@MOLECULE 8xkr.E 543 548 36 0 0 BIOPOLYMER USER_CHARGES @ATOM 1 N -18.5270 21.6464 29.1022 N.4 1 CYS6 1.0000 BACKBONE 2 H1 -17.6147 21.3056 29.3696 H 1 CYS6 0.0000 BACKBONE 3 H2 -19.0565 21.8769 29.9308 H 1 CYS6 0.0000 BACKBONE 4 H3 -18.4235 22.4712 28.5286 H 1 CYS6 0.0000 BACKBONE 5 CA -19.2285 20.6160 28.3488 C.3 1 CYS6 0.0000 BACKBONE 6 HA -19.3124 19.7520 29.0080 H 1 CYS6 0.0000 BACKBONE 7 C -18.4765 20.2339 27.1065 C.2 1 CYS6 0.0000 BACKBONE 8 O -18.5528 20.9328 26.0975 O.2 1 CYS6 0.0000 BACKBONE 9 CB -20.6204 21.0993 27.9253 C.3 1 CYS6 0.0000 10 HB2 -20.4919 21.7797 27.0836 H 1 CYS6 0.0000 11 HB3 -21.0526 21.6403 28.7672 H 1 CYS6 0.0000 12 SG -21.8105 19.8193 27.4230 S.3 1 CYS6 0.0000 13 N -17.7413 19.1331 27.1540 N.am 2 GLY7 0.0000 BACKBONE 14 H -17.6173 18.6277 28.0196 H 2 GLY7 0.0000 BACKBONE 15 CA -17.1192 18.6748 25.9257 C.3 2 GLY7 0.0000 BACKBONE 16 HA2 -17.7914 18.8599 25.0879 H 2 GLY7 0.0000 BACKBONE 17 HA3 -16.9158 17.6064 25.9991 H 2 GLY7 0.0000 BACKBONE 18 C -15.8241 19.4184 25.7043 C.2 2 GLY7 0.0000 BACKBONE 19 O -14.7729 18.8063 25.5193 O.2 2 GLY7 0.0000 BACKBONE 20 N -15.8905 20.7419 25.7367 N.am 3 ALA8 0.0000 BACKBONE 21 H -16.7776 21.1884 25.9205 H 3 ALA8 0.0000 BACKBONE 22 CA -14.7089 21.5660 25.5123 C.3 3 ALA8 0.0000 BACKBONE 23 HA -13.8641 20.9235 25.2638 H 3 ALA8 0.0000 BACKBONE 24 C -14.3926 22.3406 26.7840 C.2 3 ALA8 0.0000 BACKBONE 25 O -13.2299 22.4737 27.1828 O.2 3 ALA8 0.0000 BACKBONE 26 CB -14.9236 22.5162 24.3343 C.3 3 ALA8 0.0000 27 HB1 -15.7640 23.1764 24.5486 H 3 ALA8 0.0000 28 HB2 -15.1358 21.9379 23.4351 H 3 ALA8 0.0000 29 HB3 -14.0240 23.1118 24.1793 H 3 ALA8 0.0000 30 N -15.4319 22.8365 27.4520 N.am 4 GLU9 0.0000 BACKBONE 31 H -16.3422 22.9006 27.0190 H 4 GLU9 0.0000 BACKBONE 32 CA -15.2255 23.2826 28.8176 C.3 4 GLU9 0.0000 BACKBONE 33 HA -14.3753 23.9638 28.8532 H 4 GLU9 0.0000 BACKBONE 34 C -14.9133 22.0885 29.7017 C.2 4 GLU9 0.0000 BACKBONE 35 O -14.3117 22.2461 30.7653 O.2 4 GLU9 0.0000 BACKBONE 36 CB -16.4478 24.0554 29.3192 C.3 4 GLU9 0.0000 37 HB2 -17.2673 23.3469 29.4397 H 4 GLU9 0.0000 38 HB3 -16.7135 24.7928 28.5617 H 4 GLU9 0.0000 39 CG -16.2606 24.7893 30.6459 C.3 4 GLU9 0.0000 40 HG2 -16.9658 25.6195 30.6837 H 4 GLU9 0.0000 41 HG3 -15.2421 25.1756 30.6859 H 4 GLU9 0.0000 42 CD -16.4885 23.9101 31.8599 C.2 4 GLU9 0.0000 43 OE1 -17.5767 23.3072 31.9634 O.co2 4 GLU9 -0.5000 44 OE2 -15.5826 23.8295 32.7162 O.co2 4 GLU9 -0.5000 45 N -15.1718 20.8987 29.1722 N.am 5 LEU10 0.0000 BACKBONE 46 H -15.6574 20.8245 28.2897 H 5 LEU10 0.0000 BACKBONE 47 CA -14.7485 19.7146 29.8767 C.3 5 LEU10 0.0000 BACKBONE 48 HA -15.1032 19.6538 30.9056 H 5 LEU10 0.0000 BACKBONE 49 C -13.2381 19.8079 29.7656 C.2 5 LEU10 0.0000 BACKBONE 50 O -12.5260 19.6900 30.7626 O.2 5 LEU10 0.0000 BACKBONE 51 CB -15.2911 18.4578 29.2021 C.3 5 LEU10 0.0000 52 HB2 -15.6268 18.7747 28.2146 H 5 LEU10 0.0000 53 HB3 -16.1514 18.1516 29.7973 H 5 LEU10 0.0000 54 CG -14.4677 17.1779 28.9711 C.3 5 LEU10 0.0000 55 HG -15.2443 16.4211 28.8600 H 5 LEU10 0.0000 56 CD1 -13.6469 17.1737 27.6946 C.3 5 LEU10 0.0000 57 HD11 -12.8568 17.9209 27.7683 H 5 LEU10 0.0000 58 HD12 -14.2914 17.4086 26.8475 H 5 LEU10 0.0000 59 HD13 -13.2031 16.1885 27.5513 H 5 LEU10 0.0000 60 CD2 -13.5961 16.7825 30.1423 C.3 5 LEU10 0.0000 61 HD21 -12.8088 17.5244 30.2761 H 5 LEU10 0.0000 62 HD22 -13.1478 15.8079 29.9489 H 5 LEU10 0.0000 63 HD23 -14.2034 16.7302 31.0459 H 5 LEU10 0.0000 64 N -12.7443 20.0442 28.5481 N.am 6 VAL11 0.0000 BACKBONE 65 H -13.3697 20.1556 27.7629 H 6 VAL11 0.0000 BACKBONE 66 CA -11.3004 20.1419 28.3504 C.3 6 VAL11 0.0000 BACKBONE 67 HA -10.8495 19.1812 28.5994 H 6 VAL11 0.0000 BACKBONE 68 C -10.6903 21.1821 29.2840 C.2 6 VAL11 0.0000 BACKBONE 69 O -9.6270 20.9474 29.8671 O.2 6 VAL11 0.0000 BACKBONE 70 CB -10.9819 20.4464 26.8754 C.3 6 VAL11 0.0000 71 HB -11.6476 21.2409 26.5380 H 6 VAL11 0.0000 72 CG1 -9.5511 20.9347 26.7190 C.3 6 VAL11 0.0000 73 HG11 -8.8634 20.1566 27.0504 H 6 VAL11 0.0000 74 HG12 -9.4047 21.8302 27.3229 H 6 VAL11 0.0000 75 HG13 -9.3590 21.1674 25.6716 H 6 VAL11 0.0000 76 CG2 -11.2229 19.2136 26.0188 C.3 6 VAL11 0.0000 77 HG21 -10.5631 18.4098 26.3452 H 6 VAL11 0.0000 78 HG22 -11.0178 19.4508 24.9748 H 6 VAL11 0.0000 79 HG23 -12.2606 18.8965 26.1222 H 6 VAL11 0.0000 80 N -11.3392 22.3352 29.4459 N.am 7 ASP12 0.0000 BACKBONE 81 H -12.1820 22.5178 28.9202 H 7 ASP12 0.0000 BACKBONE 82 CA -10.8326 23.3356 30.3832 C.3 7 ASP12 0.0000 BACKBONE 83 HA -9.8080 23.5830 30.1057 H 7 ASP12 0.0000 BACKBONE 84 C -10.8060 22.7913 31.8077 C.2 7 ASP12 0.0000 BACKBONE 85 O -9.8131 22.9343 32.5360 O.2 7 ASP12 0.0000 BACKBONE 86 CB -11.6887 24.5977 30.3043 C.3 7 ASP12 0.0000 87 HB2 -11.4700 25.2227 31.1701 H 7 ASP12 0.0000 88 HB3 -12.7395 24.3085 30.3210 H 7 ASP12 0.0000 89 CG -11.4261 25.4013 29.0464 C.2 7 ASP12 0.0000 90 OD1 -11.0357 24.7966 28.0249 O.co2 7 ASP12 -0.5000 91 OD2 -11.6120 26.6364 29.0774 O.co2 7 ASP12 -0.5000 92 N -11.8961 22.1497 32.2201 N.am 8 ALA13 0.0000 BACKBONE 93 H -12.6795 22.0442 31.5914 H 8 ALA13 0.0000 BACKBONE 94 CA -11.9757 21.5978 33.5641 C.3 8 ALA13 0.0000 BACKBONE 95 HA -11.7572 22.3904 34.2797 H 8 ALA13 0.0000 BACKBONE 96 C -10.9447 20.4985 33.7599 C.2 8 ALA13 0.0000 BACKBONE 97 O -10.4496 20.2862 34.8694 O.2 8 ALA13 0.0000 BACKBONE 98 CB -13.3860 21.0720 33.8296 C.3 8 ALA13 0.0000 99 HB1 -13.6173 20.2778 33.1198 H 8 ALA13 0.0000 100 HB2 -14.1043 21.8837 33.7134 H 8 ALA13 0.0000 101 HB3 -13.4424 20.6797 34.8450 H 8 ALA13 0.0000 102 N -10.5999 19.7924 32.6868 N.am 9 LEU14 0.0000 BACKBONE 103 H -10.9993 20.0171 31.7867 H 9 LEU14 0.0000 BACKBONE 104 CA -9.6494 18.6976 32.8053 C.3 9 LEU14 0.0000 BACKBONE 105 HA -9.8329 18.1424 33.7252 H 9 LEU14 0.0000 BACKBONE 106 C -8.2443 19.2769 32.8510 C.2 9 LEU14 0.0000 BACKBONE 107 O -7.3407 18.6932 33.4507 O.2 9 LEU14 0.0000 BACKBONE 108 CB -9.8174 17.7085 31.6535 C.3 9 LEU14 0.0000 109 HB2 -9.4970 18.2070 30.7386 H 9 LEU14 0.0000 110 HB3 -10.8764 17.4608 31.5806 H 9 LEU14 0.0000 111 CG -9.0406 16.3994 31.7661 C.3 9 LEU14 0.0000 112 HG -8.0271 16.5576 31.3974 H 9 LEU14 0.0000 113 CD1 -8.9657 15.9532 33.2189 C.3 9 LEU14 0.0000 114 HD11 -9.9733 15.7910 33.6015 H 9 LEU14 0.0000 115 HD12 -8.4720 16.7240 33.8107 H 9 LEU14 0.0000 116 HD13 -8.3980 15.0250 33.2851 H 9 LEU14 0.0000 117 CD2 -9.7153 15.3280 30.9274 C.3 9 LEU14 0.0000 118 HD21 -10.7295 15.1660 31.2922 H 9 LEU14 0.0000 119 HD22 -9.1499 14.3990 31.0013 H 9 LEU14 0.0000 120 HD23 -9.7506 15.6499 29.8866 H 9 LEU14 0.0000 121 N -8.0549 20.4333 32.2256 N.am 10 GLN15 -0.7301 BACKBONE 122 H -8.7639 20.7894 31.6006 H 10 GLN15 0.3700 BACKBONE 123 CA -6.8309 21.1883 32.4375 C.3 10 GLN15 0.3611 BACKBONE 124 HA -5.9921 20.5357 32.1952 H 10 GLN15 0.0000 BACKBONE 125 C -6.6966 21.6207 33.8837 C.2 10 GLN15 0.5690 BACKBONE 126 O -5.5873 21.6206 34.4275 O.2 10 GLN15 -0.5700 BACKBONE 127 CB -6.7935 22.4154 31.5215 C.3 10 GLN15 0.0000 128 HB2 -7.6469 23.0472 31.7678 H 10 GLN15 0.0000 129 HB3 -6.8820 22.0708 30.4911 H 10 GLN15 0.0000 130 CG -5.5283 23.2649 31.6298 C.3 10 GLN15 0.0610 131 HG2 -5.5732 23.8371 32.5564 H 10 GLN15 0.0000 132 HG3 -5.4963 23.9488 30.7817 H 10 GLN15 0.0000 133 CD -4.2531 22.4392 31.6330 C.2 10 GLN15 0.5690 134 OE1 -3.6829 22.1508 32.6850 O.2 10 GLN15 -0.5700 135 NE2 -3.7976 22.0518 30.4466 N.am 10 GLN15 -0.8000 136 HE21 -2.9540 21.4998 30.3853 H 10 GLN15 0.3700 137 HE22 -4.2949 22.3093 29.6061 H 10 GLN15 0.3700 138 N -7.7870 21.9305 34.5466 N.am 11 PHE16 0.0000 BACKBONE 139 H -8.6905 21.9402 34.0953 H 11 PHE16 0.0000 BACKBONE 140 CA -7.6439 22.2565 35.9448 C.3 11 PHE16 0.0000 BACKBONE 141 HA -6.8011 22.9383 36.0585 H 11 PHE16 0.0000 BACKBONE 142 C -7.3713 21.0121 36.7582 C.2 11 PHE16 0.0000 BACKBONE 143 O -6.3541 20.9340 37.4359 O.2 11 PHE16 0.0000 BACKBONE 144 CB -8.9207 22.9261 36.4473 C.3 11 PHE16 0.0000 145 HB2 -9.6238 22.1477 36.7435 H 11 PHE16 0.0000 146 HB3 -9.3472 23.5097 35.6315 H 11 PHE16 0.0000 147 CG -8.7035 23.8356 37.6154 C.ar 11 PHE16 0.0000 148 CD1 -7.5134 24.5252 37.7589 C.ar 11 PHE16 0.0000 149 HD1 -6.7355 24.4072 37.0191 H 11 PHE16 0.0000 150 CD2 -9.6904 24.0057 38.5683 C.ar 11 PHE16 0.0000 151 HD2 -10.6267 23.4771 38.4673 H 11 PHE16 0.0000 152 CE1 -7.3085 25.3623 38.8366 C.ar 11 PHE16 0.0000 153 HE1 -6.3733 25.8927 38.9393 H 11 PHE16 0.0000 154 CE2 -9.4929 24.8431 39.6470 C.ar 11 PHE16 0.0000 155 HE2 -10.2719 24.9677 40.3845 H 11 PHE16 0.0000 156 CZ -8.2995 25.5207 39.7821 C.ar 11 PHE16 0.0000 157 HZ -8.1414 26.1743 40.6272 H 11 PHE16 0.0000 158 N -8.3012 20.0593 36.6701 N.am 12 VAL17 0.0000 BACKBONE 159 H -9.1001 20.2045 36.0694 H 12 VAL17 0.0000 BACKBONE 160 CA -8.1919 18.8117 37.4212 C.3 12 VAL17 0.0000 BACKBONE 161 HA -8.3714 19.0771 38.4631 H 12 VAL17 0.0000 BACKBONE 162 C -6.8267 18.1852 37.3177 C.2 12 VAL17 0.0000 BACKBONE 163 O -6.1165 18.0698 38.3158 O.2 12 VAL17 0.0000 BACKBONE 164 CB -9.2374 17.7842 36.9409 C.3 12 VAL17 0.0000 165 HB -9.1542 17.6873 35.8584 H 12 VAL17 0.0000 166 CG1 -8.9745 16.4218 37.5671 C.3 12 VAL17 0.0000 167 HG11 -9.0535 16.4990 38.6515 H 12 VAL17 0.0000 168 HG12 -7.9728 16.0859 37.2988 H 12 VAL17 0.0000 169 HG13 -9.7087 15.7051 37.1994 H 12 VAL17 0.0000 170 CG2 -10.6402 18.2604 37.2786 C.3 12 VAL17 0.0000 171 HG21 -10.7390 18.3622 38.3593 H 12 VAL17 0.0000 172 HG22 -11.3677 17.5353 36.9140 H 12 VAL17 0.0000 173 HG23 -10.8202 19.2254 36.8048 H 12 VAL17 0.0000 174 N -6.4565 17.7805 36.1145 N.am 13 CYS18 0.0000 BACKBONE 175 H -7.0576 17.9480 35.3204 H 13 CYS18 0.0000 BACKBONE 176 CA -5.1887 17.0958 35.9303 C.3 13 CYS18 0.0000 BACKBONE 177 HA -5.3638 16.0625 36.2297 H 13 CYS18 0.0000 BACKBONE 178 C -4.0596 17.6112 36.8040 C.2 13 CYS18 0.0000 BACKBONE 179 O -3.5744 16.8963 37.6791 O.2 13 CYS18 0.0000 BACKBONE 180 CB -4.7667 17.2028 34.4781 C.3 13 CYS18 0.0000 181 HB2 -4.0467 18.0141 34.3709 H 13 CYS18 0.0000 182 HB3 -5.6423 17.4104 33.8629 H 13 CYS18 0.0000 183 SG -4.0159 15.6710 33.9399 S.3 13 CYS18 0.0000 184 N -3.6289 18.8414 36.5641 N.am 14 GLY19 -0.7301 BACKBONE 185 H -4.0859 19.4066 35.8629 H 14 GLY19 0.3700 BACKBONE 186 CA -2.5031 19.3794 37.3053 C.3 14 GLY19 0.3611 BACKBONE 187 HA2 -2.0355 18.5890 37.8925 H 14 GLY19 0.0000 BACKBONE 188 HA3 -2.8436 20.1731 37.9702 H 14 GLY19 0.0000 BACKBONE 189 C -1.5108 19.9344 36.3116 C.2 14 GLY19 0.5690 BACKBONE 190 O -1.3767 21.1510 36.1881 O.2 14 GLY19 -0.5700 BACKBONE 191 N -0.8169 19.0590 35.5909 N.am 15 ASP20 -0.7301 BACKBONE 192 H -0.9115 18.0681 35.7621 H 15 ASP20 0.3700 BACKBONE 193 CA 0.0821 19.5442 34.5510 C.3 15 ASP20 0.3611 BACKBONE 194 HA -0.3292 20.4737 34.1572 H 15 ASP20 0.0000 BACKBONE 195 C 0.1862 18.5538 33.3980 C.2 15 ASP20 0.5690 BACKBONE 196 O 1.1404 18.6013 32.6171 O.2 15 ASP20 -0.5700 BACKBONE 197 CB 1.4657 19.8114 35.1402 C.3 15 ASP20 -0.1060 198 HB2 1.3916 20.6383 35.8465 H 15 ASP20 0.0000 199 HB3 2.1437 20.0841 34.3315 H 15 ASP20 0.0000 200 CG 2.0307 18.6029 35.8628 C.2 15 ASP20 0.9060 201 OD1 1.2823 17.6236 36.0606 O.co2 15 ASP20 -0.9000 202 OD2 3.2243 18.6329 36.2333 O.co2 15 ASP20 -0.9000 203 N -0.7873 17.6544 33.2850 N.am 16 ARG21 -0.7301 BACKBONE 204 H -1.6026 17.7334 33.8758 H 16 ARG21 0.3700 BACKBONE 205 CA -0.7049 16.5567 32.3281 C.3 16 ARG21 0.3611 BACKBONE 206 HA 0.0457 16.8081 31.5788 H 16 ARG21 0.0000 BACKBONE 207 C -2.0089 16.3595 31.5617 C.2 16 ARG21 0.4490 BACKBONE 208 H -2.4886 17.2080 31.0966 H 16 ARG21 0.0600 BACKBONE 209 O -2.5224 15.2399 31.4673 O.2 16 ARG21 -0.5700 BACKBONE 210 CB -0.2729 15.2801 33.0542 C.3 16 ARG21 0.0000 211 HB2 0.7304 15.4385 33.4496 H 16 ARG21 0.0000 212 HB3 -0.2532 14.4677 32.3278 H 16 ARG21 0.0000 213 CG -1.1711 14.8638 34.2020 C.3 16 ARG21 0.0000 214 HG2 -2.2112 14.9675 33.8931 H 16 ARG21 0.0000 215 HG3 -0.9790 15.5140 35.0555 H 16 ARG21 0.0000 216 CD -0.9206 13.4265 34.6122 C.3 16 ARG21 0.3276 217 HD2 -1.4964 12.7684 33.9615 H 16 ARG21 0.0000 218 HD3 -1.2456 13.2924 35.6440 H 16 ARG21 0.0000 219 NE 0.4904 13.0727 34.5120 N.pl3 16 ARG21 -0.8443 220 HE 1.1530 13.8176 34.3496 H 16 ARG21 0.4500 221 CZ 0.9614 11.8379 34.6199 C.cat 16 ARG21 1.2000 222 NH1 0.1588 10.8081 34.8311 N.pl3 16 ARG21 -0.9667 223 HH12 -0.8371 10.9531 34.9158 H 16 ARG21 0.4500 224 HH11 0.5418 9.8767 34.9077 H 16 ARG21 0.4500 225 NH2 2.2704 11.6314 34.5105 N.pl3 16 ARG21 -0.9667 226 HH21 2.6423 10.6956 34.5888 H 16 ARG21 0.4500 227 HH22 2.8928 12.4103 34.3492 H 16 ARG21 0.4500 228 N -16.0305 15.8313 26.2026 N.4 17 VAL44 1.0000 BACKBONE 229 H1 -16.6419 16.4349 26.7336 H 17 VAL44 0.0000 BACKBONE 230 H2 -15.0738 16.1323 26.3216 H 17 VAL44 0.0000 BACKBONE 231 H3 -16.1277 14.8810 26.5305 H 17 VAL44 0.0000 BACKBONE 232 CA -16.3886 15.8972 24.7910 C.3 17 VAL44 0.0000 BACKBONE 233 HA -16.2513 16.9174 24.4327 H 17 VAL44 0.0000 BACKBONE 234 C -17.8542 15.5167 24.6155 C.2 17 VAL44 0.0000 BACKBONE 235 O -18.5991 15.4870 25.5967 O.2 17 VAL44 0.0000 BACKBONE 236 CB -15.4688 14.9831 23.9559 C.3 17 VAL44 0.0000 237 HB -14.4548 15.0878 24.3419 H 17 VAL44 0.0000 238 CG1 -15.8540 13.5196 24.1142 C.3 17 VAL44 0.0000 239 HG11 -16.8661 13.3676 23.7391 H 17 VAL44 0.0000 240 HG12 -15.8120 13.2447 25.1682 H 17 VAL44 0.0000 241 HG13 -15.1598 12.8980 23.5487 H 17 VAL44 0.0000 242 CG2 -15.4274 15.4158 22.4968 C.3 17 VAL44 0.0000 243 HG21 -16.4238 15.3285 22.0635 H 17 VAL44 0.0000 244 HG22 -14.7354 14.7771 21.9479 H 17 VAL44 0.0000 245 HG23 -15.0934 16.4514 22.4342 H 17 VAL44 0.0000 246 N -18.2898 15.2608 23.3825 N.am 18 ASP45 0.0000 BACKBONE 247 H -17.6760 15.3865 22.5904 H 18 ASP45 0.0000 BACKBONE 248 CA -19.6565 14.7986 23.1845 C.3 18 ASP45 0.0000 BACKBONE 249 HA -20.3149 15.6348 23.4199 H 18 ASP45 0.0000 BACKBONE 250 C -20.0223 13.6549 24.1169 C.2 18 ASP45 0.0000 BACKBONE 251 O -21.1866 13.2497 24.1469 O.2 18 ASP45 0.0000 BACKBONE 252 CB -19.8638 14.3712 21.7310 C.3 18 ASP45 0.0000 253 HB2 -20.0064 15.2637 21.1217 H 18 ASP45 0.0000 254 HB3 -20.7553 13.7466 21.6746 H 18 ASP45 0.0000 255 CG -18.6892 13.5906 21.1798 C.2 18 ASP45 0.0000 256 OD1 -18.1719 12.7120 21.8990 O.co2 18 ASP45 -0.5000 257 OD2 -18.2783 13.8601 20.0303 O.co2 18 ASP45 -0.5000 258 N -19.0570 13.1127 24.8532 N.am 19 GLU46 0.0000 BACKBONE 259 H -18.1028 13.4106 24.7084 H 19 GLU46 0.0000 BACKBONE 260 CA -19.3368 12.1027 25.8610 C.3 19 GLU46 0.0000 BACKBONE 261 HA -20.2517 11.5789 25.5840 H 19 GLU46 0.0000 BACKBONE 262 C -19.5852 12.7279 27.2304 C.2 19 GLU46 0.0000 BACKBONE 263 O -20.6296 12.4872 27.8518 O.2 19 GLU46 0.0000 BACKBONE 264 CB -18.1803 11.0975 25.9115 C.3 19 GLU46 0.0000 265 HB2 -17.2561 11.6347 25.6985 H 19 GLU46 0.0000 266 HB3 -18.3507 10.3473 25.1393 H 19 GLU46 0.0000 267 CG -18.0120 10.3801 27.2339 C.3 19 GLU46 0.0000 268 HG2 -17.7747 9.3342 27.0390 H 19 GLU46 0.0000 269 HG3 -18.9476 10.4428 27.7897 H 19 GLU46 0.0000 270 CD -16.9089 10.9823 28.0682 C.2 19 GLU46 0.0000 271 OE1 -15.7939 11.1462 27.5325 O.co2 19 GLU46 -0.5000 272 OE2 -17.1554 11.3043 29.2493 O.co2 19 GLU46 -0.5000 273 N -18.6395 13.5378 27.6931 N.am 20 CYS47 0.0000 BACKBONE 274 H -17.8102 13.7109 27.1433 H 20 CYS47 0.0000 BACKBONE 275 CA -18.7971 14.1747 28.9895 C.3 20 CYS47 0.0000 BACKBONE 276 HA -18.9420 13.3892 29.7312 H 20 CYS47 0.0000 BACKBONE 277 C -20.0089 15.0862 28.9780 C.2 20 CYS47 0.0000 BACKBONE 278 O -20.8735 14.9751 29.8413 O.2 20 CYS47 0.0000 BACKBONE 279 CB -17.5465 14.9671 29.3845 C.3 20 CYS47 0.0000 280 HB2 -17.2490 15.5853 28.5375 H 20 CYS47 0.0000 281 HB3 -16.7498 14.2601 29.6159 H 20 CYS47 0.0000 282 SG -17.7911 16.0460 30.8235 S.3 20 CYS47 0.0000 283 N -20.0908 15.8707 27.9089 N.am 21 CYS48 0.0000 BACKBONE 284 H -19.3362 15.8726 27.2376 H 21 CYS48 0.0000 BACKBONE 285 CA -21.2320 16.7171 27.6886 C.3 21 CYS48 0.0000 BACKBONE 286 HA -21.1947 17.5619 28.3763 H 21 CYS48 0.0000 BACKBONE 287 C -22.5033 15.9625 27.8760 C.2 21 CYS48 0.0000 BACKBONE 288 O -23.2998 16.2693 28.7611 O.2 21 CYS48 0.0000 BACKBONE 289 CB -21.1984 17.0955 26.2123 C.3 21 CYS48 0.0000 290 HB2 -22.1400 16.7736 25.7674 H 21 CYS48 0.0000 291 HB3 -20.3740 16.5520 25.7507 H 21 CYS48 0.0000 292 SG -20.9838 18.8342 25.8311 S.3 21 CYS48 0.0000 293 N -22.7035 14.9546 27.0375 N.am 22 PHE49 0.0000 BACKBONE 294 H -21.9807 14.6921 26.3828 H 22 PHE49 0.0000 BACKBONE 295 CA -23.9640 14.2261 27.0597 C.3 22 PHE49 0.0000 BACKBONE 296 HA -24.7329 14.9855 26.9172 H 22 PHE49 0.0000 BACKBONE 297 C -24.2803 13.5378 28.3715 C.2 22 PHE49 0.0000 BACKBONE 298 O -25.4450 13.4671 28.7590 O.2 22 PHE49 0.0000 BACKBONE 299 CB -23.9839 13.1807 25.9381 C.3 22 PHE49 0.0000 300 HB2 -24.8983 12.5949 26.0318 H 22 PHE49 0.0000 301 HB3 -23.1199 12.5279 26.0625 H 22 PHE49 0.0000 302 CG -23.9379 13.7676 24.5538 C.ar 22 PHE49 0.0000 303 CD1 -23.7208 15.1221 24.3586 C.ar 22 PHE49 0.0000 304 HD1 -23.5912 15.7691 25.2136 H 22 PHE49 0.0000 305 CD2 -24.1016 12.9574 23.4442 C.ar 22 PHE49 0.0000 306 HD2 -24.2718 11.8992 23.5772 H 22 PHE49 0.0000 307 CE1 -23.6678 15.6561 23.0877 C.ar 22 PHE49 0.0000 308 HE1 -23.4955 16.7136 22.9519 H 22 PHE49 0.0000 309 CE2 -24.0503 13.4847 22.1690 C.ar 22 PHE49 0.0000 310 HE2 -24.1782 12.8401 21.3120 H 22 PHE49 0.0000 311 CZ -23.8353 14.8368 21.9907 C.ar 22 PHE49 0.0000 312 HZ -23.7983 15.2521 20.9944 H 22 PHE49 0.0000 313 N -23.2738 13.0246 29.0672 N.am 23 ARG50 0.0000 BACKBONE 314 H -22.3146 13.1554 28.7792 H 23 ARG50 0.0000 BACKBONE 315 CA -23.6104 12.2636 30.2656 C.3 23 ARG50 0.0000 BACKBONE 316 HA -24.6914 12.3386 30.3841 H 23 ARG50 0.0000 BACKBONE 317 C -23.0120 12.8429 31.5476 C.2 23 ARG50 0.0000 BACKBONE 318 O -22.9239 12.1349 32.5572 O.2 23 ARG50 0.0000 BACKBONE 319 CB -23.2249 10.7900 30.0924 C.3 23 ARG50 0.0000 320 HB2 -23.4358 10.5111 29.0600 H 23 ARG50 0.0000 321 HB3 -23.8518 10.2022 30.7629 H 23 ARG50 0.0000 322 CG -21.7777 10.4327 30.3811 C.3 23 ARG50 0.0000 323 HG2 -21.6752 10.1632 31.4323 H 23 ARG50 0.0000 324 HG3 -21.1433 11.2918 30.1628 H 23 ARG50 0.0000 325 CD -21.3501 9.2587 29.5165 C.3 23 ARG50 0.0000 326 HD2 -22.1723 8.5443 29.4748 H 23 ARG50 0.0000 327 HD3 -20.4829 8.7879 29.9796 H 23 ARG50 0.0000 328 NE -20.9972 9.6339 28.1543 N.pl3 23 ARG50 0.0000 329 HE -20.6054 10.5520 28.0000 H 23 ARG50 0.0000 330 CZ -21.1605 8.8399 27.1046 C.cat 23 ARG50 1.0000 331 NH1 -21.6836 7.6317 27.2273 N.pl3 23 ARG50 0.0000 332 HH11 -21.8016 7.0474 26.4120 H 23 ARG50 0.0000 333 HH12 -21.9651 7.2932 28.1363 H 23 ARG50 0.0000 334 NH2 -20.7962 9.2680 25.9007 N.pl3 23 ARG50 0.0000 335 HH21 -20.9202 8.6727 25.0942 H 23 ARG50 0.0000 336 HH22 -20.3953 10.1886 25.7920 H 23 ARG50 0.0000 337 N -22.6502 14.1256 31.5448 N.am 24 SER51 0.0000 BACKBONE 338 H -22.6723 14.6305 30.6704 H 24 SER51 0.0000 BACKBONE 339 CA -22.2218 14.8367 32.7517 C.3 24 SER51 0.0000 BACKBONE 340 HA -21.8160 15.8013 32.4468 H 24 SER51 0.0000 BACKBONE 341 C -21.1145 14.0705 33.4755 C.2 24 SER51 0.0000 BACKBONE 342 O -21.2769 13.5905 34.5987 O.2 24 SER51 0.0000 BACKBONE 343 CB -23.4071 15.0979 33.6820 C.3 24 SER51 0.0000 344 HB2 -24.2501 15.4586 33.0927 H 24 SER51 0.0000 345 HB3 -23.1256 15.8545 34.4144 H 24 SER51 0.0000 346 OG -23.7886 13.9149 34.3610 O.3 24 SER51 0.0000 347 HG -24.0315 13.2649 33.6975 H 24 SER51 0.0000 348 N -19.9783 13.9565 32.7902 N.am 25 CYS52 0.0000 BACKBONE 349 H -19.9014 14.4477 31.9110 H 25 CYS52 0.0000 BACKBONE 350 CA -18.8384 13.1629 33.2365 C.3 25 CYS52 0.0000 BACKBONE 351 HA -19.1527 12.1194 33.2174 H 25 CYS52 0.0000 BACKBONE 352 C -18.4150 13.4659 34.6701 C.2 25 CYS52 0.0000 BACKBONE 353 O -18.6471 14.5659 35.1808 O.2 25 CYS52 0.0000 BACKBONE 354 CB -17.6584 13.3901 32.2927 C.3 25 CYS52 0.0000 355 HB2 -17.9957 13.2233 31.2697 H 25 CYS52 0.0000 356 HB3 -16.8750 12.6732 32.5384 H 25 CYS52 0.0000 357 SG -16.9695 15.0542 32.4056 S.3 25 CYS52 0.0000 358 N -17.7917 12.4882 35.3184 N.am 26 ASP53 0.0000 BACKBONE 359 H -17.6492 11.6122 34.8363 H 26 ASP53 0.0000 BACKBONE 360 CA -17.3027 12.6075 36.6827 C.3 26 ASP53 0.0000 BACKBONE 361 HA -17.8483 13.4137 37.1732 H 26 ASP53 0.0000 BACKBONE 362 C -15.8169 12.9443 36.6863 C.2 26 ASP53 0.0000 BACKBONE 363 O -15.1006 12.7157 35.7098 O.2 26 ASP53 0.0000 BACKBONE 364 CB -17.5454 11.3071 37.4541 C.3 26 ASP53 0.0000 365 HB2 -16.8627 10.5457 37.0768 H 26 ASP53 0.0000 366 HB3 -18.5740 10.9887 37.2852 H 26 ASP53 0.0000 367 CG -17.3242 11.4595 38.9458 C.2 26 ASP53 0.0000 368 OD1 -16.1580 11.3841 39.3855 O.co2 26 ASP53 -0.5000 369 OD2 -18.3166 11.6371 39.6822 O.co2 26 ASP53 -0.5000 370 N -15.3576 13.4988 37.8120 N.am 27 LEU54 0.0000 BACKBONE 371 H -15.9993 13.7318 38.5563 H 27 LEU54 0.0000 BACKBONE 372 CA -13.9335 13.7686 37.9700 C.3 27 LEU54 0.0000 BACKBONE 373 HA -13.5938 14.3725 37.1286 H 27 LEU54 0.0000 BACKBONE 374 C -13.1257 12.4777 37.9507 C.2 27 LEU54 0.0000 BACKBONE 375 O -11.9789 12.4712 37.4883 O.2 27 LEU54 0.0000 BACKBONE 376 CB -13.6969 14.5564 39.2644 C.3 27 LEU54 0.0000 377 HB2 -13.9066 13.8588 40.0751 H 27 LEU54 0.0000 378 HB3 -14.4439 15.3501 39.2656 H 27 LEU54 0.0000 379 CG -12.3679 15.2376 39.6371 C.3 27 LEU54 0.0000 380 HG -12.0894 15.8537 38.7822 H 27 LEU54 0.0000 381 CD1 -12.5784 16.0583 40.8953 C.3 27 LEU54 0.0000 382 HD11 -12.8540 15.3982 41.7177 H 27 LEU54 0.0000 383 HD12 -13.3757 16.7823 40.7277 H 27 LEU54 0.0000 384 HD13 -11.6567 16.5840 41.1446 H 27 LEU54 0.0000 385 CD2 -11.2078 14.2788 39.8656 C.3 27 LEU54 0.0000 386 HD21 -11.4319 13.6332 40.7147 H 27 LEU54 0.0000 387 HD22 -10.3012 14.8479 40.0711 H 27 LEU54 0.0000 388 HD23 -11.0597 13.6689 38.9744 H 27 LEU54 0.0000 389 N -13.7089 11.3722 38.4195 N.am 28 ARG55 0.0000 BACKBONE 390 H -14.6523 11.4191 38.7772 H 28 ARG55 0.0000 BACKBONE 391 CA -13.0004 10.0981 38.4211 C.3 28 ARG55 0.0000 BACKBONE 392 HA -12.0518 10.2601 38.9329 H 28 ARG55 0.0000 BACKBONE 393 C -12.6739 9.6093 37.0169 C.2 28 ARG55 0.0000 BACKBONE 394 O -11.8390 8.7108 36.8695 O.2 28 ARG55 0.0000 BACKBONE 395 CB -13.8160 9.0418 39.1704 C.3 28 ARG55 0.0000 396 HB2 -14.5292 9.5587 39.8124 H 28 ARG55 0.0000 397 HB3 -13.1300 8.4589 39.7850 H 28 ARG55 0.0000 398 CG -14.5905 8.0785 38.2866 C.3 28 ARG55 0.0000 399 HG2 -13.8938 7.5444 37.6405 H 28 ARG55 0.0000 400 HG3 -15.2957 8.6406 37.6743 H 28 ARG55 0.0000 401 CD -15.3536 7.0764 39.1369 C.3 28 ARG55 0.0000 402 HD2 -15.9453 7.6216 39.8722 H 28 ARG55 0.0000 403 HD3 -14.6361 6.4364 39.6503 H 28 ARG55 0.0000 404 NE -16.2472 6.2371 38.3484 N.pl3 28 ARG55 0.0000 405 HE -17.0923 6.6561 37.9874 H 28 ARG55 0.0000 406 CZ -16.0229 4.9592 38.0739 C.cat 28 ARG55 1.0000 407 NH1 -14.9390 4.3386 38.5107 N.pl3 28 ARG55 0.0000 408 HH11 -14.7926 3.3636 38.2916 H 28 ARG55 0.0000 409 HH12 -14.2582 4.8398 39.0632 H 28 ARG55 0.0000 410 NH2 -16.9104 4.2858 37.3475 N.pl3 28 ARG55 0.0000 411 HH21 -16.7534 3.3111 37.1346 H 28 ARG55 0.0000 412 HH22 -17.7414 4.7492 37.0087 H 28 ARG55 0.0000 413 N -13.3058 10.1776 35.9909 N.am 29 ARG56 0.0000 BACKBONE 414 H -14.0310 10.8519 36.1896 H 29 ARG56 0.0000 BACKBONE 415 CA -13.0052 9.8772 34.5968 C.3 29 ARG56 0.0000 BACKBONE 416 HA -12.4957 8.9141 34.5641 H 29 ARG56 0.0000 BACKBONE 417 C -12.0609 10.9006 33.9772 C.2 29 ARG56 0.0000 BACKBONE 418 O -11.0936 10.5343 33.2998 O.2 29 ARG56 0.0000 BACKBONE 419 CB -14.3106 9.8021 33.7971 C.3 29 ARG56 0.0000 420 HB2 -14.1810 9.0868 32.9849 H 29 ARG56 0.0000 421 HB3 -14.5226 10.7878 33.3828 H 29 ARG56 0.0000 422 CG -15.4945 9.3663 34.6438 C.3 29 ARG56 0.0000 423 HG2 -15.5476 10.0048 35.5256 H 29 ARG56 0.0000 424 HG3 -15.3417 8.3322 34.9527 H 29 ARG56 0.0000 425 CD -16.8087 9.4609 33.8952 C.3 29 ARG56 0.0000 426 HD2 -16.7213 10.2212 33.1191 H 29 ARG56 0.0000 427 HD3 -17.5959 9.7440 34.5941 H 29 ARG56 0.0000 428 NE -17.1587 8.1879 33.2758 N.pl3 29 ARG56 0.0000 429 HE -16.4071 7.5520 33.0504 H 29 ARG56 0.0000 430 CZ -18.3952 7.8085 32.9885 C.cat 29 ARG56 1.0000 431 NH1 -19.4358 8.5782 33.2621 N.pl3 29 ARG56 0.0000 432 HH11 -20.3691 8.2643 33.0373 H 29 ARG56 0.0000 433 HH12 -19.2970 9.4796 33.6959 H 29 ARG56 0.0000 434 NH2 -18.5941 6.6246 32.4175 N.pl3 29 ARG56 0.0000 435 HH21 -19.5320 6.3213 32.1972 H 29 ARG56 0.0000 436 HH22 -17.8074 6.0283 32.2039 H 29 ARG56 0.0000 437 N -12.3133 12.1900 34.2048 N.am 30 LEU57 0.0000 BACKBONE 438 H -13.1328 12.4587 34.7305 H 30 LEU57 0.0000 BACKBONE 439 CA -11.4082 13.2111 33.6960 C.3 30 LEU57 0.0000 BACKBONE 440 HA -11.2720 13.0090 32.6336 H 30 LEU57 0.0000 BACKBONE 441 C -10.0404 13.1532 34.3566 C.2 30 LEU57 0.0000 BACKBONE 442 O -9.0987 13.7722 33.8534 O.2 30 LEU57 0.0000 BACKBONE 443 CB -12.0098 14.6014 33.8790 C.3 30 LEU57 0.0000 444 HB2 -11.3896 15.3065 33.3255 H 30 LEU57 0.0000 445 HB3 -11.9729 14.8414 34.9416 H 30 LEU57 0.0000 446 CG -13.4506 14.7844 33.4117 C.3 30 LEU57 0.0000 447 HG -14.1244 14.2968 34.1163 H 30 LEU57 0.0000 448 CD1 -13.7878 16.2633 33.3598 C.3 30 LEU57 0.0000 449 HD11 -13.1206 16.7636 32.6579 H 30 LEU57 0.0000 450 HD12 -13.6650 16.6990 34.3513 H 30 LEU57 0.0000 451 HD13 -14.8199 16.3894 33.0327 H 30 LEU57 0.0000 452 CD2 -13.6370 14.1464 32.0495 C.3 30 LEU57 0.0000 453 HD21 -12.9697 14.6224 31.3309 H 30 LEU57 0.0000 454 HD22 -14.6701 14.2748 31.7264 H 30 LEU57 0.0000 455 HD23 -13.4052 13.0831 32.1114 H 30 LEU57 0.0000 456 N -9.9078 12.4326 35.4716 N.am 31 GLU58 0.0000 BACKBONE 457 H -10.7058 11.9521 35.8621 H 31 GLU58 0.0000 BACKBONE 458 CA -8.6090 12.3409 36.1240 C.3 31 GLU58 0.0000 BACKBONE 459 HA -8.1869 13.3446 36.1748 H 31 GLU58 0.0000 BACKBONE 460 C -7.6342 11.4859 35.3235 C.2 31 GLU58 0.0000 BACKBONE 461 O -6.4356 11.7846 35.2951 O.2 31 GLU58 0.0000 BACKBONE 462 CB -8.7700 11.8032 37.5465 C.3 31 GLU58 0.0000 463 HB2 -9.5178 12.4119 38.0547 H 31 GLU58 0.0000 464 HB3 -7.8117 11.9046 38.0560 H 31 GLU58 0.0000 465 CG -9.2012 10.3532 37.6424 C.3 31 GLU58 0.0000 466 HG2 -8.3533 9.7173 37.3878 H 31 GLU58 0.0000 467 HG3 -10.0109 10.1802 36.9335 H 31 GLU58 0.0000 468 CD -9.6825 9.9908 39.0293 C.2 31 GLU58 0.0000 469 OE1 -9.6072 10.8559 39.9270 O.co2 31 GLU58 -0.5000 470 OE2 -10.1329 8.8425 39.2253 O.co2 31 GLU58 -0.5000 471 N -8.1166 10.4283 34.6645 N.am 32 MET59 0.0000 BACKBONE 472 H -9.0924 10.1833 34.7532 H 32 MET59 0.0000 BACKBONE 473 CA -7.2431 9.6274 33.8194 C.3 32 MET59 0.0000 BACKBONE 474 HA -6.2187 9.8626 34.1083 H 32 MET59 0.0000 BACKBONE 475 C -7.3687 9.9794 32.3465 C.2 32 MET59 0.0000 BACKBONE 476 O -6.4590 9.6619 31.5721 O.2 32 MET59 0.0000 BACKBONE 477 CB -7.4906 8.1219 34.0522 C.3 32 MET59 0.0000 478 HB2 -7.2203 7.9150 35.0877 H 32 MET59 0.0000 479 HB3 -6.8151 7.5852 33.3861 H 32 MET59 0.0000 480 CG -8.9012 7.5277 33.8315 C.3 32 MET59 0.0000 481 HG2 -9.4764 7.7799 34.7224 H 32 MET59 0.0000 482 HG3 -8.7673 6.4472 33.7793 H 32 MET59 0.0000 483 SD -9.9446 7.9695 32.4227 S.3 32 MET59 0.0000 484 CE -8.9233 7.4825 31.0300 C.3 32 MET59 0.0000 485 HE1 -9.4489 7.7007 30.1003 H 32 MET59 0.0000 486 HE2 -8.7155 6.4141 31.0878 H 32 MET59 0.0000 487 HE3 -7.9853 8.0370 31.0558 H 32 MET59 0.0000 488 N -8.4658 10.6226 31.9391 N.am 33 TYR60 0.0000 BACKBONE 489 H -9.2418 10.7556 32.5718 H 33 TYR60 0.0000 BACKBONE 490 CA -8.5355 11.1318 30.5744 C.3 33 TYR60 0.0000 BACKBONE 491 HA -8.2565 10.3236 29.8984 H 33 TYR60 0.0000 BACKBONE 492 C -7.5546 12.2769 30.3570 C.2 33 TYR60 0.0000 BACKBONE 493 O -6.9824 12.4045 29.2687 O.2 33 TYR60 0.0000 BACKBONE 494 CB -9.9603 11.5816 30.2530 C.3 33 TYR60 0.0000 495 HB2 -10.2644 12.3121 31.0027 H 33 TYR60 0.0000 496 HB3 -10.6133 10.7106 30.3086 H 33 TYR60 0.0000 497 CG -10.1249 12.2094 28.8871 C.ar 33 TYR60 0.0000 498 CD1 -10.3628 11.4225 27.7677 C.ar 33 TYR60 0.0000 499 HD1 -10.4241 10.3497 27.8765 H 33 TYR60 0.0000 500 CD2 -10.0563 13.5861 28.7165 C.ar 33 TYR60 0.0000 501 HD2 -9.8747 14.2189 29.5726 H 33 TYR60 0.0000 502 CE1 -10.5222 11.9879 26.5178 C.ar 33 TYR60 0.0000 503 HE1 -10.7054 11.3612 25.6575 H 33 TYR60 0.0000 504 CE2 -10.2165 14.1587 27.4712 C.ar 33 TYR60 0.0000 505 HE2 -10.1621 15.2312 27.3560 H 33 TYR60 0.0000 506 CZ -10.4462 13.3554 26.3749 C.ar 33 TYR60 0.0000 507 OH -10.6047 13.9198 25.1299 O.3 33 TYR60 0.0000 508 HH -10.5419 14.8775 25.1077 H 33 TYR60 0.0000 509 N -7.3252 13.1175 31.3320 N.am 34 CYS61 0.0000 BACKBONE 510 H -7.7715 13.0325 32.2341 H 34 CYS61 0.0000 BACKBONE 511 CA -6.3907 14.1750 31.0309 C.3 34 CYS61 0.0000 BACKBONE 512 HA -6.7486 14.6676 30.1268 H 34 CYS61 0.0000 BACKBONE 513 C -5.0163 13.6317 30.8340 C.2 34 CYS61 0.0000 BACKBONE 514 O -4.3541 13.9519 29.8507 O.2 34 CYS61 0.0000 BACKBONE 515 CB -6.3008 15.1211 32.1736 C.3 34 CYS61 0.0000 516 HB2 -7.3083 15.4565 32.4201 H 34 CYS61 0.0000 517 HB3 -5.6991 15.9755 31.8638 H 34 CYS61 0.0000 518 SG -5.5687 14.4244 33.6412 S.3 34 CYS61 0.0000 519 N -4.5789 12.7925 31.7601 N.am 35 ALA62 0.0000 BACKBONE 520 H -5.1919 12.4662 32.4935 H 35 ALA62 0.0000 BACKBONE 521 CA -3.1924 12.3513 31.6957 C.3 35 ALA62 0.0000 BACKBONE 522 HA -2.5439 13.2167 31.8329 H 35 ALA62 0.0000 BACKBONE 523 C -2.8970 11.7339 30.3354 C.2 35 ALA62 0.0000 BACKBONE 524 O -3.5781 10.7805 29.9368 O.2 35 ALA62 0.0000 BACKBONE 525 CB -2.9068 11.3463 32.8062 C.3 35 ALA62 0.0000 526 HB1 -3.5492 10.4746 32.6812 H 35 ALA62 0.0000 527 HB2 -3.1047 11.8078 33.7736 H 35 ALA62 0.0000 528 HB3 -1.8625 11.0380 32.7575 H 35 ALA62 0.0000 529 N -1.9057 12.2389 29.5896 N.am 36 PRO63 -0.6602 BACKBONE 530 CA -1.4967 11.6633 28.3055 C.3 36 PRO63 0.3611 BACKBONE 531 HA -2.3491 11.3275 27.7149 H 36 PRO63 0.0000 BACKBONE 532 C -0.6306 10.4200 28.4726 C.2 36 PRO63 0.4490 BACKBONE 533 H 0.1206 10.1730 27.7370 H 36 PRO63 0.0600 BACKBONE 534 O -0.7996 9.7018 29.4576 O.2 36 PRO63 -0.5700 BACKBONE 535 CB -0.7030 12.7965 27.6542 C.3 36 PRO63 0.0000 536 HB2 -1.3536 13.4232 27.0441 H 36 PRO63 0.0000 537 HB3 0.1022 12.3990 27.0363 H 36 PRO63 0.0000 538 CG -0.1561 13.5650 28.8017 C.3 36 PRO63 0.0000 539 HG2 0.0190 14.6016 28.5135 H 36 PRO63 0.0000 540 HG3 0.7784 13.1202 29.1438 H 36 PRO63 0.0000 541 CD -1.1939 13.4936 29.8843 C.3 36 PRO63 0.3001 542 HD2 -0.7287 13.4564 30.8693 H 36 PRO63 0.0000 543 HD3 -1.8700 14.3471 29.8338 H 36 PRO63 0.0000 @BOND 1 1 2 1 BACKBONE 2 1 3 1 BACKBONE 3 1 4 1 BACKBONE 4 1 5 1 BACKBONE 5 5 6 1 BACKBONE 6 5 7 1 BACKBONE 7 5 9 1 8 7 8 2 BACKBONE 9 7 13 am BACKBONE|INTERRES 10 9 10 1 11 9 11 1 12 9 12 1 13 12 292 1 INTERRES 14 13 14 1 BACKBONE 15 13 15 1 BACKBONE 16 15 16 1 BACKBONE 17 15 17 1 BACKBONE 18 15 18 1 BACKBONE 19 18 19 2 BACKBONE 20 18 20 am BACKBONE|INTERRES 21 20 21 1 BACKBONE 22 20 22 1 BACKBONE 23 22 23 1 BACKBONE 24 22 24 1 BACKBONE 25 22 26 1 26 24 25 2 BACKBONE 27 24 30 am BACKBONE|INTERRES 28 26 27 1 29 26 28 1 30 26 29 1 31 30 31 1 BACKBONE 32 30 32 1 BACKBONE 33 32 33 1 BACKBONE 34 32 34 1 BACKBONE 35 32 36 1 36 34 35 2 BACKBONE 37 34 45 am BACKBONE|INTERRES 38 36 37 1 39 36 38 1 40 36 39 1 41 39 40 1 42 39 41 1 43 39 42 1 44 42 43 ar 45 42 44 ar 46 45 46 1 BACKBONE 47 45 47 1 BACKBONE 48 47 48 1 BACKBONE 49 47 49 1 BACKBONE 50 47 51 1 51 49 50 2 BACKBONE 52 49 64 am BACKBONE|INTERRES 53 51 52 1 54 51 53 1 55 51 54 1 56 54 55 1 57 54 56 1 58 54 60 1 59 56 57 1 60 56 58 1 61 56 59 1 62 60 61 1 63 60 62 1 64 60 63 1 65 64 65 1 BACKBONE 66 64 66 1 BACKBONE 67 66 67 1 BACKBONE 68 66 68 1 BACKBONE 69 66 70 1 70 68 69 2 BACKBONE 71 68 80 am BACKBONE|INTERRES 72 70 71 1 73 70 72 1 74 70 76 1 75 72 73 1 76 72 74 1 77 72 75 1 78 76 77 1 79 76 78 1 80 76 79 1 81 80 81 1 BACKBONE 82 80 82 1 BACKBONE 83 82 83 1 BACKBONE 84 82 84 1 BACKBONE 85 82 86 1 86 84 85 2 BACKBONE 87 84 92 am BACKBONE|INTERRES 88 86 87 1 89 86 88 1 90 86 89 1 91 89 90 ar 92 89 91 ar 93 92 93 1 BACKBONE 94 92 94 1 BACKBONE 95 94 95 1 BACKBONE 96 94 96 1 BACKBONE 97 94 98 1 98 96 97 2 BACKBONE 99 96 102 am BACKBONE|INTERRES 100 98 99 1 101 98 100 1 102 98 101 1 103 102 103 1 BACKBONE 104 102 104 1 BACKBONE 105 104 105 1 BACKBONE 106 104 106 1 BACKBONE 107 104 108 1 108 106 107 2 BACKBONE 109 106 121 am BACKBONE|INTERRES 110 108 109 1 111 108 110 1 112 108 111 1 113 111 112 1 114 111 113 1 115 111 117 1 116 113 114 1 117 113 115 1 118 113 116 1 119 117 118 1 120 117 119 1 121 117 120 1 122 121 122 1 BACKBONE 123 121 123 1 BACKBONE 124 123 124 1 BACKBONE 125 123 125 1 BACKBONE 126 123 127 1 127 125 126 2 BACKBONE 128 125 138 am BACKBONE|INTERRES 129 127 128 1 130 127 129 1 131 127 130 1 132 130 131 1 133 130 132 1 134 130 133 1 135 133 134 2 136 133 135 am 137 135 136 1 138 135 137 1 139 138 139 1 BACKBONE 140 138 140 1 BACKBONE 141 140 141 1 BACKBONE 142 140 142 1 BACKBONE 143 140 144 1 144 142 143 2 BACKBONE 145 142 158 am BACKBONE|INTERRES 146 144 145 1 147 144 146 1 148 144 147 1 149 147 148 ar 150 147 150 ar 151 148 149 1 152 148 152 ar 153 150 151 1 154 150 154 ar 155 152 153 1 156 152 156 ar 157 154 155 1 158 154 156 ar 159 156 157 1 160 158 159 1 BACKBONE 161 158 160 1 BACKBONE 162 160 161 1 BACKBONE 163 160 162 1 BACKBONE 164 160 164 1 165 162 163 2 BACKBONE 166 162 174 am BACKBONE|INTERRES 167 164 165 1 168 164 166 1 169 164 170 1 170 166 167 1 171 166 168 1 172 166 169 1 173 170 171 1 174 170 172 1 175 170 173 1 176 174 175 1 BACKBONE 177 174 176 1 BACKBONE 178 176 177 1 BACKBONE 179 176 178 1 BACKBONE 180 176 180 1 181 178 179 2 BACKBONE 182 178 184 am BACKBONE|INTERRES 183 180 181 1 184 180 182 1 185 180 183 1 186 183 518 1 INTERRES 187 184 185 1 BACKBONE 188 184 186 1 BACKBONE 189 186 187 1 BACKBONE 190 186 188 1 BACKBONE 191 186 189 1 BACKBONE 192 189 190 2 BACKBONE 193 189 191 am BACKBONE|INTERRES 194 191 192 1 BACKBONE 195 191 193 1 BACKBONE 196 193 194 1 BACKBONE 197 193 195 1 BACKBONE 198 193 197 1 199 195 196 2 BACKBONE 200 195 203 am BACKBONE|INTERRES 201 197 198 1 202 197 199 1 203 197 200 1 204 200 201 ar 205 200 202 ar 206 203 204 1 BACKBONE 207 203 205 1 BACKBONE 208 205 206 1 BACKBONE 209 205 207 1 BACKBONE 210 205 210 1 211 207 208 1 BACKBONE 212 207 209 2 BACKBONE 213 210 211 1 214 210 212 1 215 210 213 1 216 213 214 1 217 213 215 1 218 213 216 1 219 216 217 1 220 216 218 1 221 216 219 1 222 219 220 1 223 219 221 ar 224 221 222 ar 225 221 225 ar 226 222 223 1 227 222 224 1 228 225 226 1 229 225 227 1 230 228 229 1 BACKBONE 231 228 230 1 BACKBONE 232 228 231 1 BACKBONE 233 228 232 1 BACKBONE 234 232 233 1 BACKBONE 235 232 234 1 BACKBONE 236 232 236 1 237 234 235 2 BACKBONE 238 234 246 am BACKBONE|INTERRES 239 236 237 1 240 236 238 1 241 236 242 1 242 238 239 1 243 238 240 1 244 238 241 1 245 242 243 1 246 242 244 1 247 242 245 1 248 246 247 1 BACKBONE 249 246 248 1 BACKBONE 250 248 249 1 BACKBONE 251 248 250 1 BACKBONE 252 248 252 1 253 250 251 2 BACKBONE 254 250 258 am BACKBONE|INTERRES 255 252 253 1 256 252 254 1 257 252 255 1 258 255 256 ar 259 255 257 ar 260 258 259 1 BACKBONE 261 258 260 1 BACKBONE 262 260 261 1 BACKBONE 263 260 262 1 BACKBONE 264 260 264 1 265 262 263 2 BACKBONE 266 262 273 am BACKBONE|INTERRES 267 264 265 1 268 264 266 1 269 264 267 1 270 267 268 1 271 267 269 1 272 267 270 1 273 270 271 ar 274 270 272 ar 275 273 274 1 BACKBONE 276 273 275 1 BACKBONE 277 275 276 1 BACKBONE 278 275 277 1 BACKBONE 279 275 279 1 280 277 278 2 BACKBONE 281 277 283 am BACKBONE|INTERRES 282 279 280 1 283 279 281 1 284 279 282 1 285 282 357 1 INTERRES 286 283 284 1 BACKBONE 287 283 285 1 BACKBONE 288 285 286 1 BACKBONE 289 285 287 1 BACKBONE 290 285 289 1 291 287 288 2 BACKBONE 292 287 293 am BACKBONE|INTERRES 293 289 290 1 294 289 291 1 295 289 292 1 296 293 294 1 BACKBONE 297 293 295 1 BACKBONE 298 295 296 1 BACKBONE 299 295 297 1 BACKBONE 300 295 299 1 301 297 298 2 BACKBONE 302 297 313 am BACKBONE|INTERRES 303 299 300 1 304 299 301 1 305 299 302 1 306 302 303 ar 307 302 305 ar 308 303 304 1 309 303 307 ar 310 305 306 1 311 305 309 ar 312 307 308 1 313 307 311 ar 314 309 310 1 315 309 311 ar 316 311 312 1 317 313 314 1 BACKBONE 318 313 315 1 BACKBONE 319 315 316 1 BACKBONE 320 315 317 1 BACKBONE 321 315 319 1 322 317 318 2 BACKBONE 323 317 337 am BACKBONE|INTERRES 324 319 320 1 325 319 321 1 326 319 322 1 327 322 323 1 328 322 324 1 329 322 325 1 330 325 326 1 331 325 327 1 332 325 328 1 333 328 329 1 334 328 330 ar 335 330 331 ar 336 330 334 ar 337 331 332 1 338 331 333 1 339 334 335 1 340 334 336 1 341 337 338 1 BACKBONE 342 337 339 1 BACKBONE 343 339 340 1 BACKBONE 344 339 341 1 BACKBONE 345 339 343 1 346 341 342 2 BACKBONE 347 341 348 am BACKBONE|INTERRES 348 343 344 1 349 343 345 1 350 343 346 1 351 346 347 1 352 348 349 1 BACKBONE 353 348 350 1 BACKBONE 354 350 351 1 BACKBONE 355 350 352 1 BACKBONE 356 350 354 1 357 352 353 2 BACKBONE 358 352 358 am BACKBONE|INTERRES 359 354 355 1 360 354 356 1 361 354 357 1 362 358 359 1 BACKBONE 363 358 360 1 BACKBONE 364 360 361 1 BACKBONE 365 360 362 1 BACKBONE 366 360 364 1 367 362 363 2 BACKBONE 368 362 370 am BACKBONE|INTERRES 369 364 365 1 370 364 366 1 371 364 367 1 372 367 368 ar 373 367 369 ar 374 370 371 1 BACKBONE 375 370 372 1 BACKBONE 376 372 373 1 BACKBONE 377 372 374 1 BACKBONE 378 372 376 1 379 374 375 2 BACKBONE 380 374 389 am BACKBONE|INTERRES 381 376 377 1 382 376 378 1 383 376 379 1 384 379 380 1 385 379 381 1 386 379 385 1 387 381 382 1 388 381 383 1 389 381 384 1 390 385 386 1 391 385 387 1 392 385 388 1 393 389 390 1 BACKBONE 394 389 391 1 BACKBONE 395 391 392 1 BACKBONE 396 391 393 1 BACKBONE 397 391 395 1 398 393 394 2 BACKBONE 399 393 413 am BACKBONE|INTERRES 400 395 396 1 401 395 397 1 402 395 398 1 403 398 399 1 404 398 400 1 405 398 401 1 406 401 402 1 407 401 403 1 408 401 404 1 409 404 405 1 410 404 406 ar 411 406 407 ar 412 406 410 ar 413 407 408 1 414 407 409 1 415 410 411 1 416 410 412 1 417 413 414 1 BACKBONE 418 413 415 1 BACKBONE 419 415 416 1 BACKBONE 420 415 417 1 BACKBONE 421 415 419 1 422 417 418 2 BACKBONE 423 417 437 am BACKBONE|INTERRES 424 419 420 1 425 419 421 1 426 419 422 1 427 422 423 1 428 422 424 1 429 422 425 1 430 425 426 1 431 425 427 1 432 425 428 1 433 428 429 1 434 428 430 ar 435 430 431 ar 436 430 434 ar 437 431 432 1 438 431 433 1 439 434 435 1 440 434 436 1 441 437 438 1 BACKBONE 442 437 439 1 BACKBONE 443 439 440 1 BACKBONE 444 439 441 1 BACKBONE 445 439 443 1 446 441 442 2 BACKBONE 447 441 456 am BACKBONE|INTERRES 448 443 444 1 449 443 445 1 450 443 446 1 451 446 447 1 452 446 448 1 453 446 452 1 454 448 449 1 455 448 450 1 456 448 451 1 457 452 453 1 458 452 454 1 459 452 455 1 460 456 457 1 BACKBONE 461 456 458 1 BACKBONE 462 458 459 1 BACKBONE 463 458 460 1 BACKBONE 464 458 462 1 465 460 461 2 BACKBONE 466 460 471 am BACKBONE|INTERRES 467 462 463 1 468 462 464 1 469 462 465 1 470 465 466 1 471 465 467 1 472 465 468 1 473 468 469 ar 474 468 470 ar 475 471 472 1 BACKBONE 476 471 473 1 BACKBONE 477 473 474 1 BACKBONE 478 473 475 1 BACKBONE 479 473 477 1 480 475 476 2 BACKBONE 481 475 488 am BACKBONE|INTERRES 482 477 478 1 483 477 479 1 484 477 480 1 485 480 481 1 486 480 482 1 487 480 483 1 488 483 484 1 489 484 485 1 490 484 486 1 491 484 487 1 492 488 489 1 BACKBONE 493 488 490 1 BACKBONE 494 490 491 1 BACKBONE 495 490 492 1 BACKBONE 496 490 494 1 497 492 493 2 BACKBONE 498 492 509 am BACKBONE|INTERRES 499 494 495 1 500 494 496 1 501 494 497 1 502 497 498 ar 503 497 500 ar 504 498 499 1 505 498 502 ar 506 500 501 1 507 500 504 ar 508 502 503 1 509 502 506 ar 510 504 505 1 511 504 506 ar 512 506 507 1 513 507 508 1 514 509 510 1 BACKBONE 515 509 511 1 BACKBONE 516 511 512 1 BACKBONE 517 511 513 1 BACKBONE 518 511 515 1 519 513 514 2 BACKBONE 520 513 519 am BACKBONE|INTERRES 521 515 516 1 522 515 517 1 523 515 518 1 524 519 520 1 BACKBONE 525 519 521 1 BACKBONE 526 521 522 1 BACKBONE 527 521 523 1 BACKBONE 528 521 525 1 529 523 524 2 BACKBONE 530 523 529 am BACKBONE|INTERRES 531 525 526 1 532 525 527 1 533 525 528 1 534 529 530 1 BACKBONE 535 529 541 1 536 530 531 1 BACKBONE 537 530 532 1 BACKBONE 538 530 535 1 539 532 533 1 BACKBONE 540 532 534 2 BACKBONE 541 535 536 1 542 535 537 1 543 535 538 1 544 538 539 1 545 538 540 1 546 538 541 1 547 541 542 1 548 541 543 1 @SUBSTRUCTURE 1 CYS6 5 RESIDUE 4 E CYS 2 2 GLY7 15 RESIDUE 4 E GLY 2 3 ALA8 22 RESIDUE 4 E ALA 2 4 GLU9 32 RESIDUE 4 E GLU 2 5 LEU10 47 RESIDUE 4 E LEU 2 6 VAL11 66 RESIDUE 4 E VAL 2 7 ASP12 82 RESIDUE 4 E ASP 2 8 ALA13 94 RESIDUE 4 E ALA 2 9 LEU14 104 RESIDUE 4 E LEU 2 10 GLN15 123 RESIDUE 4 E GLN 2 11 PHE16 140 RESIDUE 4 E PHE 2 12 VAL17 160 RESIDUE 4 E VAL 2 13 CYS18 176 RESIDUE 4 E CYS 3 14 GLY19 186 RESIDUE 4 E GLY 2 15 ASP20 193 RESIDUE 4 E ASP 2 16 ARG21 205 RESIDUE 4 E ARG 1 17 VAL44 232 RESIDUE 4 E VAL 1 18 ASP45 248 RESIDUE 4 E ASP 2 19 GLU46 260 RESIDUE 4 E GLU 2 20 CYS47 275 RESIDUE 4 E CYS 3 21 CYS48 285 RESIDUE 4 E CYS 3 22 PHE49 295 RESIDUE 4 E PHE 2 23 ARG50 315 RESIDUE 4 E ARG 2 24 SER51 339 RESIDUE 4 E SER 2 25 CYS52 350 RESIDUE 4 E CYS 3 26 ASP53 360 RESIDUE 4 E ASP 2 27 LEU54 372 RESIDUE 4 E LEU 2 28 ARG55 391 RESIDUE 4 E ARG 2 29 ARG56 415 RESIDUE 4 E ARG 2 30 LEU57 439 RESIDUE 4 E LEU 2 31 GLU58 458 RESIDUE 4 E GLU 2 32 MET59 473 RESIDUE 4 E MET 2 33 TYR60 490 RESIDUE 4 E TYR 2 34 CYS61 511 RESIDUE 4 E CYS 3 35 ALA62 521 RESIDUE 4 E ALA 2 36 PRO63 530 RESIDUE 4 E PRO 1 # MOE 2014.09 (io_trps.svl 2012.10)