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4v94E.mol2
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@<TRIPOS>MOLECULE
4v94E00.pdb
242 228 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 N 115.1260 22.3590 92.4640 N.3 34 THR34 -0.1203
2 CA 113.8720 21.6540 92.2440 C.3 34 THR34 0.1994
3 C 113.7490 21.1360 90.8170 C.2 34 THR34 0.2618
4 O 113.2120 20.0480 90.5940 O.2 34 THR34 -0.2717
5 CB 112.6720 22.5540 92.5930 C.3 34 THR34 0.1784
6 OG1 112.4790 22.5280 94.0110 O.3 34 THR34 -0.2211
7 CG2 111.3880 22.0930 91.9010 C.3 34 THR34 0.0376
8 N 114.2770 21.9050 89.8680 N.am 35 LEU35 -0.1965
9 CA 114.0420 21.6770 88.4410 C.3 35 LEU35 0.1728
10 C 114.5230 20.3310 87.9270 C.2 35 LEU35 0.2617
11 O 115.6540 19.9090 88.1940 O.2 35 LEU35 -0.2715
12 CB 114.6680 22.7920 87.5990 C.3 35 LEU35 0.0311
13 CG 114.1030 22.9720 86.1880 C.3 35 LEU35 0.0022
14 CD1 112.7570 23.6990 86.2080 C.3 35 LEU35 0.0001
15 CD2 115.1000 23.7220 85.3290 C.3 35 LEU35 0.0001
16 N 113.6310 19.6710 87.1940 N.am 36 GLY36 -0.1941
17 CA 113.9680 18.4830 86.4310 C.3 36 GLY36 0.1998
18 C 114.0360 17.1800 87.1920 C.2 36 GLY36 0.2480
19 O 113.8860 17.1580 88.4110 O.2 36 GLY36 -0.2729
20 N 114.2810 16.0830 86.4590 N.am 37 PRO37 -0.2726
21 CA 114.3060 14.6900 86.9170 C.3 37 PRO37 0.1402
22 C 115.2150 14.4620 88.1200 C.2 37 PRO37 0.2269
23 O 114.7290 14.1410 89.2100 O.2 37 PRO37 -0.2865
24 CB 114.8480 13.9290 85.7020 C.3 37 PRO37 0.0296
25 CG 114.5200 14.7830 84.5450 C.3 37 PRO37 0.0237
26 CD 114.5660 16.1940 85.0170 C.3 37 PRO37 0.0939
27 N 108.5770 19.5460 96.6340 N.3 56 ASN56 -0.1225
28 CA 109.1440 19.9780 95.3600 C.3 56 ASN56 0.1785
29 C 108.3610 21.1770 94.8100 C.2 56 ASN56 0.2597
30 O 108.9570 22.2150 94.5140 O.2 56 ASN56 -0.2718
31 CB 109.1610 18.8280 94.3390 C.3 56 ASN56 0.1169
32 CG 110.1430 19.0650 93.1870 C.2 56 ASN56 0.2627
33 OD1 109.7390 19.2880 92.0440 O.2 56 ASN56 -0.2716
34 ND2 111.4340 19.0050 93.4880 N.am 56 ASN56 -0.0877
35 N 107.0330 21.0360 94.6960 N.am 57 ASP57 -0.1960
36 CA 106.1610 22.0880 94.1370 C.3 57 ASP57 0.1840
37 C 106.7300 23.4720 94.4820 C.2 57 ASP57 0.2622
38 O 106.6720 23.9210 95.6280 O.2 57 ASP57 -0.2715
39 CB 104.6960 21.9220 94.6080 C.3 57 ASP57 0.1450
40 CG 103.6610 22.3600 93.5520 C.2 57 ASP57 0.3671
41 OD1 104.0030 22.4310 92.3580 O.co2 57 ASP57 -0.2456
42 OD2 102.4890 22.6120 93.9050 O.co2 57 ASP57 -0.2456
43 N 107.3190 24.1090 93.4710 N.am 58 GLY58 -0.1954
44 CA 108.0720 25.3520 93.6330 C.3 58 GLY58 0.1869
45 C 107.2750 26.5190 94.1700 C.2 58 GLY58 0.2309
46 O 107.8180 27.4080 94.8290 O.2 58 GLY58 -0.2863
47 N 100.9650 23.0900 87.1100 N.3 88 ASP88 -0.1225
48 CA 102.3980 22.7810 86.9750 C.3 88 ASP88 0.1805
49 C 103.1630 23.8440 86.1700 C.2 88 ASP88 0.2598
50 O 102.5750 24.6300 85.4210 O.2 88 ASP88 -0.2718
51 CB 102.6230 21.3810 86.3740 C.3 88 ASP88 0.1424
52 CG 104.0200 20.8120 86.6820 C.2 88 ASP88 0.3668
53 OD1 104.5630 21.0630 87.7870 O.co2 88 ASP88 -0.2456
54 OD2 104.5770 20.1000 85.8160 O.co2 88 ASP88 -0.2456
55 N 104.4810 23.8510 86.3370 N.am 89 GLY89 -0.1942
56 CA 105.3310 24.8680 85.7470 C.3 89 GLY89 0.2014
57 C 105.6480 25.9470 86.7610 C.2 89 GLY89 0.2640
58 O 105.9620 27.0740 86.3840 O.2 89 GLY89 -0.2714
59 N 105.5690 25.5970 88.0470 N.am 90 THR90 -0.1936
60 CA 105.7890 26.5410 89.1520 C.3 90 THR90 0.2028
61 C 107.2250 27.0350 89.1790 C.2 90 THR90 0.2643
62 O 107.4850 28.2390 89.1960 O.2 90 THR90 -0.2714
63 CB 105.4980 25.8970 90.5220 C.3 90 THR90 0.1808
64 OG1 106.3860 24.7920 90.7300 O.3 90 THR90 -0.2208
65 CG2 104.0600 25.4180 90.6040 C.3 90 THR90 0.0379
66 N 108.1460 26.0780 89.1790 N.am 91 THR91 -0.1936
67 CA 109.5710 26.3470 89.2350 C.3 91 THR91 0.2028
68 C 110.0930 26.8130 87.8720 C.2 91 THR91 0.2642
69 O 111.0200 27.6270 87.8020 O.2 91 THR91 -0.2714
70 CB 110.3390 25.0930 89.6890 C.3 91 THR91 0.1808
71 OG1 109.5070 24.3050 90.5550 O.3 91 THR91 -0.2208
72 CG2 111.6140 25.4790 90.4170 C.3 91 THR91 0.0379
73 N 109.4920 26.2960 86.7990 N.am 92 SER92 -0.1949
74 CA 109.8250 26.7110 85.4310 C.3 92 SER92 0.1924
75 C 109.5240 28.1970 85.1880 C.2 92 SER92 0.2314
76 O 110.2550 28.8740 84.4580 O.2 92 SER92 -0.2863
77 CB 109.0990 25.8380 84.3970 C.3 92 SER92 0.2116
78 OG 109.7780 24.6110 84.1800 O.3 92 SER92 -0.2180
79 N 103.8470 11.3010 83.3600 N.3 156 LYS156 -0.1231
80 CA 105.1760 10.6880 83.5240 C.3 156 LYS156 0.1693
81 C 106.2770 11.7430 83.5410 C.2 156 LYS156 0.2593
82 O 107.2150 11.6700 84.3410 O.2 156 LYS156 -0.2718
83 CB 105.4510 9.6650 82.4110 C.3 156 LYS156 0.0285
84 CG 104.7020 8.3490 82.5780 C.3 156 LYS156 0.0035
85 CD 105.0950 7.3080 81.5330 C.3 156 LYS156 0.0206
86 CE 104.3130 6.0150 81.7530 C.3 156 LYS156 0.1093
87 NZ 104.7370 4.9240 80.8370 N.3 156 LYS156 -0.1314
88 N 106.1380 12.7210 82.6510 N.am 157 THR157 -0.1939
89 CA 107.0090 13.8750 82.6030 C.3 157 THR157 0.2028
90 C 106.8610 14.7430 83.8550 C.2 157 THR157 0.2642
91 O 107.8480 14.9950 84.5510 O.2 157 THR157 -0.2714
92 CB 106.7340 14.6860 81.3390 C.3 157 THR157 0.1808
93 OG1 107.1510 13.9220 80.2020 O.3 157 THR157 -0.2208
94 CG2 107.4820 16.0040 81.3660 C.3 157 THR157 0.0379
95 N 105.6370 15.1850 84.1480 N.am 158 THR158 -0.1950
96 CA 105.3770 16.0130 85.3350 C.3 158 THR158 0.1897
97 C 105.8990 15.3540 86.6100 C.2 158 THR158 0.2313
98 O 106.5920 15.9930 87.4080 O.2 158 THR158 -0.2863
99 CB 103.8680 16.3870 85.4770 C.3 158 THR158 0.1794
100 OG1 103.5880 17.5470 84.6800 O.3 158 THR158 -0.2208
101 CG2 103.4910 16.6900 86.9290 C.3 158 THR158 0.0378
102 N 108.1830 12.9880 87.3140 N.3 160 SER160 -0.1202
103 CA 109.6080 12.7090 87.5300 C.3 160 SER160 0.2020
104 C 110.4220 13.9200 88.0090 C.2 160 SER160 0.2619
105 O 110.9110 14.7140 87.2070 O.2 160 SER160 -0.2717
106 CB 110.2370 12.0650 86.2900 C.3 160 SER160 0.2103
107 OG 109.8310 12.7280 85.1070 O.3 160 SER160 -0.2182
108 N 110.5550 14.0260 89.3310 N.am 161 SER161 -0.1937
109 CA 111.2300 15.1260 90.0420 C.3 161 SER161 0.2055
110 C 110.7140 15.1490 91.4820 C.2 161 SER161 0.2642
111 O 111.2990 15.7950 92.3600 O.2 161 SER161 -0.2714
112 CB 110.9910 16.4910 89.3830 C.3 161 SER161 0.2130
113 OG 109.6830 16.9720 89.6380 O.3 161 SER161 -0.2179
114 N 109.5960 14.4510 91.6940 N.am 162 LYS162 -0.1977
115 CA 109.0070 14.2350 93.0130 C.3 162 LYS162 0.1596
116 C 109.3650 12.8400 93.5280 C.2 162 LYS162 0.2287
117 O 110.0770 12.0900 92.8560 O.2 162 LYS162 -0.2864
118 CB 107.4900 14.4110 92.9490 C.3 162 LYS162 0.0298
119 CG 107.0370 15.8600 92.9420 C.3 162 LYS162 0.0038
120 CD 106.9870 16.4470 91.5390 C.3 162 LYS162 0.0206
121 CE 106.6500 17.9330 91.5890 C.3 162 LYS162 0.1093
122 NZ 106.0290 18.4210 90.3210 N.3 162 LYS162 -0.1314
123 N 106.6610 6.1640 88.6420 N.3 168 LYS168 -0.1245
124 CA 106.0980 7.0710 87.6440 C.3 168 LYS168 0.1561
125 C 104.9530 6.3980 86.9100 C.2 168 LYS168 0.2260
126 O 103.8020 6.8130 87.0350 O.2 168 LYS168 -0.2867
127 CB 107.1720 7.5320 86.6490 C.3 168 LYS168 0.0271
128 CG 106.5920 8.3210 85.4840 C.3 168 LYS168 0.0035
129 CD 107.6660 8.5800 84.4330 C.3 168 LYS168 0.0206
130 CE 108.6050 7.3880 84.3120 C.3 168 LYS168 0.1093
131 NZ 109.5510 7.5310 83.1690 N.3 168 LYS168 -0.1314
132 N 108.7970 18.3390 75.8620 N.3 401 GLY401 -0.1210
133 CA 109.6030 18.8150 76.9820 C.3 401 GLY401 0.1956
134 C 111.0330 18.3110 76.9270 C.2 401 GLY401 0.2612
135 O 111.5160 17.8980 75.8750 O.2 401 GLY401 -0.2717
136 N 111.7090 18.3420 78.0700 N.am 402 GLY402 -0.1942
137 CA 113.1030 17.9190 78.1580 C.3 402 GLY402 0.2014
138 C 114.0620 19.0090 77.7250 C.2 402 GLY402 0.2639
139 O 115.1700 18.7250 77.2600 O.2 402 GLY402 -0.2714
140 N 113.6310 20.2600 77.8810 N.am 403 GLY403 -0.1954
141 CA 114.4210 21.4150 77.4670 C.3 403 GLY403 0.1869
142 C 114.1690 21.8020 76.0220 C.2 403 GLY403 0.2309
143 O 114.4530 22.9260 75.6130 O.2 403 GLY403 -0.2863
144 N 111.6700 24.8480 75.3260 N.3 406 GLU406 -0.1245
145 CA 112.3830 26.1040 75.5770 C.3 406 GLU406 0.1567
146 C 113.4470 26.3920 74.5190 C.2 406 GLU406 0.2260
147 O 113.6450 27.5530 74.1440 O.2 406 GLU406 -0.2867
148 CB 112.9800 26.1940 76.9930 C.3 406 GLU406 0.0388
149 CG 113.0940 24.8890 77.7600 C.3 406 GLU406 0.1160
150 CD 111.8360 24.5510 78.5590 C.2 406 GLU406 0.3649
151 OE1 110.8920 25.3700 78.5580 O.co2 406 GLU406 -0.2457
152 OE2 111.7920 23.4650 79.1910 O.co2 406 GLU406 -0.2457
153 N 117.6020 27.4540 81.1110 N.3 438 LEU438 -0.1245
154 CA 116.6670 26.4540 81.6590 C.3 438 LEU438 0.1561
155 C 117.2090 25.0260 81.5560 C.2 438 LEU438 0.2260
156 O 117.4450 24.3950 82.5870 O.2 438 LEU438 -0.2867
157 CB 115.2630 26.5640 81.0290 C.3 438 LEU438 0.0270
158 CG 114.0550 26.9440 81.9010 C.3 438 LEU438 0.0019
159 CD1 113.0320 27.7390 81.1080 C.3 438 LEU438 0.0001
160 CD2 113.3960 25.7150 82.5260 C.3 438 LEU438 0.0001
161 N 118.4160 21.9740 84.3340 N.3 442 LEU442 -0.1245
162 CA 117.9480 20.6010 84.1820 C.3 442 LEU442 0.1561
163 C 119.1370 19.6670 84.2130 C.2 442 LEU442 0.2260
164 O 119.1820 18.7320 85.0100 O.2 442 LEU442 -0.2867
165 CB 117.1740 20.4270 82.8800 C.3 442 LEU442 0.0270
166 CG 115.7430 20.9530 82.8810 C.3 442 LEU442 0.0019
167 CD1 115.1690 20.9160 81.4820 C.3 442 LEU442 0.0001
168 CD2 114.8830 20.1490 83.8210 C.3 442 LEU442 0.0001
169 N 116.8240 16.5380 76.2810 N.3 470 LEU470 -0.1231
170 CA 117.9060 16.1340 77.1740 C.3 470 LEU470 0.1693
171 C 117.6630 14.8030 77.9050 C.2 470 LEU470 0.2592
172 O 116.8920 14.7480 78.8620 O.2 470 LEU470 -0.2718
173 CB 118.1810 17.2650 78.1710 C.3 470 LEU470 0.0284
174 CG 118.8890 18.5110 77.6330 C.3 470 LEU470 0.0019
175 CD1 118.1980 19.7820 78.0870 C.3 470 LEU470 0.0001
176 CD2 120.3430 18.5040 78.0560 C.3 470 LEU470 0.0001
177 N 118.3260 13.7370 77.4540 N.am 471 ASP471 -0.1960
178 CA 118.2730 12.4420 78.1480 C.3 471 ASP471 0.1840
179 C 118.9890 12.5640 79.4890 C.2 471 ASP471 0.2622
180 O 120.2000 12.3600 79.5890 O.2 471 ASP471 -0.2715
181 CB 118.8910 11.3220 77.2980 C.3 471 ASP471 0.1450
182 CG 118.6020 9.9230 77.8490 C.2 471 ASP471 0.3671
183 OD1 118.8130 9.6770 79.0590 O.co2 471 ASP471 -0.2456
184 OD2 118.1760 9.0550 77.0560 O.co2 471 ASP471 -0.2456
185 N 118.2160 12.8820 80.5190 N.am 472 LEU472 -0.1963
186 CA 118.7670 13.2870 81.8010 C.3 472 LEU472 0.1728
187 C 119.1280 12.1720 82.7740 C.2 472 LEU472 0.2616
188 O 119.1450 12.3840 83.9860 O.2 472 LEU472 -0.2715
189 CB 117.8350 14.3010 82.4580 C.3 472 LEU472 0.0311
190 CG 118.3230 15.7470 82.4640 C.3 472 LEU472 0.0022
191 CD1 119.3110 16.0410 81.3490 C.3 472 LEU472 0.0001
192 CD2 117.1390 16.6800 82.3890 C.3 472 LEU472 0.0001
193 N 119.4280 10.9920 82.2410 N.am 473 ASN473 -0.1972
194 CA 119.9560 9.8890 83.0410 C.3 473 ASN473 0.1688
195 C 121.2130 9.3280 82.4040 C.2 473 ASN473 0.2292
196 O 122.0600 8.7300 83.0760 O.2 473 ASN473 -0.2864
197 CB 118.9170 8.7800 83.1830 C.3 473 ASN473 0.1181
198 CG 117.7740 9.1600 84.1070 C.2 473 ASN473 0.2629
199 OD1 117.8990 10.0510 84.9550 O.2 473 ASN473 -0.2716
200 ND2 116.6460 8.4730 83.9500 N.am 473 ASN473 -0.0877
201 N 112.8970 13.2920 71.7860 N.3 480 MET480 -0.1245
202 CA 111.8750 13.4960 72.8070 C.3 480 MET480 0.1570
203 C 110.5150 12.9200 72.4520 C.2 480 MET480 0.2261
204 O 109.7430 12.5910 73.3470 O.2 480 MET480 -0.2867
205 CB 111.7410 14.9770 73.1530 C.3 480 MET480 0.0387
206 CG 112.9610 15.5780 73.8200 C.3 480 MET480 0.0595
207 SD 113.2820 14.9550 75.4800 S.3 480 MET480 -0.1393
208 CE 114.4300 13.6130 75.1820 C.3 480 MET480 0.0692
209 N 108.8280 12.4590 76.2590 N.3 485 ILE485 -0.1245
210 CA 108.8840 13.4920 77.2980 C.3 485 ILE485 0.1561
211 C 108.0290 14.6770 76.8500 C.2 485 ILE485 0.2260
212 O 108.5520 15.7380 76.5110 O.2 485 ILE485 -0.2867
213 CB 110.3410 13.9670 77.5940 C.3 485 ILE485 0.0252
214 CG1 111.3290 12.7930 77.6280 C.3 485 ILE485 0.0019
215 CG2 110.4050 14.7710 78.8880 C.3 485 ILE485 0.0019
216 CD1 111.4020 12.0420 78.9450 C.3 485 ILE485 0.0001
217 N 104.8960 17.6180 77.1660 N.3 487 GLU487 -0.1245
218 CA 104.2720 18.5410 78.1150 C.3 487 GLU487 0.1567
219 C 103.0590 19.2490 77.5120 C.2 487 GLU487 0.2260
220 O 102.7920 19.1340 76.3120 O.2 487 GLU487 -0.2867
221 CB 105.2900 19.5680 78.6150 C.3 487 GLU487 0.0388
222 CG 106.0250 19.1410 79.8650 C.3 487 GLU487 0.1160
223 CD 107.0890 20.1240 80.2720 C.2 487 GLU487 0.3649
224 OE1 107.9540 20.4450 79.4310 O.co2 487 GLU487 -0.2457
225 OE2 107.0620 20.5660 81.4370 O.co2 487 GLU487 -0.2457
226 N 100.8080 24.7810 79.3770 N.3 491 LEU491 -0.1231
227 CA 101.8440 24.9240 80.3760 C.3 491 LEU491 0.1693
228 C 102.8600 25.9230 79.8560 C.2 491 LEU491 0.2591
229 O 102.9380 27.0390 80.3580 O.2 491 LEU491 -0.2718
230 CB 102.5100 23.5800 80.6580 C.3 491 LEU491 0.0284
231 CG 103.2230 23.3640 81.9940 C.3 491 LEU491 0.0019
232 CD1 103.5200 21.8870 82.1710 C.3 491 LEU491 0.0001
233 CD2 104.5060 24.1690 82.0980 C.3 491 LEU491 0.0001
234 N 103.6080 25.5310 78.8290 N.am 492 LYS492 -0.1980
235 CA 104.7120 26.3460 78.3220 C.3 492 LYS492 0.1596
236 C 104.2940 27.7590 77.9090 C.2 492 LYS492 0.2287
237 O 104.9590 28.7310 78.2840 O.2 492 LYS492 -0.2864
238 CB 105.4500 25.6380 77.1800 C.3 492 LYS492 0.0298
239 CG 106.2110 24.3820 77.5980 C.3 492 LYS492 0.0038
240 CD 107.2870 24.6790 78.6340 C.3 492 LYS492 0.0206
241 CE 107.9970 23.4140 79.0660 C.3 492 LYS492 0.1093
242 NZ 108.9260 23.6590 80.2000 N.3 492 LYS492 -0.1314
@<TRIPOS>BOND
1 201 202 1
2 203 202 1
3 203 204 2
4 202 205 1
5 205 206 1
6 206 207 1
7 147 146 2
8 146 145 1
9 208 207 1
10 144 145 1
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