PFRMAT TS TARGET T0349 AUTHOR RAPTORESS REMARK ------=_Part_2499_3420968.1151556270992 REMARK Content-Type: multipart/alternative; REMARK boundary="----=_Part_2500_17471388.1151556270992" REMARK REMARK ------=_Part_2500_17471388.1151556270992 REMARK Content-Type: text/plain; charset=ISO-8859-1; format=flowed REMARK Content-Transfer-Encoding: 7bit REMARK Content-Disposition: inline REMARK REMARK On 6/28/06, Xin Gao wrote: REMARK > REMARK > REMARK > REMARK > On 6/27/06, Xin Gao wrote: REMARK > > REMARK > > REMARK > > -- REMARK > > Sincerely Yours, REMARK > > REMARK > > Gao Xin REMARK > > REMARK > > REMARK > REMARK > REMARK > -- REMARK > Sincerely Yours, REMARK > REMARK > Gao Xin REMARK > REMARK > REMARK REMARK REMARK -- REMARK Sincerely Yours, REMARK Gao Xin REMARK REMARK ------=_Part_2500_17471388.1151556270992 REMARK Content-Type: text/html; charset=ISO-8859-1 REMARK Content-Transfer-Encoding: 7bit REMARK Content-Disposition: inline REMARK REMARK

REMARK
On 6/28/06, Xin Gao <xin4gao@gmail.com> wrote: REMARK
REMARK


REMARK
On 6/27/06, Xin Gao <xin4gao@gmail.com> wrote: REMARK REMARK
REMARK

--
Sincerely Yours,
 
REMARK
       Gao Xin




--
Sincerely Yours,
 
REMARK
       Gao Xin




--
Sincerely Yours,
       Gao Xin REMARK REMARK ------=_Part_2500_17471388.1151556270992-- REMARK REMARK ------=_Part_2499_3420968.1151556270992 REMARK Content-Type: chemical/x-pdb; name="T0349-CASP.pdb" REMARK none METHOD threading, fragment assembling, linear programming, refinement METHOD ------------- MODEL 1 REFINED PARENT 1kvi_A ATOM 1 N MET 1 1.272 -9.219 .656 1.00 .00 ATOM 5 CA MET 1 1.714 -10.002 -.503 1.00 .00 ATOM 6 CB MET 1 2.323 -11.324 -.064 1.00 .00 ATOM 7 CG MET 1 1.391 -12.116 .839 1.00 .00 ATOM 8 SD MET 1 1.870 -13.835 1.125 1.00 .00 ATOM 9 CE MET 1 1.394 -14.534 -.470 1.00 .00 ATOM 10 C MET 1 .552 -10.286 -1.428 1.00 .00 ATOM 11 O MET 1 .666 -11.067 -2.377 1.00 .00 ATOM 12 N ARG 2 -.564 -9.644 -1.162 1.00 .00 ATOM 14 CA ARG 2 -1.773 -9.945 -1.929 1.00 .00 ATOM 15 CB ARG 2 -2.973 -9.531 -1.081 1.00 .00 ATOM 16 CG ARG 2 -2.706 -9.827 .391 1.00 .00 ATOM 17 CD ARG 2 -2.697 -11.313 .756 1.00 .00 ATOM 18 NE ARG 2 -4.055 -11.873 .805 1.00 .00 ATOM 19 CZ ARG 2 -4.618 -12.269 1.948 1.00 .00 ATOM 20 NH1 ARG 2 -3.973 -12.096 3.104 1.00 .00 ATOM 21 NH2 ARG 2 -5.851 -12.772 1.943 1.00 .00 ATOM 22 C ARG 2 -1.722 -9.149 -3.226 1.00 .00 ATOM 23 O ARG 2 -1.105 -9.558 -4.218 1.00 .00 ATOM 24 N GLU 3 -2.461 -8.056 -3.232 1.00 .00 ATOM 26 CA GLU 3 -2.380 -7.084 -4.326 1.00 .00 ATOM 27 CB GLU 3 -3.518 -7.277 -5.332 1.00 .00 ATOM 28 CG GLU 3 -3.352 -8.530 -6.202 1.00 .00 ATOM 29 CD GLU 3 -2.116 -8.437 -7.099 1.00 .00 ATOM 30 OE1 GLU 3 -1.670 -7.319 -7.351 1.00 .00 ATOM 31 OE2 GLU 3 -1.783 -9.460 -7.686 1.00 .00 ATOM 32 C GLU 3 -2.452 -5.673 -3.747 1.00 .00 ATOM 33 O GLU 3 -3.466 -4.978 -3.899 1.00 .00 ATOM 34 N LEU 4 -1.409 -5.284 -3.037 1.00 .00 ATOM 36 CA LEU 4 -1.407 -3.944 -2.429 1.00 .00 ATOM 37 CB LEU 4 -.594 -3.885 -1.134 1.00 .00 ATOM 38 CG LEU 4 -1.250 -4.497 .112 1.00 .00 ATOM 39 CD1 LEU 4 -2.688 -4.020 .281 1.00 .00 ATOM 40 CD2 LEU 4 -1.176 -6.022 .166 1.00 .00 ATOM 41 C LEU 4 -.835 -2.952 -3.433 1.00 .00 ATOM 42 O LEU 4 .382 -2.911 -3.646 1.00 .00 ATOM 43 N LEU 5 -1.732 -2.214 -4.068 1.00 .00 ATOM 45 CA LEU 5 -1.366 -1.261 -5.123 1.00 .00 ATOM 46 CB LEU 5 -2.290 -1.455 -6.323 1.00 .00 ATOM 47 CG LEU 5 -1.648 -2.239 -7.468 1.00 .00 ATOM 48 CD1 LEU 5 -.401 -1.528 -7.979 1.00 .00 ATOM 49 CD2 LEU 5 -1.325 -3.685 -7.103 1.00 .00 ATOM 50 C LEU 5 -1.458 .187 -4.658 1.00 .00 ATOM 51 O LEU 5 -2.479 .865 -4.829 1.00 .00 ATOM 52 N ARG 6 -.342 .674 -4.143 1.00 .00 ATOM 54 CA ARG 6 -.236 2.075 -3.727 1.00 .00 ATOM 55 CB ARG 6 .924 2.163 -2.742 1.00 .00 ATOM 56 CG ARG 6 .677 1.168 -1.609 1.00 .00 ATOM 57 CD ARG 6 1.839 1.066 -.625 1.00 .00 ATOM 58 NE ARG 6 1.966 2.250 .242 1.00 .00 ATOM 59 CZ ARG 6 1.714 2.209 1.554 1.00 .00 ATOM 60 NH1 ARG 6 1.236 1.092 2.107 1.00 .00 ATOM 61 NH2 ARG 6 1.884 3.300 2.304 1.00 .00 ATOM 62 C ARG 6 -.041 2.932 -4.979 1.00 .00 ATOM 63 O ARG 6 .480 2.436 -5.981 1.00 .00 ATOM 64 N THR 7 -.517 4.162 -4.970 1.00 .00 ATOM 66 CA THR 7 -.571 4.900 -6.236 1.00 .00 ATOM 67 CB THR 7 -1.982 5.453 -6.406 1.00 .00 ATOM 68 OG1 THR 7 -2.886 4.366 -6.253 1.00 .00 ATOM 69 CG2 THR 7 -2.202 6.053 -7.791 1.00 .00 ATOM 70 C THR 7 .473 6.009 -6.350 1.00 .00 ATOM 71 O THR 7 1.452 5.834 -7.088 1.00 .00 ATOM 72 N ASN 8 .322 7.076 -5.577 1.00 .00 ATOM 74 CA ASN 8 1.158 8.278 -5.757 1.00 .00 ATOM 75 CB ASN 8 .751 9.346 -4.754 1.00 .00 ATOM 76 CG ASN 8 -.353 10.210 -5.354 1.00 .00 ATOM 77 OD1 ASN 8 -1.031 9.819 -6.313 1.00 .00 ATOM 78 ND2 ASN 8 -.407 11.443 -4.883 1.00 .00 ATOM 81 C ASN 8 2.658 8.035 -5.670 1.00 .00 ATOM 82 O ASN 8 3.244 7.955 -4.583 1.00 .00 ATOM 83 N ASP 9 3.291 8.263 -6.812 1.00 .00 ATOM 85 CA ASP 9 4.717 7.958 -6.975 1.00 .00 ATOM 86 CB ASP 9 5.036 7.687 -8.448 1.00 .00 ATOM 87 CG ASP 9 4.794 8.901 -9.343 1.00 .00 ATOM 88 OD1 ASP 9 3.686 9.025 -9.846 1.00 .00 ATOM 89 OD2 ASP 9 5.740 9.649 -9.560 1.00 .00 ATOM 90 C ASP 9 5.639 9.037 -6.408 1.00 .00 ATOM 91 O ASP 9 6.788 8.725 -6.077 1.00 .00 ATOM 92 N ALA 10 5.075 10.172 -6.024 1.00 .00 ATOM 94 CA ALA 10 5.887 11.243 -5.433 1.00 .00 ATOM 95 CB ALA 10 5.132 12.558 -5.584 1.00 .00 ATOM 96 C ALA 10 6.196 10.997 -3.954 1.00 .00 ATOM 97 O ALA 10 7.185 11.520 -3.432 1.00 .00 ATOM 98 N VAL 11 5.427 10.123 -3.323 1.00 .00 ATOM 100 CA VAL 11 5.695 9.756 -1.932 1.00 .00 ATOM 101 CB VAL 11 4.467 10.110 -1.099 1.00 .00 ATOM 102 CG1 VAL 11 3.251 9.305 -1.547 1.00 .00 ATOM 103 CG2 VAL 11 4.727 9.922 .392 1.00 .00 ATOM 104 C VAL 11 6.002 8.262 -1.850 1.00 .00 ATOM 105 O VAL 11 6.462 7.754 -.817 1.00 .00 ATOM 106 N LEU 12 6.013 7.639 -3.018 1.00 .00 ATOM 108 CA LEU 12 6.081 6.182 -3.105 1.00 .00 ATOM 109 CB LEU 12 5.738 5.808 -4.536 1.00 .00 ATOM 110 CG LEU 12 5.161 4.410 -4.649 1.00 .00 ATOM 111 CD1 LEU 12 3.915 4.295 -3.778 1.00 .00 ATOM 112 CD2 LEU 12 4.835 4.105 -6.107 1.00 .00 ATOM 113 C LEU 12 7.469 5.656 -2.778 1.00 .00 ATOM 114 O LEU 12 7.570 4.640 -2.084 1.00 .00 ATOM 115 N LEU 13 8.471 6.503 -2.947 1.00 .00 ATOM 117 CA LEU 13 9.848 6.111 -2.627 1.00 .00 ATOM 118 CB LEU 13 10.839 7.008 -3.373 1.00 .00 ATOM 119 CG LEU 13 11.178 6.534 -4.793 1.00 .00 ATOM 120 CD1 LEU 13 10.055 6.772 -5.803 1.00 .00 ATOM 121 CD2 LEU 13 12.442 7.230 -5.286 1.00 .00 ATOM 122 C LEU 13 10.135 6.168 -1.122 1.00 .00 ATOM 123 O LEU 13 11.069 5.508 -.654 1.00 .00 ATOM 124 N SER 14 9.261 6.805 -.360 1.00 .00 ATOM 126 CA SER 14 9.409 6.812 1.094 1.00 .00 ATOM 127 CB SER 14 9.004 8.188 1.606 1.00 .00 ATOM 128 OG SER 14 9.789 9.148 .913 1.00 .00 ATOM 129 C SER 14 8.503 5.749 1.705 1.00 .00 ATOM 130 O SER 14 8.894 5.054 2.654 1.00 .00 ATOM 131 N ALA 15 7.428 5.459 .988 1.00 .00 ATOM 133 CA ALA 15 6.470 4.447 1.434 1.00 .00 ATOM 134 CB ALA 15 5.177 4.619 .646 1.00 .00 ATOM 135 C ALA 15 7.012 3.038 1.229 1.00 .00 ATOM 136 O ALA 15 6.864 2.200 2.126 1.00 .00 ATOM 137 N VAL 16 7.870 2.873 .232 1.00 .00 ATOM 139 CA VAL 16 8.507 1.572 .015 1.00 .00 ATOM 140 CB VAL 16 8.988 1.467 -1.428 1.00 .00 ATOM 141 CG1 VAL 16 7.815 1.578 -2.389 1.00 .00 ATOM 142 CG2 VAL 16 10.058 2.497 -1.770 1.00 .00 ATOM 143 C VAL 16 9.666 1.323 .981 1.00 .00 ATOM 144 O VAL 16 9.947 .157 1.275 1.00 .00 ATOM 145 N GLY 17 10.129 2.366 1.654 1.00 .00 ATOM 147 CA GLY 17 11.135 2.206 2.701 1.00 .00 ATOM 148 C GLY 17 10.481 1.531 3.897 1.00 .00 ATOM 149 O GLY 17 10.874 .416 4.269 1.00 .00 ATOM 150 N ALA 18 9.330 2.057 4.284 1.00 .00 ATOM 152 CA ALA 18 8.592 1.497 5.421 1.00 .00 ATOM 153 CB ALA 18 7.550 2.515 5.863 1.00 .00 ATOM 154 C ALA 18 7.911 .163 5.099 1.00 .00 ATOM 155 O ALA 18 7.775 -.678 5.995 1.00 .00 ATOM 156 N LEU 19 7.661 -.104 3.827 1.00 .00 ATOM 158 CA LEU 19 7.169 -1.427 3.431 1.00 .00 ATOM 159 CB LEU 19 6.711 -1.373 1.978 1.00 .00 ATOM 160 CG LEU 19 5.387 -.641 1.817 1.00 .00 ATOM 161 CD1 LEU 19 5.129 -.303 .356 1.00 .00 ATOM 162 CD2 LEU 19 4.239 -1.456 2.400 1.00 .00 ATOM 163 C LEU 19 8.266 -2.476 3.556 1.00 .00 ATOM 164 O LEU 19 8.150 -3.372 4.403 1.00 .00 ATOM 165 N LEU 20 9.415 -2.163 2.976 1.00 .00 ATOM 167 CA LEU 20 10.540 -3.101 2.889 1.00 .00 ATOM 168 CB LEU 20 11.581 -2.427 1.999 1.00 .00 ATOM 169 CG LEU 20 12.694 -3.362 1.549 1.00 .00 ATOM 170 CD1 LEU 20 12.215 -4.205 .375 1.00 .00 ATOM 171 CD2 LEU 20 13.916 -2.557 1.123 1.00 .00 ATOM 172 C LEU 20 11.183 -3.361 4.249 1.00 .00 ATOM 173 O LEU 20 11.563 -4.495 4.560 1.00 .00 ATOM 174 N ASP 21 11.170 -2.340 5.091 1.00 .00 ATOM 176 CA ASP 21 11.777 -2.422 6.422 1.00 .00 ATOM 177 CB ASP 21 12.398 -1.065 6.747 1.00 .00 ATOM 178 CG ASP 21 13.412 -.638 5.686 1.00 .00 ATOM 179 OD1 ASP 21 14.104 -1.504 5.166 1.00 .00 ATOM 180 OD2 ASP 21 13.566 .564 5.506 1.00 .00 ATOM 181 C ASP 21 10.780 -2.775 7.528 1.00 .00 ATOM 182 O ASP 21 11.178 -2.837 8.699 1.00 .00 ATOM 183 N GLY 22 9.516 -2.962 7.188 1.00 .00 ATOM 185 CA GLY 22 8.511 -3.264 8.212 1.00 .00 ATOM 186 C GLY 22 8.547 -4.750 8.530 1.00 .00 ATOM 187 O GLY 22 9.195 -5.186 9.488 1.00 .00 ATOM 188 N ALA 23 7.810 -5.508 7.740 1.00 .00 ATOM 190 CA ALA 23 7.878 -6.969 7.823 1.00 .00 ATOM 191 CB ALA 23 6.522 -7.567 7.469 1.00 .00 ATOM 192 C ALA 23 8.931 -7.430 6.827 1.00 .00 ATOM 193 O ALA 23 9.613 -6.591 6.229 1.00 .00 ATOM 194 N ASP 24 9.109 -8.731 6.690 1.00 .00 ATOM 196 CA ASP 24 10.029 -9.227 5.661 1.00 .00 ATOM 197 CB ASP 24 10.316 -10.705 5.893 1.00 .00 ATOM 198 CG ASP 24 11.310 -11.208 4.850 1.00 .00 ATOM 199 OD1 ASP 24 12.286 -10.510 4.612 1.00 .00 ATOM 200 OD2 ASP 24 11.093 -12.297 4.340 1.00 .00 ATOM 201 C ASP 24 9.425 -9.041 4.273 1.00 .00 ATOM 202 O ASP 24 8.432 -9.694 3.920 1.00 .00 ATOM 203 N ILE 25 9.939 -8.039 3.576 1.00 .00 ATOM 205 CA ILE 25 9.576 -7.786 2.178 1.00 .00 ATOM 206 CB ILE 25 8.894 -6.415 1.999 1.00 .00 ATOM 207 CG2 ILE 25 8.998 -5.938 .553 1.00 .00 ATOM 208 CG1 ILE 25 7.417 -6.380 2.405 1.00 .00 ATOM 209 CD1 ILE 25 7.146 -6.284 3.902 1.00 .00 ATOM 210 C ILE 25 10.846 -7.858 1.330 1.00 .00 ATOM 211 O ILE 25 11.775 -7.062 1.506 1.00 .00 ATOM 212 N GLY 26 10.924 -8.902 .524 1.00 .00 ATOM 214 CA GLY 26 12.030 -9.074 -.423 1.00 .00 ATOM 215 C GLY 26 12.128 -7.874 -1.357 1.00 .00 ATOM 216 O GLY 26 13.049 -7.057 -1.234 1.00 .00 ATOM 217 N HIS 27 11.216 -7.796 -2.310 1.00 .00 ATOM 219 CA HIS 27 11.180 -6.622 -3.185 1.00 .00 ATOM 220 CB HIS 27 12.009 -6.857 -4.451 1.00 .00 ATOM 221 CG HIS 27 11.529 -7.932 -5.410 1.00 .00 ATOM 222 ND1 HIS 27 11.883 -9.231 -5.406 1.00 .00 ATOM 224 CE1 HIS 27 11.258 -9.868 -6.418 1.00 .00 ATOM 225 NE2 HIS 27 10.514 -8.952 -7.079 1.00 .00 ATOM 226 CD2 HIS 27 10.677 -7.754 -6.475 1.00 .00 ATOM 227 C HIS 27 9.748 -6.218 -3.525 1.00 .00 ATOM 228 O HIS 27 8.775 -6.881 -3.143 1.00 .00 ATOM 229 N LEU 28 9.645 -5.044 -4.122 1.00 .00 ATOM 231 CA LEU 28 8.355 -4.488 -4.553 1.00 .00 ATOM 232 CB LEU 28 7.795 -3.607 -3.432 1.00 .00 ATOM 233 CG LEU 28 8.861 -2.830 -2.652 1.00 .00 ATOM 234 CD1 LEU 28 9.396 -1.625 -3.418 1.00 .00 ATOM 235 CD2 LEU 28 8.299 -2.364 -1.315 1.00 .00 ATOM 236 C LEU 28 8.486 -3.735 -5.880 1.00 .00 ATOM 237 O LEU 28 9.528 -3.136 -6.174 1.00 .00 ATOM 238 N VAL 29 7.442 -3.798 -6.689 1.00 .00 ATOM 240 CA VAL 29 7.484 -3.153 -8.008 1.00 .00 ATOM 241 CB VAL 29 6.628 -3.965 -8.974 1.00 .00 ATOM 242 CG1 VAL 29 6.615 -3.338 -10.366 1.00 .00 ATOM 243 CG2 VAL 29 7.114 -5.408 -9.046 1.00 .00 ATOM 244 C VAL 29 6.975 -1.717 -7.952 1.00 .00 ATOM 245 O VAL 29 5.766 -1.475 -7.858 1.00 .00 ATOM 246 N LEU 30 7.897 -.774 -8.029 1.00 .00 ATOM 248 CA LEU 30 7.524 .647 -8.027 1.00 .00 ATOM 249 CB LEU 30 8.361 1.407 -6.989 1.00 .00 ATOM 250 CG LEU 30 9.767 .848 -6.739 1.00 .00 ATOM 251 CD1 LEU 30 10.758 1.165 -7.857 1.00 .00 ATOM 252 CD2 LEU 30 10.317 1.409 -5.433 1.00 .00 ATOM 253 C LEU 30 7.604 1.292 -9.413 1.00 .00 ATOM 254 O LEU 30 8.572 1.977 -9.759 1.00 .00 ATOM 255 N ASP 31 6.550 1.111 -10.191 1.00 .00 ATOM 257 CA ASP 31 6.521 1.743 -11.513 1.00 .00 ATOM 258 CB ASP 31 5.683 .922 -12.496 1.00 .00 ATOM 259 CG ASP 31 4.311 .543 -11.941 1.00 .00 ATOM 260 OD1 ASP 31 4.127 -.634 -11.665 1.00 .00 ATOM 261 OD2 ASP 31 3.433 1.397 -11.961 1.00 .00 ATOM 262 C ASP 31 6.023 3.179 -11.385 1.00 .00 ATOM 263 O ASP 31 4.994 3.454 -10.756 1.00 .00 ATOM 264 N GLN 32 6.798 4.106 -11.921 1.00 .00 ATOM 266 CA GLN 32 6.429 5.518 -11.796 1.00 .00 ATOM 267 CB GLN 32 7.682 6.382 -11.864 1.00 .00 ATOM 268 CG GLN 32 7.297 7.854 -11.789 1.00 .00 ATOM 269 CD GLN 32 8.518 8.753 -11.871 1.00 .00 ATOM 270 OE1 GLN 32 9.525 8.403 -12.499 1.00 .00 ATOM 271 NE2 GLN 32 8.404 9.908 -11.239 1.00 .00 ATOM 274 C GLN 32 5.465 5.966 -12.886 1.00 .00 ATOM 275 O GLN 32 4.571 6.771 -12.594 1.00 .00 ATOM 276 N ASN 33 5.527 5.300 -14.031 1.00 .00 ATOM 278 CA ASN 33 4.675 5.611 -15.195 1.00 .00 ATOM 279 CB ASN 33 3.225 5.212 -14.916 1.00 .00 ATOM 280 CG ASN 33 3.108 3.778 -14.402 1.00 .00 ATOM 281 OD1 ASN 33 3.921 2.899 -14.727 1.00 .00 ATOM 282 ND2 ASN 33 2.104 3.575 -13.569 1.00 .00 ATOM 285 C ASN 33 4.723 7.104 -15.501 1.00 .00 ATOM 286 O ASN 33 3.876 7.870 -15.030 1.00 .00 ATOM 287 N MET 34 5.703 7.511 -16.289 1.00 .00 ATOM 289 CA MET 34 5.912 8.943 -16.539 1.00 .00 ATOM 290 CB MET 34 7.356 9.143 -16.976 1.00 .00 ATOM 291 CG MET 34 8.316 8.670 -15.891 1.00 .00 ATOM 292 SD MET 34 10.072 8.809 -16.293 1.00 .00 ATOM 293 CE MET 34 10.105 7.751 -17.759 1.00 .00 ATOM 294 C MET 34 4.961 9.513 -17.592 1.00 .00 ATOM 295 O MET 34 5.265 9.526 -18.790 1.00 .00 ATOM 296 N SER 35 3.803 9.947 -17.127 1.00 .00 ATOM 298 CA SER 35 2.834 10.625 -17.988 1.00 .00 ATOM 299 CB SER 35 1.867 9.579 -18.540 1.00 .00 ATOM 300 OG SER 35 1.427 10.002 -19.827 1.00 .00 ATOM 301 C SER 35 2.111 11.674 -17.141 1.00 .00 ATOM 302 O SER 35 2.757 12.452 -16.432 1.00 .00 ATOM 303 N ILE 36 .801 11.766 -17.301 1.00 .00 ATOM 305 CA ILE 36 -.011 12.591 -16.403 1.00 .00 ATOM 306 CB ILE 36 -.952 13.477 -17.228 1.00 .00 ATOM 307 CG2 ILE 36 -.177 14.643 -17.834 1.00 .00 ATOM 308 CG1 ILE 36 -1.711 12.724 -18.324 1.00 .00 ATOM 309 CD1 ILE 36 -2.987 12.046 -17.827 1.00 .00 ATOM 310 C ILE 36 -.749 11.698 -15.405 1.00 .00 ATOM 311 O ILE 36 -1.367 12.170 -14.444 1.00 .00 ATOM 312 N LEU 37 -.653 10.402 -15.650 1.00 .00 ATOM 314 CA LEU 37 -1.248 9.399 -14.771 1.00 .00 ATOM 315 CB LEU 37 -1.622 8.197 -15.637 1.00 .00 ATOM 316 CG LEU 37 -2.491 7.181 -14.903 1.00 .00 ATOM 317 CD1 LEU 37 -3.792 7.821 -14.428 1.00 .00 ATOM 318 CD2 LEU 37 -2.782 5.976 -15.790 1.00 .00 ATOM 319 C LEU 37 -.225 9.001 -13.711 1.00 .00 ATOM 320 O LEU 37 .967 8.890 -14.009 1.00 .00 ATOM 321 N GLU 38 -.693 8.836 -12.484 1.00 .00 ATOM 323 CA GLU 38 .171 8.437 -11.363 1.00 .00 ATOM 324 CB GLU 38 -.643 8.489 -10.075 1.00 .00 ATOM 325 CG GLU 38 -.854 9.913 -9.573 1.00 .00 ATOM 326 CD GLU 38 .448 10.466 -8.998 1.00 .00 ATOM 327 OE1 GLU 38 1.272 9.666 -8.563 1.00 .00 ATOM 328 OE2 GLU 38 .603 11.679 -8.996 1.00 .00 ATOM 329 C GLU 38 .765 7.036 -11.505 1.00 .00 ATOM 330 O GLU 38 .303 6.186 -12.281 1.00 .00 ATOM 331 N GLY 39 1.814 6.831 -10.730 1.00 .00 ATOM 333 CA GLY 39 2.482 5.532 -10.642 1.00 .00 ATOM 334 C GLY 39 1.685 4.474 -9.885 1.00 .00 ATOM 335 O GLY 39 .487 4.633 -9.608 1.00 .00 ATOM 336 N SER 40 2.340 3.337 -9.719 1.00 .00 ATOM 338 CA SER 40 1.774 2.176 -9.022 1.00 .00 ATOM 339 CB SER 40 1.021 1.292 -10.013 1.00 .00 ATOM 340 OG SER 40 -.023 2.046 -10.613 1.00 .00 ATOM 341 C SER 40 2.861 1.330 -8.352 1.00 .00 ATOM 342 O SER 40 3.839 .893 -8.974 1.00 .00 ATOM 343 N LEU 41 2.654 1.105 -7.069 1.00 .00 ATOM 345 CA LEU 41 3.499 .215 -6.268 1.00 .00 ATOM 346 CB LEU 41 3.784 .915 -4.937 1.00 .00 ATOM 347 CG LEU 41 4.744 .189 -3.990 1.00 .00 ATOM 348 CD1 LEU 41 4.065 -.835 -3.087 1.00 .00 ATOM 349 CD2 LEU 41 5.944 -.402 -4.715 1.00 .00 ATOM 350 C LEU 41 2.756 -1.093 -6.034 1.00 .00 ATOM 351 O LEU 41 1.738 -1.111 -5.334 1.00 .00 ATOM 352 N GLY 42 3.307 -2.175 -6.552 1.00 .00 ATOM 354 CA GLY 42 2.721 -3.502 -6.341 1.00 .00 ATOM 355 C GLY 42 3.662 -4.434 -5.579 1.00 .00 ATOM 356 O GLY 42 4.729 -4.817 -6.078 1.00 .00 ATOM 357 N VAL 43 3.296 -4.741 -4.344 1.00 .00 ATOM 359 CA VAL 43 4.062 -5.747 -3.590 1.00 .00 ATOM 360 CB VAL 43 3.874 -5.557 -2.085 1.00 .00 ATOM 361 CG1 VAL 43 4.480 -4.238 -1.619 1.00 .00 ATOM 362 CG2 VAL 43 2.410 -5.656 -1.668 1.00 .00 ATOM 363 C VAL 43 3.645 -7.151 -4.033 1.00 .00 ATOM 364 O VAL 43 2.455 -7.484 -4.075 1.00 .00 ATOM 365 N ILE 44 4.636 -7.954 -4.375 1.00 .00 ATOM 367 CA ILE 44 4.365 -9.282 -4.939 1.00 .00 ATOM 368 CB ILE 44 5.409 -9.651 -6.008 1.00 .00 ATOM 369 CG2 ILE 44 5.682 -8.456 -6.913 1.00 .00 ATOM 370 CG1 ILE 44 6.732 -10.178 -5.450 1.00 .00 ATOM 371 CD1 ILE 44 7.662 -9.071 -4.976 1.00 .00 ATOM 372 C ILE 44 4.295 -10.363 -3.858 1.00 .00 ATOM 373 O ILE 44 4.997 -10.311 -2.837 1.00 .00 ATOM 374 N PRO 45 3.423 -11.327 -4.103 1.00 .00 ATOM 375 CA PRO 45 3.290 -12.493 -3.226 1.00 .00 ATOM 376 CB PRO 45 2.262 -13.366 -3.876 1.00 .00 ATOM 377 CG PRO 45 1.735 -12.683 -5.128 1.00 .00 ATOM 378 CD PRO 45 2.510 -11.384 -5.251 1.00 .00 ATOM 379 C PRO 45 4.598 -13.245 -3.022 1.00 .00 ATOM 380 O PRO 45 5.518 -13.139 -3.843 1.00 .00 ATOM 381 N ARG 46 4.752 -13.706 -1.788 1.00 .00 ATOM 383 CA ARG 46 5.837 -14.612 -1.356 1.00 .00 ATOM 384 CB ARG 46 6.051 -15.675 -2.439 1.00 .00 ATOM 385 CG ARG 46 6.908 -16.857 -1.987 1.00 .00 ATOM 386 CD ARG 46 6.076 -18.075 -1.575 1.00 .00 ATOM 387 NE ARG 46 5.134 -17.777 -.482 1.00 .00 ATOM 388 CZ ARG 46 5.408 -17.962 .811 1.00 .00 ATOM 389 NH1 ARG 46 6.562 -18.526 1.180 1.00 .00 ATOM 390 NH2 ARG 46 4.502 -17.634 1.734 1.00 .00 ATOM 391 C ARG 46 7.156 -13.896 -1.019 1.00 .00 ATOM 392 O ARG 46 8.021 -14.472 -.349 1.00 .00 ATOM 393 N ARG 47 7.292 -12.644 -1.422 1.00 .00 ATOM 395 CA ARG 47 8.439 -11.858 -.979 1.00 .00 ATOM 396 CB ARG 47 8.834 -10.859 -2.054 1.00 .00 ATOM 397 CG ARG 47 9.633 -11.536 -3.157 1.00 .00 ATOM 398 CD ARG 47 10.915 -12.136 -2.593 1.00 .00 ATOM 399 NE ARG 47 11.752 -12.666 -3.678 1.00 .00 ATOM 400 CZ ARG 47 13.017 -12.284 -3.869 1.00 .00 ATOM 401 NH1 ARG 47 13.592 -11.431 -3.019 1.00 .00 ATOM 402 NH2 ARG 47 13.716 -12.778 -4.894 1.00 .00 ATOM 403 C ARG 47 8.095 -11.140 .311 1.00 .00 ATOM 404 O ARG 47 8.981 -10.867 1.129 1.00 .00 ATOM 405 N VAL 48 6.820 -10.837 .466 1.00 .00 ATOM 407 CA VAL 48 6.328 -10.371 1.755 1.00 .00 ATOM 408 CB VAL 48 5.500 -9.107 1.559 1.00 .00 ATOM 409 CG1 VAL 48 5.015 -8.952 .127 1.00 .00 ATOM 410 CG2 VAL 48 4.389 -8.941 2.586 1.00 .00 ATOM 411 C VAL 48 5.560 -11.490 2.444 1.00 .00 ATOM 412 O VAL 48 4.692 -12.140 1.849 1.00 .00 ATOM 413 N LEU 49 6.018 -11.812 3.639 1.00 .00 ATOM 415 CA LEU 49 5.423 -12.926 4.395 1.00 .00 ATOM 416 CB LEU 49 6.423 -13.455 5.422 1.00 .00 ATOM 417 CG LEU 49 7.311 -14.595 4.905 1.00 .00 ATOM 418 CD1 LEU 49 6.459 -15.724 4.336 1.00 .00 ATOM 419 CD2 LEU 49 8.353 -14.149 3.884 1.00 .00 ATOM 420 C LEU 49 4.135 -12.536 5.112 1.00 .00 ATOM 421 O LEU 49 4.193 -11.867 6.153 1.00 .00 ATOM 422 N VAL 50 3.078 -13.270 4.782 1.00 .00 ATOM 424 CA VAL 50 1.742 -13.038 5.364 1.00 .00 ATOM 425 CB VAL 50 .705 -13.735 4.477 1.00 .00 ATOM 426 CG1 VAL 50 .972 -15.231 4.338 1.00 .00 ATOM 427 CG2 VAL 50 -.728 -13.498 4.946 1.00 .00 ATOM 428 C VAL 50 1.610 -13.535 6.811 1.00 .00 ATOM 429 O VAL 50 .791 -13.001 7.569 1.00 .00 ATOM 430 N HIS 51 2.565 -14.341 7.251 1.00 .00 ATOM 432 CA HIS 51 2.586 -14.818 8.635 1.00 .00 ATOM 433 CB HIS 51 3.423 -16.093 8.666 1.00 .00 ATOM 434 CG HIS 51 3.587 -16.713 10.038 1.00 .00 ATOM 435 ND1 HIS 51 2.604 -17.033 10.901 1.00 .00 ATOM 437 CE1 HIS 51 3.146 -17.564 12.015 1.00 .00 ATOM 438 NE2 HIS 51 4.489 -17.573 11.854 1.00 .00 ATOM 439 CD2 HIS 51 4.776 -17.051 10.640 1.00 .00 ATOM 440 C HIS 51 3.193 -13.770 9.569 1.00 .00 ATOM 441 O HIS 51 2.918 -13.767 10.774 1.00 .00 ATOM 442 N GLU 52 3.915 -12.824 8.991 1.00 .00 ATOM 444 CA GLU 52 4.453 -11.716 9.773 1.00 .00 ATOM 445 CB GLU 52 5.839 -11.384 9.244 1.00 .00 ATOM 446 CG GLU 52 6.773 -12.584 9.290 1.00 .00 ATOM 447 CD GLU 52 8.072 -12.202 8.594 1.00 .00 ATOM 448 OE1 GLU 52 8.272 -11.007 8.410 1.00 .00 ATOM 449 OE2 GLU 52 8.717 -13.094 8.064 1.00 .00 ATOM 450 C GLU 52 3.559 -10.504 9.576 1.00 .00 ATOM 451 O GLU 52 3.451 -9.635 10.449 1.00 .00 ATOM 452 N ASP 53 2.930 -10.465 8.413 1.00 .00 ATOM 454 CA ASP 53 2.011 -9.381 8.085 1.00 .00 ATOM 455 CB ASP 53 2.825 -8.130 7.782 1.00 .00 ATOM 456 CG ASP 53 1.875 -6.961 7.582 1.00 .00 ATOM 457 OD1 ASP 53 .849 -6.954 8.251 1.00 .00 ATOM 458 OD2 ASP 53 2.160 -6.126 6.735 1.00 .00 ATOM 459 C ASP 53 1.140 -9.702 6.873 1.00 .00 ATOM 460 O ASP 53 1.618 -9.799 5.735 1.00 .00 ATOM 461 N ASP 54 -.153 -9.803 7.128 1.00 .00 ATOM 463 CA ASP 54 -1.151 -9.894 6.053 1.00 .00 ATOM 464 CB ASP 54 -2.427 -10.531 6.608 1.00 .00 ATOM 465 CG ASP 54 -2.927 -9.800 7.853 1.00 .00 ATOM 466 OD1 ASP 54 -2.698 -10.291 8.947 1.00 .00 ATOM 467 OD2 ASP 54 -3.547 -8.760 7.673 1.00 .00 ATOM 468 C ASP 54 -1.414 -8.501 5.462 1.00 .00 ATOM 469 O ASP 54 -.675 -7.553 5.759 1.00 .00 ATOM 470 N LEU 55 -2.504 -8.346 4.723 1.00 .00 ATOM 472 CA LEU 55 -2.787 -7.065 4.041 1.00 .00 ATOM 473 CB LEU 55 -3.841 -7.315 2.954 1.00 .00 ATOM 474 CG LEU 55 -5.059 -8.139 3.394 1.00 .00 ATOM 475 CD1 LEU 55 -6.062 -7.330 4.214 1.00 .00 ATOM 476 CD2 LEU 55 -5.780 -8.694 2.172 1.00 .00 ATOM 477 C LEU 55 -3.200 -5.891 4.949 1.00 .00 ATOM 478 O LEU 55 -3.030 -4.734 4.544 1.00 .00 ATOM 479 N ALA 56 -3.474 -6.162 6.218 1.00 .00 ATOM 481 CA ALA 56 -3.856 -5.105 7.154 1.00 .00 ATOM 482 CB ALA 56 -4.542 -5.749 8.352 1.00 .00 ATOM 483 C ALA 56 -2.653 -4.299 7.635 1.00 .00 ATOM 484 O ALA 56 -2.813 -3.114 7.941 1.00 .00 ATOM 485 N GLY 57 -1.458 -4.831 7.431 1.00 .00 ATOM 487 CA GLY 57 -.236 -4.108 7.788 1.00 .00 ATOM 488 C GLY 57 .010 -2.941 6.843 1.00 .00 ATOM 489 O GLY 57 .297 -1.830 7.304 1.00 .00 ATOM 490 N ALA 58 -.322 -3.128 5.574 1.00 .00 ATOM 492 CA ALA 58 -.171 -2.040 4.603 1.00 .00 ATOM 493 CB ALA 58 -.207 -2.627 3.198 1.00 .00 ATOM 494 C ALA 58 -1.274 -.991 4.754 1.00 .00 ATOM 495 O ALA 58 -1.000 .206 4.596 1.00 .00 ATOM 496 N ARG 59 -2.396 -1.394 5.330 1.00 .00 ATOM 498 CA ARG 59 -3.467 -.441 5.618 1.00 .00 ATOM 499 CB ARG 59 -4.756 -1.216 5.844 1.00 .00 ATOM 500 CG ARG 59 -5.938 -.274 6.026 1.00 .00 ATOM 501 CD ARG 59 -7.145 -1.016 6.584 1.00 .00 ATOM 502 NE ARG 59 -6.847 -1.513 7.936 1.00 .00 ATOM 503 CZ ARG 59 -7.075 -2.767 8.329 1.00 .00 ATOM 504 NH1 ARG 59 -7.578 -3.655 7.468 1.00 .00 ATOM 505 NH2 ARG 59 -6.781 -3.137 9.577 1.00 .00 ATOM 506 C ARG 59 -3.146 .367 6.876 1.00 .00 ATOM 507 O ARG 59 -3.387 1.578 6.901 1.00 .00 ATOM 508 N ARG 60 -2.392 -.230 7.786 1.00 .00 ATOM 510 CA ARG 60 -1.933 .487 8.980 1.00 .00 ATOM 511 CB ARG 60 -1.520 -.538 10.026 1.00 .00 ATOM 512 CG ARG 60 -2.715 -1.343 10.518 1.00 .00 ATOM 513 CD ARG 60 -2.264 -2.464 11.446 1.00 .00 ATOM 514 NE ARG 60 -1.444 -1.926 12.543 1.00 .00 ATOM 515 CZ ARG 60 -1.827 -1.933 13.822 1.00 .00 ATOM 516 NH1 ARG 60 -3.005 -2.460 14.164 1.00 .00 ATOM 517 NH2 ARG 60 -1.027 -1.420 14.759 1.00 .00 ATOM 518 C ARG 60 -.750 1.398 8.669 1.00 .00 ATOM 519 O ARG 60 -.686 2.510 9.211 1.00 .00 ATOM 520 N LEU 61 -.012 1.065 7.621 1.00 .00 ATOM 522 CA LEU 61 1.062 1.941 7.151 1.00 .00 ATOM 523 CB LEU 61 1.957 1.172 6.189 1.00 .00 ATOM 524 CG LEU 61 3.170 2.005 5.796 1.00 .00 ATOM 525 CD1 LEU 61 3.981 2.390 7.028 1.00 .00 ATOM 526 CD2 LEU 61 4.047 1.262 4.799 1.00 .00 ATOM 527 C LEU 61 .468 3.158 6.451 1.00 .00 ATOM 528 O LEU 61 .850 4.291 6.772 1.00 .00 ATOM 529 N LEU 62 -.663 2.943 5.799 1.00 .00 ATOM 531 CA LEU 62 -1.426 4.046 5.213 1.00 .00 ATOM 532 CB LEU 62 -2.478 3.426 4.288 1.00 .00 ATOM 533 CG LEU 62 -3.461 4.410 3.649 1.00 .00 ATOM 534 CD1 LEU 62 -4.716 4.670 4.482 1.00 .00 ATOM 535 CD2 LEU 62 -2.806 5.699 3.166 1.00 .00 ATOM 536 C LEU 62 -2.074 4.906 6.302 1.00 .00 ATOM 537 O LEU 62 -2.029 6.136 6.184 1.00 .00 ATOM 538 N THR 63 -2.388 4.314 7.442 1.00 .00 ATOM 540 CA THR 63 -2.986 5.067 8.548 1.00 .00 ATOM 541 CB THR 63 -3.607 4.065 9.518 1.00 .00 ATOM 542 OG1 THR 63 -4.586 3.317 8.810 1.00 .00 ATOM 543 CG2 THR 63 -4.297 4.744 10.695 1.00 .00 ATOM 544 C THR 63 -1.955 5.932 9.277 1.00 .00 ATOM 545 O THR 63 -2.308 6.996 9.797 1.00 .00 ATOM 546 N ASP 64 -.682 5.579 9.176 1.00 .00 ATOM 548 CA ASP 64 .363 6.443 9.734 1.00 .00 ATOM 549 CB ASP 64 1.430 5.611 10.448 1.00 .00 ATOM 550 CG ASP 64 2.191 4.671 9.516 1.00 .00 ATOM 551 OD1 ASP 64 3.128 5.143 8.887 1.00 .00 ATOM 552 OD2 ASP 64 2.025 3.470 9.694 1.00 .00 ATOM 553 C ASP 64 1.001 7.350 8.677 1.00 .00 ATOM 554 O ASP 64 1.923 8.110 9.001 1.00 .00 ATOM 555 N ALA 65 .524 7.285 7.443 1.00 .00 ATOM 557 CA ALA 65 1.084 8.127 6.380 1.00 .00 ATOM 558 CB ALA 65 1.482 7.233 5.211 1.00 .00 ATOM 559 C ALA 65 .093 9.187 5.899 1.00 .00 ATOM 560 O ALA 65 .437 10.371 5.803 1.00 .00 ATOM 561 N GLY 66 -1.124 8.754 5.612 1.00 .00 ATOM 563 CA GLY 66 -2.176 9.645 5.102 1.00 .00 ATOM 564 C GLY 66 -1.945 10.054 3.647 1.00 .00 ATOM 565 O GLY 66 -2.176 11.211 3.278 1.00 .00 ATOM 566 N LEU 67 -1.486 9.117 2.833 1.00 .00 ATOM 568 CA LEU 67 -1.166 9.444 1.436 1.00 .00 ATOM 569 CB LEU 67 .270 9.049 1.105 1.00 .00 ATOM 570 CG LEU 67 1.250 10.213 1.276 1.00 .00 ATOM 571 CD1 LEU 67 .747 11.459 .554 1.00 .00 ATOM 572 CD2 LEU 67 1.569 10.541 2.731 1.00 .00 ATOM 573 C LEU 67 -2.132 8.814 .436 1.00 .00 ATOM 574 O LEU 67 -2.776 7.791 .700 1.00 .00 ATOM 575 N ALA 68 -2.191 9.443 -.726 1.00 .00 ATOM 577 CA ALA 68 -3.126 9.047 -1.783 1.00 .00 ATOM 578 CB ALA 68 -3.287 10.212 -2.752 1.00 .00 ATOM 579 C ALA 68 -2.722 7.792 -2.554 1.00 .00 ATOM 580 O ALA 68 -1.795 7.780 -3.376 1.00 .00 ATOM 581 N HIS 69 -3.404 6.714 -2.219 1.00 .00 ATOM 583 CA HIS 69 -3.293 5.473 -2.983 1.00 .00 ATOM 584 CB HIS 69 -2.854 4.364 -2.042 1.00 .00 ATOM 585 CG HIS 69 -1.614 4.752 -1.254 1.00 .00 ATOM 586 ND1 HIS 69 -1.474 4.714 .081 1.00 .00 ATOM 588 CE1 HIS 69 -.243 5.153 .414 1.00 .00 ATOM 589 NE2 HIS 69 .402 5.475 -.728 1.00 .00 ATOM 590 CD2 HIS 69 -.431 5.236 -1.765 1.00 .00 ATOM 591 C HIS 69 -4.642 5.205 -3.647 1.00 .00 ATOM 592 O HIS 69 -5.347 6.162 -3.976 1.00 .00 ATOM 593 N GLU 70 -4.999 3.956 -3.888 1.00 .00 ATOM 595 CA GLU 70 -6.301 3.735 -4.535 1.00 .00 ATOM 596 CB GLU 70 -6.267 2.458 -5.367 1.00 .00 ATOM 597 CG GLU 70 -7.440 2.414 -6.346 1.00 .00 ATOM 598 CD GLU 70 -7.376 3.604 -7.306 1.00 .00 ATOM 599 OE1 GLU 70 -6.271 3.943 -7.706 1.00 .00 ATOM 600 OE2 GLU 70 -8.434 4.065 -7.706 1.00 .00 ATOM 601 C GLU 70 -7.425 3.693 -3.500 1.00 .00 ATOM 602 O GLU 70 -7.921 4.750 -3.088 1.00 .00 ATOM 603 N LEU 71 -7.613 2.527 -2.896 1.00 .00 ATOM 605 CA LEU 71 -8.680 2.347 -1.899 1.00 .00 ATOM 606 CB LEU 71 -8.939 .858 -1.720 1.00 .00 ATOM 607 CG LEU 71 -9.476 .235 -3.002 1.00 .00 ATOM 608 CD1 LEU 71 -9.572 -1.281 -2.873 1.00 .00 ATOM 609 CD2 LEU 71 -10.829 .833 -3.379 1.00 .00 ATOM 610 C LEU 71 -8.302 2.969 -.561 1.00 .00 ATOM 611 O LEU 71 -9.168 3.423 .193 1.00 .00 ATOM 612 N ARG 72 -7.028 3.291 -.455 1.00 .00 ATOM 614 CA ARG 72 -6.489 3.995 .700 1.00 .00 ATOM 615 CB ARG 72 -5.014 3.642 .713 1.00 .00 ATOM 616 CG ARG 72 -4.898 2.123 .718 1.00 .00 ATOM 617 CD ARG 72 -3.548 1.623 .217 1.00 .00 ATOM 618 NE ARG 72 -3.665 .215 -.198 1.00 .00 ATOM 619 CZ ARG 72 -4.116 -.161 -1.399 1.00 .00 ATOM 620 NH1 ARG 72 -4.365 .751 -2.341 1.00 .00 ATOM 621 NH2 ARG 72 -4.247 -1.457 -1.686 1.00 .00 ATOM 622 C ARG 72 -6.724 5.511 .632 1.00 .00 ATOM 623 O ARG 72 -6.346 6.226 1.564 1.00 .00 ATOM 624 N SER 73 -7.341 5.993 -.440 1.00 .00 ATOM 626 CA SER 73 -7.801 7.382 -.478 1.00 .00 ATOM 627 CB SER 73 -7.518 7.974 -1.851 1.00 .00 ATOM 628 OG SER 73 -6.118 8.032 -2.018 1.00 .00 ATOM 629 C SER 73 -9.304 7.472 -.250 1.00 .00 ATOM 630 O SER 73 -9.779 8.383 .436 1.00 .00 ATOM 631 N ASP 74 -10.039 6.506 -.778 1.00 .00 ATOM 633 CA ASP 74 -11.506 6.579 -.702 1.00 .00 ATOM 634 CB ASP 74 -12.116 6.169 -2.042 1.00 .00 ATOM 635 CG ASP 74 -11.932 4.684 -2.349 1.00 .00 ATOM 636 OD1 ASP 74 -12.923 3.975 -2.253 1.00 .00 ATOM 637 OD2 ASP 74 -10.886 4.343 -2.884 1.00 .00 ATOM 638 C ASP 74 -12.108 5.752 .436 1.00 .00 ATOM 639 O ASP 74 -13.335 5.738 .594 1.00 .00 ATOM 640 N ASP 75 -11.264 5.074 1.200 1.00 .00 ATOM 642 CA ASP 75 -11.694 4.271 2.358 1.00 .00 ATOM 643 CB ASP 75 -12.546 3.089 1.895 1.00 .00 ATOM 644 CG ASP 75 -11.732 2.134 1.023 1.00 .00 ATOM 645 OD1 ASP 75 -11.785 2.282 -.191 1.00 .00 ATOM 646 OD2 ASP 75 -11.110 1.242 1.583 1.00 .00 ATOM 647 C ASP 75 -12.461 5.106 3.381 1.00 .00 ATOM 648 O ASP 75 -13.514 4.652 3.806 1.00 .00 ATOM 649 OXT ASP 75 -11.999 6.194 3.694 1.00 .00 TER END