHE 808 -17.049 27.556 -34.247 1.00 0.00 0.007 A
ATOM 116 CD2 PHE 808 -17.027 28.607 -36.385 1.00 0.00 0.007 A
ATOM 117 CE1 PHE 808 -16.675 28.749 -33.654 1.00 0.00 0.001 A
ATOM 118 CE2 PHE 808 -16.656 29.802 -35.798 1.00 0.00 0.001 A
ATOM 119 CZ PHE 808 -16.480 29.873 -34.432 1.00 0.00 0.000 A
ATOM 120 H PHE 808 -19.054 24.709 -37.835 1.00 0.00 0.163 HD
ATOM 121 N THR 809 -20.300 28.081 -36.095 1.00 0.00 -0.344 N
ATOM 122 CA THR 809 -20.832 29.365 -36.521 1.00 0.00 0.205 C
ATOM 123 C THR 809 -20.539 30.383 -35.432 1.00 0.00 0.243 C
ATOM 124 O THR 809 -20.650 30.073 -34.241 1.00 0.00 -0.271 OA
ATOM 125 CB THR 809 -22.344 29.304 -36.789 1.00 0.00 0.146 C
ATOM 126 OG1 THR 809 -23.032 28.913 -35.594 1.00 0.00 -0.393 OA
ATOM 127 CG2 THR 809 -22.663 28.316 -37.903 1.00 0.00 0.042 C
ATOM 128 H THR 809 -20.343 27.955 -35.244 1.00 0.00 0.163 HD
ATOM 129 HG1 THR 809 -22.624 28.076 -35.214 1.00 0.00 0.210 HD
ATOM 130 N GLN 810 -20.150 31.592 -35.841 1.00 0.00 -0.346 N
ATOM 131 CA GLN 810 -19.998 32.674 -34.878 1.00 0.00 0.177 C
ATOM 132 C GLN 810 -21.318 33.009 -34.201 1.00 0.00 0.241 C
ATOM 133 O GLN 810 -21.316 33.531 -33.080 1.00 0.00 -0.271 OA
ATOM 134 CB GLN 810 -19.424 33.914 -35.565 1.00 0.00 0.044 C
ATOM 135 CG GLN 810 -17.908 33.915 -35.667 1.00 0.00 0.105 C
ATOM 136 CD GLN 810 -17.240 34.082 -34.317 1.00 0.00 0.215 C
ATOM 137 H GLN 810 -19.972 31.805 -36.655 1.00 0.00 0.163 HD
ATOM 138 2HE2 GLN 810 -15.509 33.936 -33.525 1.00 0.00 0.159 HD
ATOM 139 OE1 GLN 810 -17.894 34.408 -33.326 1.00 0.00 -0.274 OA
ATOM 140 NE2 GLN 810 -15.932 33.855 -34.268 1.00 0.00 -0.370 N
ATOM 141 1HE2 GLN 810 -15.509 33.626 -34.982 1.00 0.00 0.159 HD
ATOM 142 N HIS 811 -22.443 32.717 -34.855 1.00 0.00 -0.346 N
ATOM 143 CA HIS 811 -23.747 32.938 -34.240 1.00 0.00 0.182 C
ATOM 144 C HIS 811 -23.890 32.118 -32.963 1.00 0.00 0.241 C
ATOM 145 O HIS 811 -24.334 32.627 -31.927 1.00 0.00 -0.271 OA
ATOM 146 CB HIS 811 -24.849 32.586 -35.240 1.00 0.00 0.093 C
ATOM 147 CG HIS 811 -26.212 33.057 -34.838 1.00 0.00 0.030 A
ATOM 148 H HIS 811 -22.476 32.393 -35.651 1.00 0.00 0.163 HD
ATOM 149 CD2 HIS 811 -26.682 33.542 -33.664 1.00 0.00 0.143 A
ATOM 150 HD1 HIS 811 -27.250 32.759 -36.661 1.00 0.00 0.166 HD
ATOM 151 CE1 HIS 811 -28.350 33.527 -35.087 1.00 0.00 0.207 A
ATOM 152 ND1 HIS 811 -27.282 33.062 -35.708 1.00 0.00 -0.353 N
ATOM 153 NE2 HIS 811 -28.013 33.825 -33.846 1.00 0.00 -0.254 NA
ATOM 154 N VAL 812 -23.510 30.841 -33.019 1.00 0.00 -0.346 N
ATOM 155 CA VAL 812 -23.628 29.976 -31.850 1.00 0.00 0.180 C
ATOM 156 C VAL 812 -22.491 30.232 -30.867 1.00 0.00 0.241 C
ATOM 157 O VAL 812 -22.696 30.212 -29.649 1.00 0.00 -0.271 OA
ATOM 158 CB VAL 812 -23.678 28.501 -32.290 1.00 0.00 0.009 C
ATOM 159 CG1 VAL 812 -23.727 27.574 -31.081 1.00 0.00 0.012 C
ATOM 160 CG2 VAL 812 -24.879 28.256 -33.190 1.00 0.00 0.012 C
ATOM 161 H VAL 812 -23.183 30.456 -33.715 1.00 0.00 0.163 HD
ATOM 162 N TYR 813 -21.279 30.477 -31.373 1.00 0.00 -0.346 N
ATOM 163 CA TYR 813 -20.138 30.680 -30.483 1.00 0.00 0.180 C
ATOM 164 C TYR 813 -20.321 31.927 -29.626 1.00 0.00 0.241 C
ATOM 165 O TYR 813 -19.971 31.931 -28.440 1.00 0.00 -0.271 OA
ATOM 166 CB TYR 813 -18.844 30.772 -31.291 1.00 0.00 0.073 C
ATOM 167 CG TYR 813 -17.637 31.138 -30.454 1.00 0.00 -0.056 A
ATOM 168 CD1 TYR 813 -17.001 30.189 -29.664 1.00 0.00 0.010 A
ATOM 169 CD2 TYR 813 -17.136 32.432 -30.451 1.00 0.00 0.010 A
ATOM 170 CE1 TYR 813 -15.901 30.520 -28.895 1.00 0.00 0.037 A
ATOM 171 CE2 TYR 813 -16.037 32.773 -29.687 1.00 0.00 0.037 A
ATOM 172 CZ TYR 813 -15.423 31.813 -28.910 1.00 0.00 0.065 A
ATOM 173 OH TYR 813 -14.327 32.148 -28.147 1.00 0.00 -0.361 OA
ATOM 174 H TYR 813 -21.094 30.529 -32.211 1.00 0.00 0.163 HD
ATOM 175 HH TYR 813 -13.569 32.388 -28.751 1.00 0.00 0.217 HD
ATOM 176 N HIS 814 -20.862 32.998 -30.210 1.00 0.00 -0.346 N
ATOM 177 CA HIS 814 -21.090 34.222 -29.448 1.00 0.00 0.182 C
ATOM 178 C HIS 814 -21.983 33.953 -28.243 1.00 0.00 0.241 C
ATOM 179 O HIS 814 -21.678 34.377 -27.121 1.00 0.00 -0.271 OA
ATOM 180 CB HIS 814 -21.708 35.289 -30.353 1.00 0.00 0.093 C
ATOM 181 CG HIS 814 -21.665 36.671 -29.775 1.00 0.00 0.030 A
ATOM 182 H HIS 814 -21.103 33.040 -31.034 1.00 0.00 0.163 HD
ATOM 183 CD2 HIS 814 -22.503 37.310 -28.924 1.00 0.00 0.143 A
ATOM 184 HD1 HIS 814 -19.886 37.388 -30.674 1.00 0.00 0.166 HD
ATOM 185 CE1 HIS 814 -20.880 38.700 -29.422 1.00 0.00 0.207 A
ATOM 186 ND1 HIS 814 -20.660 37.568 -30.067 1.00 0.00 -0.353 N
ATOM 187 NE2 HIS 814 -21.992 38.569 -28.720 1.00 0.00 -0.254 NA
ATOM 188 N LYS 815 -23.094 33.244 -28.454 1.00 0.00 -0.346 N
ATOM 189 CA LYS 815 -23.990 32.917 -27.349 1.00 0.00 0.176 C
ATOM 190 C LYS 815 -23.302 32.006 -26.342 1.00 0.00 0.241 C
ATOM 191 O LYS 815 -23.310 32.273 -25.135 1.00 0.00 -0.271 OA
ATOM 192 CB LYS 815 -25.262 32.255 -27.882 1.00 0.00 0.035 C
ATOM 193 CG LYS 815 -26.066 33.105 -28.848 1.00 0.00 0.004 C
ATOM 194 CD LYS 815 -27.314 32.364 -29.297 1.00 0.00 0.027 C
ATOM 195 CE LYS 815 -28.166 33.205 -30.231 1.00 0.00 0.229 C
ATOM 196 NZ LYS 815 -29.404 32.486 -30.642 1.00 0.00 -0.079 N
ATOM 197 H LYS 815 -23.347 32.945 -29.220 1.00 0.00 0.163 HD
ATOM 198 HZ1 LYS 815 -29.885 32.998 -31.187 1.00 0.00 0.274 HD
ATOM 199 HZ2 LYS 815 -29.192 31.732 -31.065 1.00 0.00 0.274 HD
ATOM 200 HZ3 LYS 815 -29.892 32.288 -29.925 1.00 0.00 0.274 HD
ATOM 201 N TYR 816 -22.705 30.914 -26.826 1.00 0.00 -0.346 N
ATOM 202 CA TYR 816 -22.010 29.984 -25.942 1.00 0.00 0.180 C
ATOM 203 C TYR 816 -20.918 30.693 -25.150 1.00 0.00 0.241 C
ATOM 204 O TYR 816 -20.787 30.496 -23.937 1.00 0.00 -0.271 OA
ATOM 205 CB TYR 816 -21.429 28.835 -26.769 1.00 0.00 0.073 C
ATOM 206 CG TYR 816 -20.495 27.924 -26.010 1.00 0.00 -0.056 A
ATOM 207 CD1 TYR 816 -20.909 27.277 -24.855 1.00 0.00 0.010 A
ATOM 208 CD2 TYR 816 -19.202 27.695 -26.461 1.00 0.00 0.010 A
ATOM 209 CE1 TYR 816 -20.057 26.437 -24.162 1.00 0.00 0.037 A
ATOM 210 CE2 TYR 816 -18.344 26.856 -25.778 1.00 0.00 0.037 A
ATOM 211 CZ TYR 816 -18.776 26.231 -24.629 1.00 0.00 0.065 A
ATOM 212 OH TYR 816 -17.924 25.398 -23.945 1.00 0.00 -0.361 OA
ATOM 213 H TYR 816 -22.689 30.694 -27.656 1.00 0.00 0.163 HD
ATOM 214 HH TYR 816 -17.933 25.642 -22.977 1.00 0.00 0.217 HD
ATOM 215 N ARG 817 -20.130 31.536 -25.820 1.00 0.00 -0.346 N
ATOM 216 CA ARG 817 -19.039 32.228 -25.141 1.00 0.00 0.176 C
ATOM 217 C ARG 817 -19.558 33.130 -24.030 1.00 0.00 0.241 C
ATOM 218 O ARG 817 -18.938 33.233 -22.965 1.00 0.00 -0.271 OA
ATOM 219 CB ARG 817 -18.226 33.038 -26.150 1.00 0.00 0.036 C
ATOM 220 CG ARG 817 -17.135 33.895 -25.521 1.00 0.00 0.023 C
ATOM 221 CD ARG 817 -16.337 34.641 -26.574 1.00 0.00 0.138 C
ATOM 222 NE ARG 817 -15.381 35.571 -25.979 1.00 0.00 -0.227 N
ATOM 223 CZ ARG 817 -15.679 36.803 -25.577 1.00 0.00 0.665 C
ATOM 224 NH1 ARG 817 -16.915 37.270 -25.696 1.00 0.00 -0.235 N
ATOM 225 NH2 ARG 817 -14.738 37.572 -25.049 1.00 0.00 -0.235 N
ATOM 226 H ARG 817 -20.206 31.722 -26.657 1.00 0.00 0.163 HD
ATOM 227 HE ARG 817 -14.569 35.304 -25.884 1.00 0.00 0.177 HD
ATOM 228 1HH1 ARG 817 -17.531 36.775 -26.038 1.00 0.00 0.174 HD
ATOM 229 2HH1 ARG 817 -17.101 38.067 -25.433 1.00 0.00 0.174 HD
ATOM 230 1HH2 ARG 817 -13.935 37.275 -24.968 1.00 0.00 0.174 HD
ATOM 231 2HH2 ARG 817 -14.930 38.369 -24.787 1.00 0.00 0.174 HD
ATOM 232 N ARG 818 -20.693 33.795 -24.257 1.00 0.00 -0.346 N
ATOM 233 CA ARG 818 -21.179 34.771 -23.286 1.00 0.00 0.176 C
ATOM 234 C ARG 818 -21.723 34.085 -22.040 1.00 0.00 0.241 C
ATOM 235 O ARG 818 -21.424 34.499 -20.914 1.00 0.00 -0.271 OA
ATOM 236 CB ARG 818 -22.246 35.663 -23.924 1.00 0.00 0.036 C
ATOM 237 CG ARG 818 -21.981 37.154 -23.752 1.00 0.00 0.023 C
ATOM 238 CD ARG 818 -20.730 37.595 -24.504 1.00 0.00 0.138 C
ATOM 239 NE ARG 818 -20.388 38.992 -24.244 1.00 0.00 -0.227 N
ATOM 240 CZ ARG 818 -19.683 39.414 -23.198 1.00 0.00 0.665 C
ATOM 241 NH1 ARG 818 -19.238 38.554 -22.291 1.00 0.00 -0.235 N
ATOM 242 NH2 ARG 818 -19.426 40.706 -23.055 1.00 0.00 -0.235 N
ATOM 243 H ARG 818 -21.189 33.701 -24.952 1.00 0.00 0.163 HD
ATOM 244 HE ARG 818 -20.663 39.581 -24.807 1.00 0.00 0.177 HD
ATOM 245 1HH1 ARG 818 -19.402 37.714 -22.378 1.00 0.00 0.174 HD
ATOM 246 2HH1 ARG 818 -18.784 38.835 -21.617 1.00 0.00 0.174 HD
ATOM 247 1HH2 ARG 818 -19.712 41.269 -23.639 1.00 0.00 0.174 HD
ATOM 248 2HH2 ARG 818 -18.972 40.982 -22.378 1.00 0.00 0.174 HD
ATOM 249 N ARG 819 -22.529 33.034 -22.216 1.00 0.00 -0.346 N
ATOM 250 CA ARG 819 -23.014 32.285 -21.061 1.00 0.00 0.176 C
ATOM 251 C ARG 819 -21.857 31.821 -20.185 1.00 0.00 0.241 C
ATOM 252 O ARG 819 -21.921 31.916 -18.953 1.00 0.00 -0.271 OA
ATOM 253 CB ARG 819 -23.851 31.087 -21.518 1.00 0.00 0.036 C
ATOM 254 CG ARG 819 -24.143 30.085 -20.404 1.00 0.00 0.023 C
ATOM 255 CD ARG 819 -25.110 28.997 -20.838 1.00 0.00 0.138 C
ATOM 256 NE ARG 819 -26.490 29.472 -20.913 1.00 0.00 -0.227 N
ATOM 257 CZ ARG 819 -27.088 29.906 -22.021 1.00 0.00 0.665 C
ATOM 258 NH1 ARG 819 -26.439 29.934 -23.179 1.00 0.00 -0.235 N
ATOM 259 NH2 ARG 819 -28.349 30.314 -21.969 1.00 0.00 -0.235 N
ATOM 260 H ARG 819 -22.801 32.741 -22.978 1.00 0.00 0.163 HD
ATOM 261 HE ARG 819 -26.951 29.472 -20.187 1.00 0.00 0.177 HD
ATOM 262 1HH1 ARG 819 -25.622 29.671 -23.220 1.00 0.00 0.174 HD
ATOM 263 2HH1 ARG 819 -26.836 30.217 -23.888 1.00 0.00 0.174 HD
ATOM 264 1HH2 ARG 819 -28.775 30.299 -21.223 1.00 0.00 0.174 HD
ATOM 265 2HH2 ARG 819 -28.739 30.595 -22.681 1.00 0.00 0.174 HD
ATOM 266 N CYS 820 -20.786 31.321 -20.803 1.00 0.00 -0.345 N
ATOM 267 CA CYS 820 -19.636 30.853 -20.035 1.00 0.00 0.185 C
ATOM 268 C CYS 820 -18.993 31.996 -19.259 1.00 0.00 0.241 C
ATOM 269 O CYS 820 -18.794 31.901 -18.042 1.00 0.00 -0.271 OA
ATOM 270 CB CYS 820 -18.616 30.199 -20.968 1.00 0.00 0.105 C
ATOM 271 SG CYS 820 -19.248 28.770 -21.873 1.00 0.00 -0.180 SA
ATOM 272 H CYS 820 -20.702 31.242 -21.656 1.00 0.00 0.163 HD
ATOM 273 HG CYS 820 -19.830 29.081 -22.625 1.00 0.00 0.101 HD
ATOM 274 N LEU 821 -18.660 33.089 -19.949 1.00 0.00 -0.346 N
ATOM 275 CA LEU 821 -17.967 34.193 -19.291 1.00 0.00 0.177 C
ATOM 276 C LEU 821 -18.841 34.841 -18.226 1.00 0.00 0.241 C
ATOM 277 O LEU 821 -18.341 35.252 -17.171 1.00 0.00 -0.271 OA
ATOM 278 CB LEU 821 -17.526 35.228 -20.327 1.00 0.00 0.038 C
ATOM 279 CG LEU 821 -16.420 34.790 -21.292 1.00 0.00 -0.020 C
ATOM 280 CD1 LEU 821 -16.199 35.848 -22.360 1.00 0.00 0.009 C
ATOM 281 CD2 LEU 821 -15.122 34.509 -20.548 1.00 0.00 0.009 C
ATOM 282 H LEU 821 -18.822 33.214 -20.784 1.00 0.00 0.163 HD
ATOM 283 N ASN 822 -20.147 34.942 -18.478 1.00 0.00 -0.346 N
ATOM 284 CA ASN 822 -21.044 35.531 -17.490 1.00 0.00 0.185 C
ATOM 285 C ASN 822 -21.127 34.661 -16.241 1.00 0.00 0.241 C
ATOM 286 O ASN 822 -21.014 35.160 -15.116 1.00 0.00 -0.271 OA
ATOM 287 CB ASN 822 -22.430 35.739 -18.101 1.00 0.00 0.137 C
ATOM 288 CG ASN 822 -22.413 36.725 -19.253 1.00 0.00 0.217 C
ATOM 289 H ASN 822 -20.531 34.681 -19.201 1.00 0.00 0.163 HD
ATOM 290 OD1 ASN 822 -21.591 37.640 -19.287 1.00 0.00 -0.274 OA
ATOM 291 ND2 ASN 822 -23.319 36.540 -20.205 1.00 0.00 -0.370 N
ATOM 292 2HD2 ASN 822 -23.876 35.887 -20.149 1.00 0.00 0.159 HD
ATOM 293 1HD2 ASN 822 -23.349 37.073 -20.880 1.00 0.00 0.159 HD
ATOM 294 N GLU 823 -21.323 33.352 -16.420 1.00 0.00 -0.346 N
ATOM 295 CA GLU 823 -21.335 32.444 -15.277 1.00 0.00 0.177 C
ATOM 296 C GLU 823 -20.030 32.535 -14.496 1.00 0.00 0.241 C
ATOM 297 O GLU 823 -20.029 32.488 -13.261 1.00 0.00 -0.271 OA
ATOM 298 CB GLU 823 -21.581 31.013 -15.753 1.00 0.00 0.045 C
ATOM 299 CG GLU 823 -21.672 29.988 -14.635 1.00 0.00 0.116 C
ATOM 300 CD GLU 823 -21.982 28.595 -15.149 1.00 0.00 0.172 C
ATOM 301 OE1 GLU 823 -22.551 28.481 -16.256 1.00 0.00 -0.648 OA
ATOM 302 OE2 GLU 823 -21.654 27.614 -14.450 1.00 0.00 -0.648 OA
ATOM 303 H GLU 823 -21.449 32.973 -17.181 1.00 0.00 0.163 HD
ATOM 304 N ARG 824 -18.907 32.665 -15.205 1.00 0.00 -0.346 N
ATOM 305 CA ARG 824 -17.619 32.870 -14.548 1.00 0.00 0.176 C
ATOM 306 C ARG 824 -17.595 34.200 -13.804 1.00 0.00 0.241 C
ATOM 307 O ARG 824 -17.258 34.258 -12.615 1.00 0.00 -0.271 OA
ATOM 308 CB ARG 824 -16.505 32.801 -15.595 1.00 0.00 0.036 C
ATOM 309 CG ARG 824 -15.150 33.339 -15.163 1.00 0.00 0.023 C
ATOM 310 CD ARG 824 -14.188 33.319 -16.338 1.00 0.00 0.138 C
ATOM 311 NE ARG 824 -12.932 34.008 -16.053 1.00 0.00 -0.227 N
ATOM 312 CZ ARG 824 -11.898 33.455 -15.430 1.00 0.00 0.665 C
ATOM 313 NH1 ARG 824 -11.960 32.199 -15.010 1.00 0.00 -0.235 N
ATOM 314 NH2 ARG 824 -10.796 34.164 -15.221 1.00 0.00 -0.235 N
ATOM 315 H ARG 824 -18.865 32.639 -16.063 1.00 0.00 0.163 HD
ATOM 316 HE ARG 824 -12.858 34.826 -16.306 1.00 0.00 0.177 HD
ATOM 317 1HH1 ARG 824 -12.672 31.736 -15.144 1.00 0.00 0.174 HD
ATOM 318 2HH1 ARG 824 -11.288 31.846 -14.606 1.00 0.00 0.174 HD
ATOM 319 1HH2 ARG 824 -10.752 34.978 -15.490 1.00 0.00 0.174 HD
ATOM 320 2HH2 ARG 824 -10.126 33.807 -14.814 1.00 0.00 0.174 HD
ATOM 321 N LYS 825 -17.945 35.284 -14.499 1.00 0.00 -0.346 N
ATOM 322 CA LYS 825 -17.999 36.600 -13.868 1.00 0.00 0.176 C
ATOM 323 C LYS 825 -18.984 36.623 -12.705 1.00 0.00 0.241 C
ATOM 324 O LYS 825 -18.777 37.354 -11.730 1.00 0.00 -0.271 OA
ATOM 325 CB LYS 825 -18.358 37.649 -14.927 1.00 0.00 0.035 C
ATOM 326 CG LYS 825 -19.240 38.818 -14.486 1.00 0.00 0.004 C
ATOM 327 CD LYS 825 -18.521 39.786 -13.563 1.00 0.00 0.027 C
ATOM 328 CE LYS 825 -19.128 41.178 -13.666 1.00 0.00 0.229 C
ATOM 329 NZ LYS 825 -20.614 41.159 -13.540 1.00 0.00 -0.079 N
ATOM 330 H LYS 825 -18.156 35.283 -15.332 1.00 0.00 0.163 HD
ATOM 331 HZ1 LYS 825 -20.935 41.987 -13.605 1.00 0.00 0.274 HD
ATOM 332 HZ2 LYS 825 -20.968 40.660 -14.186 1.00 0.00 0.274 HD
ATOM 333 HZ3 LYS 825 -20.848 40.819 -12.751 1.00 0.00 0.274 HD
ATOM 334 N ARG 826 -20.046 35.823 -12.780 1.00 0.00 -0.346 N
ATOM 335 CA ARG 826 -21.075 35.803 -11.747 1.00 0.00 0.176 C
ATOM 336 C ARG 826 -20.717 34.866 -10.595 1.00 0.00 0.241 C
ATOM 337 O ARG 826 -20.820 35.249 -9.427 1.00 0.00 -0.271 OA
ATOM 338 CB ARG 826 -22.420 35.407 -12.368 1.00 0.00 0.036 C
ATOM 339 CG ARG 826 -23.428 34.816 -11.395 1.00 0.00 0.023 C
ATOM 340 CD ARG 826 -24.832 34.822 -11.988 1.00 0.00 0.138 C
ATOM 341 NE ARG 826 -24.828 34.537 -13.423 1.00 0.00 -0.227 N
ATOM 342 CZ ARG 826 -24.921 33.322 -13.959 1.00 0.00 0.665 C
ATOM 343 NH1 ARG 826 -25.028 32.246 -13.189 1.00 0.00 -0.235 N
ATOM 344 NH2 ARG 826 -24.907 33.183 -15.278 1.00 0.00 -0.235 N
ATOM 345 H ARG 826 -20.194 35.277 -13.427 1.00 0.00 0.163 HD
ATOM 346 HE ARG 826 -24.761 35.204 -13.961 1.00 0.00 0.177 HD
ATOM 347 1HH1 ARG 826 -25.039 32.328 -12.334 1.00 0.00 0.174 HD
ATOM 348 2HH1 ARG 826 -25.088 31.465 -13.547 1.00 0.00 0.174 HD
ATOM 349 1HH2 ARG 826 -24.838 33.875 -15.783 1.00 0.00 0.174 HD
ATOM 350 2HH2 ARG 826 -24.967 32.399 -15.629 1.00 0.00 0.174 HD
ATOM 351 N LEU 827 -20.291 33.640 -10.906 1.00 0.00 -0.346 N
ATOM 352 CA LEU 827 -19.973 32.665 -9.871 1.00 0.00 0.177 C
ATOM 353 C LEU 827 -18.537 32.764 -9.373 1.00 0.00 0.240 C
ATOM 354 O LEU 827 -18.258 32.324 -8.251 1.00 0.00 -0.271 OA
ATOM 355 CB LEU 827 -20.233 31.245 -10.388 1.00 0.00 0.038 C
ATOM 356 CG LEU 827 -21.658 30.952 -10.872 1.00 0.00 -0.020 C
ATOM 357 CD1 LEU 827 -21.792 29.488 -11.260 1.00 0.00 0.009 C
ATOM 358 CD2 LEU 827 -22.698 31.321 -9.821 1.00 0.00 0.009 C
ATOM 359 H LEU 827 -20.178 33.353 -11.708 1.00 0.00 0.163 HD
ATOM 360 N GLY 828 -17.628 33.319 -10.165 1.00 0.00 -0.351 N
ATOM 361 CA GLY 828 -16.260 33.543 -9.738 1.00 0.00 0.225 C
ATOM 362 C GLY 828 -15.284 32.596 -10.418 1.00 0.00 0.236 C
ATOM 363 O GLY 828 -15.655 31.691 -11.168 1.00 0.00 -0.272 OA
ATOM 364 H GLY 828 -17.786 33.579 -10.969 1.00 0.00 0.163 HD
ATOM 365 N ILE 829 -14.002 32.830 -10.121 1.00 0.00 -0.346 N
ATOM 366 CA ILE 829 -12.932 32.054 -10.734 1.00 0.00 0.180 C
ATOM 367 C ILE 829 -13.039 30.602 -10.294 1.00 0.00 0.241 C
ATOM 368 O ILE 829 -13.227 30.305 -9.108 1.00 0.00 -0.271 OA
ATOM 369 CB ILE 829 -11.564 32.647 -10.361 1.00 0.00 0.013 C
ATOM 370 CG1 ILE 829 -11.485 34.130 -10.744 1.00 0.00 0.002 C
ATOM 371 CG2 ILE 829 -10.435 31.859 -11.022 1.00 0.00 0.012 C
ATOM 372 CD1 ILE 829 -11.615 34.403 -12.227 1.00 0.00 0.005 C
ATOM 373 H ILE 829 -13.733 33.431 -9.568 1.00 0.00 0.163 HD
ATOM 374 N GLY 830 -12.910 29.689 -11.253 1.00 0.00 -0.351 N
ATOM 375 CA GLY 830 -12.924 28.273 -10.943 1.00 0.00 0.225 C
ATOM 376 C GLY 830 -14.231 27.756 -10.389 1.00 0.00 0.236 C
ATOM 377 O GLY 830 -14.258 26.660 -9.823 1.00 0.00 -0.272 OA
ATOM 378 H GLY 830 -12.812 29.868 -12.088 1.00 0.00 0.163 HD
ATOM 379 N GLN 831 -15.319 28.512 -10.533 1.00 0.00 -0.346 N
ATOM 380 CA GLN 831 -16.625 28.101 -10.041 1.00 0.00 0.177 C
ATOM 381 C GLN 831 -17.601 27.743 -11.150 1.00 0.00 0.241 C
ATOM 382 O GLN 831 -18.639 27.137 -10.865 1.00 0.00 -0.271 OA
ATOM 383 CB GLN 831 -17.242 29.212 -9.178 1.00 0.00 0.044 C
ATOM 384 CG GLN 831 -16.301 29.778 -8.125 1.00 0.00 0.105 C
ATOM 385 CD GLN 831 -15.740 28.712 -7.206 1.00 0.00 0.215 C
ATOM 386 OE1 GLN 831 -14.572 28.763 -6.819 1.00 0.00 -0.274 OA
ATOM 387 NE2 GLN 831 -16.574 27.744 -6.842 1.00 0.00 -0.370 N
ATOM 388 H GLN 831 -15.322 29.281 -10.921 1.00 0.00 0.163 HD
ATOM 389 1HE2 GLN 831 -17.386 27.745 -7.129 1.00 0.00 0.159 HD
ATOM 390 2HE2 GLN 831 -16.304 27.115 -6.322 1.00 0.00 0.159 HD
ATOM 391 N SER 832 -17.301 28.096 -12.398 1.00 0.00 -0.344 N
ATOM 392 CA SER 832 -18.210 27.891 -13.520 1.00 0.00 0.200 C
ATOM 393 C SER 832 -17.823 26.608 -14.247 1.00 0.00 0.243 C
ATOM 394 O SER 832 -16.747 26.529 -14.849 1.00 0.00 -0.271 OA
ATOM 395 CB SER 832 -18.169 29.089 -14.467 1.00 0.00 0.199 C
ATOM 396 OG SER 832 -19.085 28.931 -15.535 1.00 0.00 -0.398 OA
ATOM 397 H SER 832 -16.557 28.463 -12.624 1.00 0.00 0.163 HD
ATOM 398 HG SER 832 -19.908 28.472 -15.203 1.00 0.00 0.209 HD
ATOM 399 N GLN 833 -18.699 25.603 -14.188 1.00 0.00 -0.346 N
ATOM 400 CA GLN 833 -18.478 24.394 -14.972 1.00 0.00 0.177 C
ATOM 401 C GLN 833 -18.579 24.688 -16.462 1.00 0.00 0.241 C
ATOM 402 O GLN 833 -17.822 24.128 -17.264 1.00 0.00 -0.271 OA
ATOM 403 CB GLN 833 -19.478 23.310 -14.570 1.00 0.00 0.044 C
ATOM 404 CG GLN 833 -19.112 22.570 -13.294 1.00 0.00 0.105 C
ATOM 405 CD GLN 833 -17.823 21.776 -13.429 1.00 0.00 0.215 C
ATOM 406 H GLN 833 -19.415 25.598 -13.711 1.00 0.00 0.163 HD
ATOM 407 2HE2 GLN 833 -16.217 21.448 -12.454 1.00 0.00 0.159 HD
ATOM 408 OE1 GLN 833 -17.604 21.087 -14.426 1.00 0.00 -0.274 OA
ATOM 409 NE2 GLN 833 -16.961 21.877 -12.426 1.00 0.00 -0.370 N
ATOM 410 1HE2 GLN 833 -17.146 22.374 -11.748 1.00 0.00 0.159 HD
ATOM 411 N GLU 834 -19.505 25.566 -16.852 1.00 0.00 -0.346 N
ATOM 412 CA GLU 834 -19.605 25.958 -18.254 1.00 0.00 0.177 C
ATOM 413 C GLU 834 -18.307 26.580 -18.748 1.00 0.00 0.241 C
ATOM 414 O GLU 834 -17.962 26.441 -19.927 1.00 0.00 -0.271 OA
ATOM 415 CB GLU 834 -20.769 26.930 -18.444 1.00 0.00 0.045 C
ATOM 416 CG GLU 834 -22.134 26.306 -18.203 1.00 0.00 0.116 C
ATOM 417 CD GLU 834 -22.440 25.185 -19.175 1.00 0.00 0.172 C
ATOM 418 OE1 GLU 834 -22.152 25.348 -20.381 1.00 0.00 -0.648 OA
ATOM 419 OE2 GLU 834 -22.957 24.136 -18.737 1.00 0.00 -0.648 OA
ATOM 420 H GLU 834 -20.077 25.943 -16.333 1.00 0.00 0.163 HD
ATOM 421 N MET 835 -17.567 27.256 -17.866 1.00 0.00 -0.346 N
ATOM 422 CA MET 835 -16.290 27.829 -18.270 1.00 0.00 0.177 C
ATOM 423 C MET 835 -15.246 26.747 -18.502 1.00 0.00 0.241 C
ATOM 424 O MET 835 -14.355 26.920 -19.342 1.00 0.00 -0.271 OA
ATOM 425 CB MET 835 -15.799 28.821 -17.215 1.00 0.00 0.045 C
ATOM 426 CG MET 835 -14.525 29.550 -17.611 1.00 0.00 0.076 C
ATOM 427 SD MET 835 -14.747 30.544 -19.099 1.00 0.00 -0.173 SA
ATOM 428 CE MET 835 -13.072 30.592 -19.729 1.00 0.00 0.089 C
ATOM 429 H MET 835 -17.781 27.392 -17.044 1.00 0.00 0.163 HD
ATOM 430 N ASN 836 -15.334 25.631 -17.775 1.00 0.00 -0.346 N
ATOM 431 CA ASN 836 -14.422 24.520 -18.024 1.00 0.00 0.185 C
ATOM 432 C ASN 836 -14.711 23.857 -19.365 1.00 0.00 0.241 C
ATOM 433 O ASN 836 -13.781 23.403 -20.042 1.00 0.00 -0.271 OA
ATOM 434 CB ASN 836 -14.510 23.495 -16.893 1.00 0.00 0.137 C
ATOM 435 CG ASN 836 -13.974 24.033 -15.577 1.00 0.00 0.217 C
ATOM 436 H ASN 836 -15.902 25.495 -17.143 1.00 0.00 0.163 HD
ATOM 437 OD1 ASN 836 -13.091 24.889 -15.557 1.00 0.00 -0.274 OA
ATOM 438 ND2 ASN 836 -14.508 23.529 -14.469 1.00 0.00 -0.370 N
ATOM 439 2HD2 ASN 836 -15.123 22.931 -14.522 1.00 0.00 0.159 HD
ATOM 440 1HD2 ASN 836 -14.237 23.802 -13.699 1.00 0.00 0.159 HD
ATOM 441 N THR 837 -15.982 23.794 -19.767 1.00 0.00 -0.344 N
ATOM 442 CA THR 837 -16.307 23.265 -21.088 1.00 0.00 0.205 C
ATOM 443 C THR 837 -15.765 24.163 -22.191 1.00 0.00 0.243 C
ATOM 444 O THR 837 -15.502 23.689 -23.302 1.00 0.00 -0.271 OA
ATOM 445 CB THR 837 -17.823 23.102 -21.250 1.00 0.00 0.146 C
ATOM 446 OG1 THR 837 -18.448 24.391 -21.286 1.00 0.00 -0.393 OA
ATOM 447 CG2 THR 837 -18.412 22.283 -20.105 1.00 0.00 0.042 C
ATOM 448 H THR 837 -16.661 24.047 -19.303 1.00 0.00 0.163 HD
ATOM 449 HG1 THR 837 -18.048 24.993 -20.587 1.00 0.00 0.210 HD
ATOM 450 N LEU 838 -15.594 25.456 -21.906 1.00 0.00 -0.346 N
ATOM 451 CA LEU 838 -15.021 26.369 -22.889 1.00 0.00 0.177 C
ATOM 452 C LEU 838 -13.509 26.193 -22.988 1.00 0.00 0.241 C
ATOM 453 O LEU 838 -12.951 26.218 -24.090 1.00 0.00 -0.271 OA
ATOM 454 CB LEU 838 -15.377 27.812 -22.525 1.00 0.00 0.038 C
ATOM 455 CG LEU 838 -14.945 28.896 -23.514 1.00 0.00 -0.020 C
ATOM 456 CD1 LEU 838 -15.592 28.692 -24.878 1.00 0.00 0.009 C
ATOM 457 CD2 LEU 838 -15.284 30.272 -22.963 1.00 0.00 0.009 C
ATOM 458 H LEU 838 -15.801 25.824 -21.157 1.00 0.00 0.163 HD
ATOM 459 N PHE 839 -12.833 26.016 -21.851 1.00 0.00 -0.346 N
ATOM 460 CA PHE 839 -11.425 25.639 -21.880 1.00 0.00 0.180 C
ATOM 461 C PHE 839 -11.217 24.386 -22.718 1.00 0.00 0.241 C
ATOM 462 O PHE 839 -10.291 24.318 -23.535 1.00 0.00 -0.271 OA
ATOM 463 CB PHE 839 -10.914 25.406 -20.458 1.00 0.00 0.073 C
ATOM 464 CG PHE 839 -10.675 26.666 -19.674 1.00 0.00 -0.056 A
ATOM 465 CD1 PHE 839 -10.032 27.750 -20.248 1.00 0.00 0.007 A
ATOM 466 CD2 PHE 839 -11.080 26.760 -18.353 1.00 0.00 0.007 A
ATOM 467 CE1 PHE 839 -9.806 28.901 -19.525 1.00 0.00 0.001 A
ATOM 468 CE2 PHE 839 -10.854 27.910 -17.624 1.00 0.00 0.001 A
ATOM 469 CZ PHE 839 -10.217 28.982 -18.211 1.00 0.00 0.000 A
ATOM 470 H PHE 839 -13.164 26.107 -21.062 1.00 0.00 0.163 HD
ATOM 471 N ARG 840 -12.075 23.382 -22.531 1.00 0.00 -0.346 N
ATOM 472 CA ARG 840 -11.947 22.143 -23.289 1.00 0.00 0.176 C
ATOM 473 C ARG 840 -12.197 22.383 -24.772 1.00 0.00 0.241 C
ATOM 474 O ARG 840 -11.441 21.903 -25.625 1.00 0.00 -0.271 OA
ATOM 475 CB ARG 840 -12.919 21.099 -22.742 1.00 0.00 0.036 C
ATOM 476 CG ARG 840 -12.616 19.682 -23.192 1.00 0.00 0.023 C
ATOM 477 CD ARG 840 -13.662 18.703 -22.686 1.00 0.00 0.138 C
ATOM 478 NE ARG 840 -13.381 17.336 -23.120 1.00 0.00 -0.227 N
ATOM 479 CZ ARG 840 -13.658 16.859 -24.330 1.00 0.00 0.665 C
ATOM 480 NH1 ARG 840 -14.226 17.634 -25.245 1.00 0.00 -0.235 N
ATOM 481 NH2 ARG 840 -13.363 15.602 -24.629 1.00 0.00 -0.235 N
ATOM 482 H ARG 840 -12.732 23.395 -21.975 1.00 0.00 0.163 HD
ATOM 483 HE ARG 840 -13.011 16.805 -22.554 1.00 0.00 0.177 HD
ATOM 484 1HH1 ARG 840 -14.418 18.451 -25.057 1.00 0.00 0.174 HD
ATOM 485 2HH1 ARG 840 -14.402 17.320 -26.026 1.00 0.00 0.174 HD
ATOM 486 1HH2 ARG 840 -12.995 15.094 -24.040 1.00 0.00 0.174 HD
ATOM 487 2HH2 ARG 840 -13.542 15.291 -25.411 1.00 0.00 0.174 HD
ATOM 488 N PHE 841 -13.256 23.124 -25.100 1.00 0.00 -0.346 N
ATOM 489 CA PHE 841 -13.565 23.395 -26.500 1.00 0.00 0.180 C
ATOM 490 C PHE 841 -12.398 24.084 -27.192 1.00 0.00 0.241 C
ATOM 491 O PHE 841 -12.017 23.716 -28.310 1.00 0.00 -0.271 OA
ATOM 492 CB PHE 841 -14.829 24.250 -26.606 1.00 0.00 0.073 C
ATOM 493 CG PHE 841 -14.983 24.926 -27.936 1.00 0.00 -0.056 A
ATOM 494 CD1 PHE 841 -15.438 24.222 -29.037 1.00 0.00 0.007 A
ATOM 495 CD2 PHE 841 -14.659 26.263 -28.089 1.00 0.00 0.007 A
ATOM 496 CE1 PHE 841 -15.572 24.841 -30.265 1.00 0.00 0.001 A
ATOM 497 CE2 PHE 841 -14.790 26.886 -29.314 1.00 0.00 0.001 A
ATOM 498 CZ PHE 841 -15.246 26.173 -30.403 1.00 0.00 0.000 A
ATOM 499 H PHE 841 -13.802 23.477 -24.537 1.00 0.00 0.163 HD
ATOM 500 N TRP 842 -11.821 25.098 -26.545 1.00 0.00 -0.346 N
ATOM 501 CA TRP 842 -10.684 25.798 -27.131 1.00 0.00 0.181 C
ATOM 502 C TRP 842 -9.511 24.853 -27.359 1.00 0.00 0.241 C
ATOM 503 O TRP 842 -8.793 24.976 -28.358 1.00 0.00 -0.271 OA
ATOM 504 CB TRP 842 -10.260 26.956 -26.227 1.00 0.00 0.075 C
ATOM 505 CG TRP 842 -11.103 28.191 -26.355 1.00 0.00 -0.028 A
ATOM 506 CD1 TRP 842 -11.807 28.601 -27.450 1.00 0.00 0.096 A
ATOM 507 CD2 TRP 842 -11.327 29.179 -25.342 1.00 0.00 -0.002 A
ATOM 508 NE1 TRP 842 -12.452 29.785 -27.183 1.00 0.00 -0.365 N
ATOM 509 CE2 TRP 842 -12.174 30.159 -25.895 1.00 0.00 0.042 A
ATOM 510 CE3 TRP 842 -10.893 29.329 -24.022 1.00 0.00 0.014 A
ATOM 511 CZ2 TRP 842 -12.595 31.273 -25.173 1.00 0.00 0.030 A
ATOM 512 CZ3 TRP 842 -11.313 30.436 -23.307 1.00 0.00 0.001 A
ATOM 513 CH2 TRP 842 -12.154 31.394 -23.884 1.00 0.00 0.002 A
ATOM 514 H TRP 842 -12.068 25.395 -25.776 1.00 0.00 0.163 HD
ATOM 515 HE1 TRP 842 -12.950 30.218 -27.734 1.00 0.00 0.165 HD
ATOM 516 N SER 843 -9.300 23.903 -26.444 1.00 0.00 -0.344 N
ATOM 517 CA SER 843 -8.132 23.032 -26.542 1.00 0.00 0.200 C
ATOM 518 C SER 843 -8.125 22.233 -27.839 1.00 0.00 0.243 C
ATOM 519 O SER 843 -7.055 21.980 -28.402 1.00 0.00 -0.271 OA
ATOM 520 CB SER 843 -8.077 22.086 -25.341 1.00 0.00 0.199 C
ATOM 521 OG SER 843 -9.093 21.103 -25.421 1.00 0.00 -0.398 OA
ATOM 522 H SER 843 -9.809 23.746 -25.769 1.00 0.00 0.163 HD
ATOM 523 HG SER 843 -9.987 21.549 -25.460 1.00 0.00 0.209 HD
ATOM 524 N TYR 844 -9.297 21.828 -28.330 1.00 0.00 -0.346 N
ATOM 525 CA TYR 844 -9.395 21.052 -29.564 1.00 0.00 0.180 C
ATOM 526 C TYR 844 -9.627 21.928 -30.789 1.00 0.00 0.241 C
ATOM 527 O TYR 844 -8.976 21.737 -31.819 1.00 0.00 -0.271 OA
ATOM 528 CB TYR 844 -10.523 20.020 -29.461 1.00 0.00 0.073 C
ATOM 529 CG TYR 844 -10.368 19.028 -28.332 1.00 0.00 -0.056 A
ATOM 530 CD1 TYR 844 -9.621 17.868 -28.496 1.00 0.00 0.010 A
ATOM 531 CD2 TYR 844 -10.981 19.245 -27.106 1.00 0.00 0.010 A
ATOM 532 CE1 TYR 844 -9.482 16.957 -27.464 1.00 0.00 0.037 A
ATOM 533 CE2 TYR 844 -10.849 18.342 -26.073 1.00 0.00 0.037 A
ATOM 534 CZ TYR 844 -10.101 17.201 -26.256 1.00 0.00 0.065 A
ATOM 535 OH TYR 844 -9.978 16.307 -25.221 1.00 0.00 -0.361 OA
ATOM 536 H TYR 844 -10.057 21.992 -27.963 1.00 0.00 0.163 HD
ATOM 537 HH TYR 844 -9.395 16.702 -24.513 1.00 0.00 0.217 HD
ATOM 538 N PHE 845 -10.554 22.883 -30.696 1.00 0.00 -0.346 N
ATOM 539 CA PHE 845 -10.886 23.715 -31.848 1.00 0.00 0.180 C
ATOM 540 C PHE 845 -9.651 24.416 -32.402 1.00 0.00 0.241 C
ATOM 541 O PHE 845 -9.440 24.447 -33.620 1.00 0.00 -0.271 OA
ATOM 542 CB PHE 845 -11.954 24.736 -31.456 1.00 0.00 0.073 C
ATOM 543 CG PHE 845 -12.405 25.608 -32.592 1.00 0.00 -0.056 A
ATOM 544 CD1 PHE 845 -13.308 25.135 -33.529 1.00 0.00 0.007 A
ATOM 545 CD2 PHE 845 -11.934 26.905 -32.717 1.00 0.00 0.007 A
ATOM 546 CE1 PHE 845 -13.728 25.935 -34.574 1.00 0.00 0.001 A
ATOM 547 CE2 PHE 845 -12.351 27.711 -33.759 1.00 0.00 0.001 A
ATOM 548 CZ PHE 845 -13.248 27.225 -34.689 1.00 0.00 0.000 A
ATOM 549 H PHE 845 -10.999 23.066 -29.984 1.00 0.00 0.163 HD
ATOM 550 N LEU 846 -8.819 24.980 -31.524 1.00 0.00 -0.346 N
ATOM 551 CA LEU 846 -7.655 25.739 -31.968 1.00 0.00 0.177 C
ATOM 552 C LEU 846 -6.615 24.878 -32.674 1.00 0.00 0.241 C
ATOM 553 O LEU 846 -5.730 25.434 -33.334 1.00 0.00 -0.271 OA
ATOM 554 CB LEU 846 -7.010 26.447 -30.775 1.00 0.00 0.038 C
ATOM 555 CG LEU 846 -7.845 27.569 -30.158 1.00 0.00 -0.020 C
ATOM 556 CD1 LEU 846 -7.281 27.972 -28.808 1.00 0.00 0.009 C
ATOM 557 CD2 LEU 846 -7.902 28.767 -31.093 1.00 0.00 0.009 C
ATOM 558 H LEU 846 -8.909 24.937 -30.670 1.00 0.00 0.163 HD
ATOM 559 N GLU 847 -6.690 23.552 -32.557 1.00 0.00 -0.346 N
ATOM 560 CA GLU 847 -5.738 22.693 -33.254 1.00 0.00 0.177 C
ATOM 561 C GLU 847 -5.856 22.863 -34.764 1.00 0.00 0.241 C
ATOM 562 O GLU 847 -4.881 23.205 -35.444 1.00 0.00 -0.271 OA
ATOM 563 CB GLU 847 -5.960 21.232 -32.859 1.00 0.00 0.045 C
ATOM 564 CG GLU 847 -5.581 20.911 -31.425 1.00 0.00 0.116 C
ATOM 565 CD GLU 847 -5.692 19.432 -31.116 1.00 0.00 0.172 C
ATOM 566 OE1 GLU 847 -6.185 18.678 -31.981 1.00 0.00 -0.648 OA
ATOM 567 OE2 GLU 847 -5.286 19.024 -30.008 1.00 0.00 -0.648 OA
ATOM 568 H GLU 847 -7.275 23.132 -32.087 1.00 0.00 0.163 HD
ATOM 569 N ASP 848 -7.051 22.629 -35.307 1.00 0.00 -0.346 N
ATOM 570 CA ASP 848 -7.288 22.712 -36.742 1.00 0.00 0.186 C
ATOM 571 C ASP 848 -7.999 23.994 -37.155 1.00 0.00 0.241 C
ATOM 572 O ASP 848 -8.280 24.171 -38.345 1.00 0.00 -0.271 OA
ATOM 573 CB ASP 848 -8.104 21.503 -37.208 1.00 0.00 0.147 C
ATOM 574 CG ASP 848 -7.462 20.183 -36.824 1.00 0.00 0.175 C
ATOM 575 OD1 ASP 848 -7.631 19.755 -35.663 1.00 0.00 -0.648 OA
ATOM 576 OD2 ASP 848 -6.785 19.579 -37.681 1.00 0.00 -0.648 OA
ATOM 577 H ASP 848 -7.749 22.416 -34.854 1.00 0.00 0.163 HD
ATOM 578 N HIS 849 -8.300 24.885 -36.214 1.00 0.00 -0.346 N
ATOM 579 CA HIS 849 -8.962 26.151 -36.511 1.00 0.00 0.182 C
ATOM 580 C HIS 849 -8.358 27.262 -35.662 1.00 0.00 0.241 C
ATOM 581 O HIS 849 -9.056 27.983 -34.947 1.00 0.00 -0.271 OA
ATOM 582 CB HIS 849 -10.469 26.053 -36.275 1.00 0.00 0.093 C
ATOM 583 CG HIS 849 -11.149 25.020 -37.118 1.00 0.00 0.030 A
ATOM 584 H HIS 849 -8.126 24.775 -35.378 1.00 0.00 0.163 HD
ATOM 585 CD2 HIS 849 -11.372 23.702 -36.906 1.00 0.00 0.143 A
ATOM 586 HD1 HIS 849 -11.699 26.209 -38.783 1.00 0.00 0.166 HD
ATOM 587 CE1 HIS 849 -12.234 24.213 -38.857 1.00 0.00 0.207 A
ATOM 588 ND1 HIS 849 -11.702 25.309 -38.347 1.00 0.00 -0.353 N
ATOM 589 NE2 HIS 849 -12.048 23.223 -38.002 1.00 0.00 -0.254 NA
ATOM 590 N PHE 850 -7.039 27.414 -35.736 1.00 0.00 -0.346 N
ATOM 591 CA PHE 850 -6.353 28.380 -34.890 1.00 0.00 0.180 C
ATOM 592 C PHE 850 -6.873 29.787 -35.148 1.00 0.00 0.241 C
ATOM 593 O PHE 850 -6.849 30.273 -36.283 1.00 0.00 -0.271 OA
ATOM 594 CB PHE 850 -4.846 28.326 -35.129 1.00 0.00 0.073 C
ATOM 595 CG PHE 850 -4.075 29.341 -34.329 1.00 0.00 -0.056 A
ATOM 596 CD1 PHE 850 -3.692 29.071 -33.026 1.00 0.00 0.007 A
ATOM 597 CD2 PHE 850 -3.743 30.569 -34.878 1.00 0.00 0.007 A
ATOM 598 CE1 PHE 850 -2.988 30.004 -32.287 1.00 0.00 0.001 A
ATOM 599 CE2 PHE 850 -3.038 31.505 -34.145 1.00 0.00 0.001 A
ATOM 600 CZ PHE 850 -2.662 31.223 -32.848 1.00 0.00 0.000 A
ATOM 601 H PHE 850 -6.523 26.974 -36.265 1.00 0.00 0.163 HD
ATOM 602 N ASN 851 -7.339 30.437 -34.087 1.00 0.00 -0.346 N
ATOM 603 CA ASN 851 -7.724 31.841 -34.112 1.00 0.00 0.185 C