0 0 2 This is a remark line molecule.res LYR INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.523 111.21 .0 .00000 4 N NL M 3 2 1 1.540 111.208 -180.000 -0.36610 5 H H E 4 3 2 1.000 159.839 -55.757 0.31150 6 CA LA M 4 3 2 1.468 54.464 -17.343 -0.49110 7 CB LB 3 6 4 3 1.525 113.704 96.383 -0.00920 8 CG LG 3 7 6 4 1.586 112.797 -66.526 -0.04540 9 CD LD 3 8 7 6 1.533 109.789 178.190 -0.09800 10 CE LE 3 9 8 7 1.548 115.448 -140.632 -0.06870 11 NZ NZ B 10 9 8 1.480 113.666 -51.601 -0.34550 12 HZ H E 11 10 9 0.979 113.343 -89.032 0.39310 13 C15 RF B 11 10 9 1.299 131.724 102.737 0.01860 14 C14 RE B 13 11 10 1.350 118.003 -171.540 -0.32750 15 C13 RD B 14 13 11 1.403 123.097 171.906 0.26450 16 C12 RC B 15 14 13 1.471 118.954 160.242 -0.26980 17 C11 RB B 16 15 14 1.348 130.845 150.413 0.02330 18 C10 RA B 17 16 15 1.396 125.225 3.060 -0.22980 19 C9 R9 B 18 17 16 1.314 127.938 -167.375 0.13340 20 C8 R8 B 19 18 17 1.538 123.295 163.794 -0.19060 21 C7 R7 B 20 19 18 1.305 127.354 135.812 -0.02750 22 C6 R6 S 21 20 19 1.418 122.272 -176.390 -0.14350 23 C1 R1 3 22 21 20 1.575 111.481 148.122 0.14830 24 C2 R2 3 23 22 21 1.506 113.993 176.634 -0.05500 25 C3 R3 3 24 23 22 1.457 118.266 37.173 -0.12020 26 C4 R4 3 25 24 23 1.570 105.371 -57.307 -0.08230 27 C5 R5 S 26 25 24 1.575 115.872 47.473 0.09720 28 C18 RI 3 27 26 25 1.483 115.361 161.980 -0.23300 29 H183 HC E 28 27 26 1.098 114.042 153.950 0.07480 30 H182 HC E 28 27 26 1.098 101.745 -80.914 0.07480 31 H181 HC E 28 27 26 1.098 104.835 35.300 0.07480 32 H42 HC E 26 25 24 1.107 100.927 158.514 0.05680 33 H41 HC E 26 25 24 1.107 113.283 -91.844 0.05680 34 H32 HC E 25 24 23 1.094 110.131 61.036 0.05280 35 H31 HC E 25 24 23 1.094 115.582 -177.521 0.05280 36 H22 HC E 24 23 22 1.116 108.981 148.956 0.04505 37 H21 HC E 24 23 22 1.115 114.000 -87.397 0.04505 38 C16 RG 3 23 22 21 1.611 113.282 62.038 -0.24790 39 H163 HC E 38 23 22 1.092 122.434 48.840 0.07010 40 H162 HC E 38 23 22 1.091 106.466 162.221 0.07010 41 H161 HC E 38 23 22 1.091 119.845 -80.199 0.07010 42 C17 RH 3 23 22 21 1.588 114.697 -59.008 -0.22390 43 H173 HC E 42 23 22 1.095 113.574 178.297 0.06440 44 H172 HC E 42 23 22 1.095 105.479 -63.251 0.06440 45 H171 HC E 42 23 22 1.094 113.481 60.327 0.06440 46 H7 HA E 21 20 19 1.107 117.986 -4.356 0.12850 47 H8 HA E 20 19 18 1.083 111.887 -43.468 0.11200 48 C19 RJ 3 19 18 17 1.566 109.805 -58.362 -0.19640 49 H193 HC E 48 19 18 1.106 112.989 145.060 0.08810 50 H192 HC E 48 19 18 1.107 111.018 -95.605 0.08810 51 H191 HC E 48 19 18 1.107 115.440 30.474 0.08810 52 H10 HA E 18 17 16 1.090 116.073 -20.972 0.14910 53 H11 HA E 17 16 15 1.073 113.285 -175.640 0.13920 54 H12 HA E 16 15 14 1.091 112.585 -16.088 0.13390 55 C20 RK 3 15 14 13 1.544 119.449 -7.882 -0.17450 56 H203 HC E 55 15 14 1.100 104.882 62.034 0.08690 57 H202 HC E 55 15 14 1.100 108.676 -178.980 0.08690 58 H201 HC E 55 15 14 1.100 114.836 -58.716 0.08690 59 H14 HA E 14 13 11 1.084 115.108 -10.762 0.16210 60 H15 HA E 13 11 10 1.073 116.172 -2.706 0.22520 61 HE2 HP E 10 9 8 1.110 105.772 76.109 0.12520 62 HE3 HP E 10 9 8 1.110 104.740 -170.082 0.12520 63 HD2 HC E 9 8 7 1.076 97.067 -31.227 0.06080 64 HD3 HC E 9 8 7 1.076 120.164 77.267 0.06080 65 HG2 HC E 8 7 6 1.096 114.614 -63.435 0.05140 66 HG3 HC E 8 7 6 1.095 106.206 63.713 0.05140 67 HB2 HC E 7 6 4 1.100 108.649 53.096 0.06800 68 HB3 HC E 7 6 4 1.102 108.619 172.358 0.06800 69 HA H1 E 6 4 3 1.091 112.202 -31.279 0.22460 70 C L M 6 4 3 1.568 114.079 -144.043 0.80990 71 O OL E 70 6 4 1.245 117.563 141.422 -0.60150 LOOP C5 C6 IMPROPER C14 H14 C15 NZ C15 C13 C14 H14 C20 C14 C13 C12 C11 C13 C12 H12 C10 C12 C11 H11 C11 C9 C10 H10 C19 C10 C9 C8 C7 C9 C8 H8 C6 C8 C7 H7 C5 C1 C6 C7 C4 C18 C5 C6 +M CA C O DONE STOP