Fragment List : XVK91
Number of Fragments : 336 Ligand Residue Name : Ligand Fragment Number :
1(B:0:ACE)
2(B:1:MET)
3(B:2:THR)
4(B:3:ASP)
5(B:4:LYS)
6(B:5:ILE)
7(B:6:ALA)
8(B:7:VAL)
9(B:8:LEU)
10(B:9:LEU)
11(B:10:GLY)
12(B:11:GLY)
13(B:12:THR)
14(B:13:SER)
15(B:14:ALA)
16(B:15:GLU)
17(B:16:ARG)
18(B:17:GLU)
19(B:18:VAL)
20(B:19:SER)
21(B:20:LEU)
22(B:21:ASN)
23(B:22:SER)
24(B:23:GLY)
25(B:24:ALA)
26(B:25:ALA)
27(B:26:VAL)
28(B:27:LEU)
29(B:28:ALA)
30(B:29:GLY)
31(B:30:LEU)
32(B:31:ARG)
33(B:32:GLU)
34(B:33:GLY)
35(B:34:GLY)
36(B:35:ILE)
37(B:36:ASP)
38(B:37:ALA)
39(B:38:TYR)
40(B:39:PRO)
41(B:40:VAL)
42(B:41:ASP)
43(B:42:PRO)
44(B:43:LYS)
45(B:44:GLU)
46(B:45:VAL)
47(B:46:ASP)
48(B:47:VAL)
49(B:48:THR)
50(B:49:GLN)
51(B:50:LEU)
52(B:51:LYS)
53(B:52:SER)
54(B:53:MET)
55(B:54:GLY)
56(B:55:PHE)
57(B:56:GLN)
58(B:57:LYS)
59(B:58:VAL)
60(B:59:PHE)
61(B:60:ILE)
62(B:61:ALA)
63(B:62:LEU)
64(B:63:HIS)
65(B:64:GLY)
66(B:65:ARG)
67(B:66:GLY)
68(B:67:GLY)
69(B:68:GLU)
70(B:69:ASP)
71(B:70:GLY)
72(B:71:THR)
73(B:72:LEU)
74(B:73:GLN)
75(B:74:GLY)
76(B:75:MET)
77(B:76:LEU)
78(B:77:GLU)
79(B:78:LEU)
80(B:79:MET)
81(B:80:GLY)
82(B:81:LEU)
83(B:82:PRO)
84(B:83:TYR)
85(B:84:THR)
86(B:85:GLY)
87(B:86:SER)
88(B:87:GLY)
89(B:88:VAL)
90(B:89:MET)
91(B:90:ALA)
92(B:91:SER)
93(B:92:ALA)
94(B:93:LEU)
95(B:94:SER)
96(B:95:MET)
97(B:96:ASP)
98(B:97:LYS)
99(B:98:LEU)
100(B:99:ARG)
101(B:100:SER)
102(B:101:LYS)
103(B:102:LEU)
104(B:103:LEU)
105(B:104:TRP)
106(B:105:GLN)
107(B:106:GLY)
108(B:107:ALA)
109(B:108:GLY)
110(B:109:LEU)
111(B:110:PRO)
112(B:111:VAL)
113(B:112:ALA)
114(B:113:PRO)
115(B:114:TRP)
116(B:115:VAL)
117(B:116:ALA)
118(B:117:LEU)
119(B:118:THR)
120(B:119:ARG)
121(B:120:ALA)
122(B:121:GLU)
123(B:122:PHE)
124(B:123:GLU)
125(B:124:LYS)
126(B:125:GLY)
127(B:126:LEU)
128(B:127:SER)
129(B:128:ASP)
130(B:129:LYS)
131(B:130:GLN)
132(B:131:LEU)
133(B:132:ALA)
134(B:133:GLU)
135(B:134:ILE)
136(B:135:SER)
137(B:136:ALA)
138(B:137:LEU)
139(B:138:GLY)
140(B:139:LEU)
141(B:140:PRO)
142(B:141:VAL)
143(B:142:ILE)
144(B:143:VAL)
145(B:144:LYS)
146(B:145:PRO)
147(B:146:SER)
148(B:147:ARG)
149(B:148:GLU)
150(B:149:GLY)
151(B:150:SER)
152(B:151:SER)
153(B:152:VAL)
154(B:153:GLY)
155(B:154:MET)
156(B:155:SER)
157(B:156:LYS)
158(B:157:VAL)
159(B:158:VAL)
160(B:159:ALA)
161(B:160:GLU)
162(B:161:ASN)
163(B:162:ALA)
164(B:163:LEU)
165(B:164:GLN)
166(B:165:ASP)
167(B:166:ALA)
168(B:167:LEU)
169(B:168:ARG)
170(B:169:LEU)
171(B:170:ALA)
172(B:171:PHE)
173(B:172:GLN)
174(B:173:HIS)
175(B:174:ASP)
176(B:175:GLU)
177(B:176:GLU)
178(B:177:VAL)
179(B:178:LEU)
180(B:179:ILE)
181(B:180:GLU)
182(B:181:LYS)
183(B:182:TRP)
184(B:183:LEU)
185(B:184:SER)
186(B:185:GLY)
187(B:186:PRO)
188(B:187:GLU)
189(B:188:PHE)
190(B:189:THR)
191(B:190:VAL)
192(B:191:ALA)
193(B:192:ILE)
194(B:193:LEU)
195(B:194:GLY)
196(B:195:GLU)
197(B:196:GLU)
198(B:197:ILE)
199(B:198:LEU)
200(B:199:PRO)
201(B:200:SER)
202(B:201:ILE)
203(B:202:ARG)
204(B:203:ILE)
205(B:204:GLN)
206(B:205:PRO)
207(B:206:SER)
208(B:207:GLY)
209(B:208:THR)
210(B:209:PHE)
211(B:210:TYR)
212(B:211:ASP)
213(B:212:TYR)
214(B:213:GLU)
215(B:214:ALA)
216(B:215:LYS)
217(B:216:TYR)
218(B:217:LEU)
219(B:218:SER)
220(B:219:ASP)
221(B:220:GLU)
222(B:221:THR)
223(B:222:GLN)
224(B:223:TYR)
225(B:224:PHE)
226(B:225:CYS)
227(B:226:PRO)
228(B:227:ALA)
229(B:228:GLY)
230(B:229:LEU)
231(B:230:GLU)
232(B:231:ALA)
233(B:232:SER)
234(B:233:GLN)
235(B:234:GLU)
236(B:235:ALA)
237(B:236:ASN)
238(B:237:LEU)
239(B:238:GLN)
240(B:239:ALA)
241(B:240:LEU)
242(B:241:VAL)
243(B:242:LEU)
244(B:243:LYS)
245(B:244:ALA)
246(B:245:TRP)
247(B:246:THR)
248(B:247:THR)
249(B:248:LEU)
250(B:249:GLY)
251(B:250:CYS)
252(B:251:LYS)
253(B:252:GLY)
254(B:253:TRP)
255(B:254:GLY)
256(B:255:ARG)
257(B:256:ILE)
258(B:257:ASP)
259(B:258:VAL)
260(B:259:MET)
261(B:260:LEU)
262(B:261:ASP)
263(B:262:SER)
264(B:263:ASP)
265(B:264:GLY)
266(B:265:GLN)
267(B:266:PHE)
268(B:267:TYR)
269(B:268:LEU)
270(B:269:LEU)
271(B:270:GLU)
272(B:271:ALA)
273(B:272:ASN)
274(B:273:THR)
275(B:274:SER)
276(B:275:PRO)
277(B:276:GLY)
278(B:277:MET)
279(B:278:THR)
280(B:279:SER)
281(B:280:HIS)
282(B:281:SER)
283(B:282:LEU)
284(B:283:VAL)
285(B:284:PRO)
286(B:285:MET)
287(B:286:ALA)
288(B:287:ALA)
289(B:288:ARG)
290(B:289:GLN)
291(B:290:ALA)
292(B:291:GLY)
293(B:292:MET)
294(B:293:SER)
295(B:294:PHE)
296(B:295:SER)
297(B:296:GLN)
298(B:297:LEU)
299(B:298:VAL)
300(B:299:VAL)
301(B:300:ARG)
302(B:301:ILE)
303(B:302:LEU)
304(B:303:GLU)
305(B:304:LEU)
306(B:305:ALA)
307(B:306:ASP)
308(B:310:ADP)
309(B:311:DAL)
310(B:312:DAL)
311(B:313:CO3)
312(B:1307:MG2)
313(B:1308:MG2)
314(B:1309:MG2)
315(B:1310:MG2)
316(A:2112:HOH)
317(A:2153:HOH)
318(A:2184:HOH)
319(A:2189:HOH)
320(A:2205:HOH)
321(A:2359:HOH)
322(A:2362:HOH)
323(B:2108:HOH)
324(B:2198:HOH)
325(B:2200:HOH)
326(B:2224:HOH)
327(B:2225:HOH)
328(B:2278:HOH)
329(B:2281:HOH)
330(B:2285:HOH)
331(B:2319:HOH)
332(B:2334:HOH)
333(B:2336:HOH)
334(B:2356:HOH)
335(B:2357:HOH)
336(B:2358:HOH)
2(B:1:MET)
3(B:2:THR)
4(B:3:ASP)
5(B:4:LYS)
6(B:5:ILE)
7(B:6:ALA)
8(B:7:VAL)
9(B:8:LEU)
10(B:9:LEU)
11(B:10:GLY)
12(B:11:GLY)
13(B:12:THR)
14(B:13:SER)
15(B:14:ALA)
16(B:15:GLU)
17(B:16:ARG)
18(B:17:GLU)
19(B:18:VAL)
20(B:19:SER)
21(B:20:LEU)
22(B:21:ASN)
23(B:22:SER)
24(B:23:GLY)
25(B:24:ALA)
26(B:25:ALA)
27(B:26:VAL)
28(B:27:LEU)
29(B:28:ALA)
30(B:29:GLY)
31(B:30:LEU)
32(B:31:ARG)
33(B:32:GLU)
34(B:33:GLY)
35(B:34:GLY)
36(B:35:ILE)
37(B:36:ASP)
38(B:37:ALA)
39(B:38:TYR)
40(B:39:PRO)
41(B:40:VAL)
42(B:41:ASP)
43(B:42:PRO)
44(B:43:LYS)
45(B:44:GLU)
46(B:45:VAL)
47(B:46:ASP)
48(B:47:VAL)
49(B:48:THR)
50(B:49:GLN)
51(B:50:LEU)
52(B:51:LYS)
53(B:52:SER)
54(B:53:MET)
55(B:54:GLY)
56(B:55:PHE)
57(B:56:GLN)
58(B:57:LYS)
59(B:58:VAL)
60(B:59:PHE)
61(B:60:ILE)
62(B:61:ALA)
63(B:62:LEU)
64(B:63:HIS)
65(B:64:GLY)
66(B:65:ARG)
67(B:66:GLY)
68(B:67:GLY)
69(B:68:GLU)
70(B:69:ASP)
71(B:70:GLY)
72(B:71:THR)
73(B:72:LEU)
74(B:73:GLN)
75(B:74:GLY)
76(B:75:MET)
77(B:76:LEU)
78(B:77:GLU)
79(B:78:LEU)
80(B:79:MET)
81(B:80:GLY)
82(B:81:LEU)
83(B:82:PRO)
84(B:83:TYR)
85(B:84:THR)
86(B:85:GLY)
87(B:86:SER)
88(B:87:GLY)
89(B:88:VAL)
90(B:89:MET)
91(B:90:ALA)
92(B:91:SER)
93(B:92:ALA)
94(B:93:LEU)
95(B:94:SER)
96(B:95:MET)
97(B:96:ASP)
98(B:97:LYS)
99(B:98:LEU)
100(B:99:ARG)
101(B:100:SER)
102(B:101:LYS)
103(B:102:LEU)
104(B:103:LEU)
105(B:104:TRP)
106(B:105:GLN)
107(B:106:GLY)
108(B:107:ALA)
109(B:108:GLY)
110(B:109:LEU)
111(B:110:PRO)
112(B:111:VAL)
113(B:112:ALA)
114(B:113:PRO)
115(B:114:TRP)
116(B:115:VAL)
117(B:116:ALA)
118(B:117:LEU)
119(B:118:THR)
120(B:119:ARG)
121(B:120:ALA)
122(B:121:GLU)
123(B:122:PHE)
124(B:123:GLU)
125(B:124:LYS)
126(B:125:GLY)
127(B:126:LEU)
128(B:127:SER)
129(B:128:ASP)
130(B:129:LYS)
131(B:130:GLN)
132(B:131:LEU)
133(B:132:ALA)
134(B:133:GLU)
135(B:134:ILE)
136(B:135:SER)
137(B:136:ALA)
138(B:137:LEU)
139(B:138:GLY)
140(B:139:LEU)
141(B:140:PRO)
142(B:141:VAL)
143(B:142:ILE)
144(B:143:VAL)
145(B:144:LYS)
146(B:145:PRO)
147(B:146:SER)
148(B:147:ARG)
149(B:148:GLU)
150(B:149:GLY)
151(B:150:SER)
152(B:151:SER)
153(B:152:VAL)
154(B:153:GLY)
155(B:154:MET)
156(B:155:SER)
157(B:156:LYS)
158(B:157:VAL)
159(B:158:VAL)
160(B:159:ALA)
161(B:160:GLU)
162(B:161:ASN)
163(B:162:ALA)
164(B:163:LEU)
165(B:164:GLN)
166(B:165:ASP)
167(B:166:ALA)
168(B:167:LEU)
169(B:168:ARG)
170(B:169:LEU)
171(B:170:ALA)
172(B:171:PHE)
173(B:172:GLN)
174(B:173:HIS)
175(B:174:ASP)
176(B:175:GLU)
177(B:176:GLU)
178(B:177:VAL)
179(B:178:LEU)
180(B:179:ILE)
181(B:180:GLU)
182(B:181:LYS)
183(B:182:TRP)
184(B:183:LEU)
185(B:184:SER)
186(B:185:GLY)
187(B:186:PRO)
188(B:187:GLU)
189(B:188:PHE)
190(B:189:THR)
191(B:190:VAL)
192(B:191:ALA)
193(B:192:ILE)
194(B:193:LEU)
195(B:194:GLY)
196(B:195:GLU)
197(B:196:GLU)
198(B:197:ILE)
199(B:198:LEU)
200(B:199:PRO)
201(B:200:SER)
202(B:201:ILE)
203(B:202:ARG)
204(B:203:ILE)
205(B:204:GLN)
206(B:205:PRO)
207(B:206:SER)
208(B:207:GLY)
209(B:208:THR)
210(B:209:PHE)
211(B:210:TYR)
212(B:211:ASP)
213(B:212:TYR)
214(B:213:GLU)
215(B:214:ALA)
216(B:215:LYS)
217(B:216:TYR)
218(B:217:LEU)
219(B:218:SER)
220(B:219:ASP)
221(B:220:GLU)
222(B:221:THR)
223(B:222:GLN)
224(B:223:TYR)
225(B:224:PHE)
226(B:225:CYS)
227(B:226:PRO)
228(B:227:ALA)
229(B:228:GLY)
230(B:229:LEU)
231(B:230:GLU)
232(B:231:ALA)
233(B:232:SER)
234(B:233:GLN)
235(B:234:GLU)
236(B:235:ALA)
237(B:236:ASN)
238(B:237:LEU)
239(B:238:GLN)
240(B:239:ALA)
241(B:240:LEU)
242(B:241:VAL)
243(B:242:LEU)
244(B:243:LYS)
245(B:244:ALA)
246(B:245:TRP)
247(B:246:THR)
248(B:247:THR)
249(B:248:LEU)
250(B:249:GLY)
251(B:250:CYS)
252(B:251:LYS)
253(B:252:GLY)
254(B:253:TRP)
255(B:254:GLY)
256(B:255:ARG)
257(B:256:ILE)
258(B:257:ASP)
259(B:258:VAL)
260(B:259:MET)
261(B:260:LEU)
262(B:261:ASP)
263(B:262:SER)
264(B:263:ASP)
265(B:264:GLY)
266(B:265:GLN)
267(B:266:PHE)
268(B:267:TYR)
269(B:268:LEU)
270(B:269:LEU)
271(B:270:GLU)
272(B:271:ALA)
273(B:272:ASN)
274(B:273:THR)
275(B:274:SER)
276(B:275:PRO)
277(B:276:GLY)
278(B:277:MET)
279(B:278:THR)
280(B:279:SER)
281(B:280:HIS)
282(B:281:SER)
283(B:282:LEU)
284(B:283:VAL)
285(B:284:PRO)
286(B:285:MET)
287(B:286:ALA)
288(B:287:ALA)
289(B:288:ARG)
290(B:289:GLN)
291(B:290:ALA)
292(B:291:GLY)
293(B:292:MET)
294(B:293:SER)
295(B:294:PHE)
296(B:295:SER)
297(B:296:GLN)
298(B:297:LEU)
299(B:298:VAL)
300(B:299:VAL)
301(B:300:ARG)
302(B:301:ILE)
303(B:302:LEU)
304(B:303:GLU)
305(B:304:LEU)
306(B:305:ALA)
307(B:306:ASP)
308(B:310:ADP)
309(B:311:DAL)
310(B:312:DAL)
311(B:313:CO3)
312(B:1307:MG2)
313(B:1308:MG2)
314(B:1309:MG2)
315(B:1310:MG2)
316(A:2112:HOH)
317(A:2153:HOH)
318(A:2184:HOH)
319(A:2189:HOH)
320(A:2205:HOH)
321(A:2359:HOH)
322(A:2362:HOH)
323(B:2108:HOH)
324(B:2198:HOH)
325(B:2200:HOH)
326(B:2224:HOH)
327(B:2225:HOH)
328(B:2278:HOH)
329(B:2281:HOH)
330(B:2285:HOH)
331(B:2319:HOH)
332(B:2334:HOH)
333(B:2336:HOH)
334(B:2356:HOH)
335(B:2357:HOH)
336(B:2358:HOH)