Mercurial > repos > chemteam > md_converter

comparison test-data/str2.pdb @ 9:ba83f0923369 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/mdfileconverter commit a6a1b0dc37ce54aae5e88dba50a1b8056739f443"
author chemteam
date Wed, 14 Jul 2021 11:15:09 +0000
parents acce5039ece7
children
comparison
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8:730ef07b90ae 9:ba83f0923369
1 TITLE VILLIN
2 REMARK THIS IS A SIMULATION BOX
3 CRYST1 32.155 32.155 56.863 90.00 90.00 120.00 P 1 1
4 MODEL 1
5 ATOM 1 N LEU 42 -7.400 9.810 7.910 1.00 0.00
6 ATOM 2 CA LEU 42 -6.430 9.300 6.990 1.00 0.00
7 ATOM 3 C LEU 42 -5.000 9.530 7.460 1.00 0.00
8 ATOM 4 O LEU 42 -4.810 10.440 8.270 1.00 0.00
9 ATOM 5 CB LEU 42 -6.590 10.070 5.640 1.00 0.00
10 ATOM 6 CG LEU 42 -7.880 9.860 4.870 1.00 0.00
11 ATOM 7 CD1 LEU 42 -7.950 10.790 3.650 1.00 0.00
12 ATOM 8 CD2 LEU 42 -7.970 8.420 4.420 1.00 0.00
13 ATOM 9 H1 LEU 42 -8.220 9.660 7.600 1.00 0.00
14 ATOM 10 H2 LEU 42 -7.270 10.690 8.020 1.00 0.00
15 ATOM 11 H3 LEU 42 -7.300 9.400 8.700 1.00 0.00
16 ATOM 12 HA LEU 42 -6.580 8.340 6.850 1.00 0.00
17 ATOM 13 HB2 LEU 42 -6.500 11.010 5.820 1.00 0.00
18 ATOM 14 HB3 LEU 42 -5.860 9.810 5.060 1.00 0.00
19 ATOM 15 HG LEU 42 -8.640 10.060 5.460 1.00 0.00
20 ATOM 16 1HD1 LEU 42 -7.900 11.700 3.940 1.00 0.00
21 ATOM 17 2HD1 LEU 42 -8.780 10.650 3.190 1.00 0.00
22 ATOM 18 3HD1 LEU 42 -7.220 10.600 3.060 1.00 0.00
23 ATOM 19 1HD2 LEU 42 -8.790 8.280 3.940 1.00 0.00
24 ATOM 20 2HD2 LEU 42 -7.950 7.840 5.190 1.00 0.00
25 ATOM 21 3HD2 LEU 42 -7.230 8.220 3.850 1.00 0.00
26 ATOM 22 N SER 43 -4.030 8.810 6.990 1.00 0.00
27 ATOM 23 CA SER 43 -2.630 9.120 7.220 1.00 0.00
28 ATOM 24 C SER 43 -2.330 10.450 6.540 1.00 0.00
29 ATOM 25 O SER 43 -3.050 10.930 5.650 1.00 0.00
30 ATOM 26 CB SER 43 -1.730 8.020 6.640 1.00 0.00
31 ATOM 27 OG SER 43 -1.810 8.070 5.250 1.00 0.00
32 ATOM 28 H SER 43 -4.230 8.120 6.520 1.00 0.00
33 ATOM 29 HA SER 43 -2.470 9.200 8.180 1.00 0.00
34 ATOM 30 HB2 SER 43 -0.810 8.160 6.930 1.00 0.00
35 ATOM 31 HB3 SER 43 -2.020 7.150 6.960 1.00 0.00
36 ATOM 32 HG SER 43 -1.330 7.490 4.930 1.00 0.00
37 ATOM 33 N ASP 44 -1.210 11.030 6.950 1.00 0.00
38 ATOM 34 CA ASP 44 -0.810 12.310 6.400 1.00 0.00
39 ATOM 35 C ASP 44 -0.480 12.120 4.920 1.00 0.00
40 ATOM 36 O ASP 44 -0.730 12.990 4.100 1.00 0.00
41 ATOM 37 CB ASP 44 0.290 13.000 7.190 1.00 0.00
42 ATOM 38 CG ASP 44 -0.160 13.580 8.530 1.00 0.00
43 ATOM 39 OD1 ASP 44 -1.380 13.540 8.740 1.00 0.00
44 ATOM 40 OD2 ASP 44 0.740 14.010 9.280 1.00 0.00
45 ATOM 41 H ASP 44 -0.720 10.640 7.540 1.00 0.00
46 ATOM 42 HA ASP 44 -1.600 12.900 6.440 1.00 0.00
47 ATOM 43 HB2 ASP 44 1.000 12.360 7.360 1.00 0.00
48 ATOM 44 HB3 ASP 44 0.660 13.720 6.650 1.00 0.00
49 ATOM 45 N GLU 45 0.100 10.940 4.610 1.00 0.00
50 ATOM 46 CA GLU 45 0.380 10.650 3.220 1.00 0.00
51 ATOM 47 C GLU 45 -0.890 10.540 2.380 1.00 0.00
52 ATOM 48 O GLU 45 -0.970 11.060 1.260 1.00 0.00
53 ATOM 49 CB GLU 45 1.250 9.380 3.100 1.00 0.00
54 ATOM 50 CB GLU 45 1.180 9.320 3.160 1.00 0.00
55 ATOM 51 CG GLU 45 2.730 9.690 3.270 1.00 0.00
56 ATOM 52 CG GLU 45 2.480 9.340 3.890 1.00 0.00
57 ATOM 53 CD GLU 45 3.280 10.600 2.200 1.00 0.00
58 ATOM 54 CD GLU 45 2.600 9.190 5.370 1.00 0.00
59 ATOM 55 OE1 GLU 45 3.360 10.200 1.010 1.00 0.00
60 ATOM 56 OE1 GLU 45 3.810 9.110 5.770 1.00 0.00
61 ATOM 57 OE2 GLU 45 3.670 11.750 2.510 1.00 0.00
62 ATOM 58 OE2 GLU 45 1.630 9.150 6.150 1.00 0.00
63 ATOM 59 H GLU 45 0.300 10.380 5.220 1.00 0.00
64 ATOM 60 HA GLU 45 0.900 11.400 2.860 1.00 0.00
65 ATOM 61 HB2 GLU 45 0.980 8.740 3.770 1.00 0.00
66 ATOM 62 HB2 GLU 45 0.630 8.610 3.540 1.00 0.00
67 ATOM 63 HB3 GLU 45 1.110 8.970 2.230 1.00 0.00
68 ATOM 64 HB3 GLU 45 1.340 9.090 2.230 1.00 0.00
69 ATOM 65 HG2 GLU 45 2.870 10.100 4.140 1.00 0.00
70 ATOM 66 HG2 GLU 45 3.020 8.630 3.490 1.00 0.00
71 ATOM 67 HG3 GLU 45 3.230 8.860 3.260 1.00 0.00
72 ATOM 68 HG3 GLU 45 2.910 10.180 3.660 1.00 0.00
73 ATOM 69 N ASP 46 -1.900 9.800 2.870 1.00 0.00
74 ATOM 70 CA ASP 46 -3.140 9.710 2.170 1.00 0.00
75 ATOM 71 C ASP 46 -3.810 11.070 2.040 1.00 0.00
76 ATOM 72 O ASP 46 -4.430 11.340 1.010 1.00 0.00
77 ATOM 73 CB ASP 46 -4.090 8.710 2.780 1.00 0.00
78 ATOM 74 CG ASP 46 -3.760 7.250 2.650 1.00 0.00
79 ATOM 75 OD1 ASP 46 -2.760 6.960 1.950 1.00 0.00
80 ATOM 76 OD2 ASP 46 -4.460 6.360 3.210 1.00 0.00
81 ATOM 77 H ASP 46 -1.800 9.380 3.620 1.00 0.00
82 ATOM 78 HA ASP 46 -2.940 9.400 1.260 1.00 0.00
83 ATOM 79 HB2 ASP 46 -4.160 8.910 3.730 1.00 0.00
84 ATOM 80 HB3 ASP 46 -4.970 8.850 2.400 1.00 0.00
85 ATOM 81 N PHE 47 -3.780 11.870 3.070 1.00 0.00
86 ATOM 82 CA PHE 47 -4.400 13.190 2.990 1.00 0.00
87 ATOM 83 C PHE 47 -3.820 14.000 1.860 1.00 0.00
88 ATOM 84 O PHE 47 -4.520 14.630 1.080 1.00 0.00
89 ATOM 85 CB PHE 47 -4.190 13.910 4.360 1.00 0.00
90 ATOM 86 CG PHE 47 -4.890 15.270 4.430 1.00 0.00
91 ATOM 87 CD1 PHE 47 -4.380 16.380 3.840 1.00 0.00
92 ATOM 88 CD2 PHE 47 -6.100 15.350 5.090 1.00 0.00
93 ATOM 89 CE1 PHE 47 -5.010 17.580 3.860 1.00 0.00
94 ATOM 90 CE2 PHE 47 -6.760 16.540 5.120 1.00 0.00
95 ATOM 91 CZ PHE 47 -6.240 17.650 4.500 1.00 0.00
96 ATOM 92 H PHE 47 -3.390 11.630 3.800 1.00 0.00
97 ATOM 93 HA PHE 47 -5.370 13.080 2.830 1.00 0.00
98 ATOM 94 HB2 PHE 47 -4.530 13.340 5.060 1.00 0.00
99 ATOM 95 HB3 PHE 47 -3.240 14.030 4.510 1.00 0.00
100 ATOM 96 HD1 PHE 47 -3.560 16.310 3.420 1.00 0.00
101 ATOM 97 HD2 PHE 47 -6.460 14.610 5.510 1.00 0.00
102 ATOM 98 HE1 PHE 47 -4.630 18.330 3.450 1.00 0.00
103 ATOM 99 HE2 PHE 47 -7.570 16.600 5.570 1.00 0.00
104 ATOM 100 HZ PHE 47 -6.720 18.450 4.500 1.00 0.00
105 ATOM 101 N LYS 48 -2.440 14.020 1.810 1.00 0.00
106 ATOM 102 CA LYS 48 -1.810 14.770 0.750 1.00 0.00
107 ATOM 103 C LYS 48 -2.190 14.230 -0.640 1.00 0.00
108 ATOM 104 O LYS 48 -2.340 15.010 -1.560 1.00 0.00
109 ATOM 105 CB LYS 48 -0.290 14.740 0.910 1.00 0.00
110 ATOM 106 CG LYS 48 0.500 15.490 -0.160 1.00 0.00
111 ATOM 107 CD LYS 48 2.000 15.460 0.010 1.00 0.00
112 ATOM 108 CE LYS 48 2.640 15.550 -1.370 1.00 0.00
113 ATOM 109 NZ LYS 48 4.120 15.430 -1.320 1.00 0.00
114 ATOM 110 H LYS 48 -1.970 13.600 2.390 1.00 0.00
115 ATOM 111 HA LYS 48 -2.110 15.700 0.820 1.00 0.00
116 ATOM 112 HB2 LYS 48 -0.070 15.120 1.770 1.00 0.00
117 ATOM 113 HB3 LYS 48 -0.000 13.820 0.910 1.00 0.00
118 ATOM 114 HG2 LYS 48 0.290 15.100 -1.030 1.00 0.00
119 ATOM 115 HG3 LYS 48 0.210 16.410 -0.180 1.00 0.00
120 ATOM 116 HD2 LYS 48 2.290 16.210 0.560 1.00 0.00
121 ATOM 117 HD3 LYS 48 2.270 14.640 0.450 1.00 0.00
122 ATOM 118 HE2 LYS 48 2.290 14.840 -1.930 1.00 0.00
123 ATOM 119 HE3 LYS 48 2.400 16.390 -1.780 1.00 0.00
124 ATOM 120 HZ1 LYS 48 4.450 15.450 -2.150 1.00 0.00
125 ATOM 121 HZ2 LYS 48 4.350 14.670 -0.930 1.00 0.00
126 ATOM 122 HZ3 LYS 48 4.460 16.120 -0.860 1.00 0.00
127 ATOM 123 N ALA 49 -2.300 12.930 -0.780 1.00 0.00
128 ATOM 124 CA ALA 49 -2.710 12.340 -2.050 1.00 0.00
129 ATOM 125 C ALA 49 -4.120 12.790 -2.420 1.00 0.00
130 ATOM 126 O ALA 49 -4.400 13.170 -3.570 1.00 0.00
131 ATOM 127 CB ALA 49 -2.640 10.830 -1.970 1.00 0.00
132 ATOM 128 H ALA 49 -2.130 12.420 -0.120 1.00 0.00
133 ATOM 129 HA ALA 49 -2.090 12.650 -2.750 1.00 0.00
134 ATOM 130 HB1 ALA 49 -1.750 10.560 -1.740 1.00 0.00
135 ATOM 131 HB2 ALA 49 -2.890 10.460 -2.810 1.00 0.00
136 ATOM 132 HB3 ALA 49 -3.250 10.520 -1.290 1.00 0.00
137 ATOM 133 N VAL 50 -5.040 12.700 -1.460 1.00 0.00
138 ATOM 134 CA VAL 50 -6.460 13.030 -1.750 1.00 0.00
139 ATOM 135 C VAL 50 -6.650 14.520 -2.040 1.00 0.00
140 ATOM 136 O VAL 50 -7.310 14.910 -3.030 1.00 0.00
141 ATOM 137 CB VAL 50 -7.370 12.560 -0.620 1.00 0.00
142 ATOM 138 CG1 VAL 50 -8.790 13.090 -0.800 1.00 0.00
143 ATOM 139 CG2 VAL 50 -7.410 11.010 -0.550 1.00 0.00
144 ATOM 140 H VAL 50 -4.810 12.450 -0.660 1.00 0.00
145 ATOM 141 HA VAL 50 -6.720 12.540 -2.560 1.00 0.00
146 ATOM 142 HB VAL 50 -7.020 12.890 0.230 1.00 0.00
147 ATOM 143 1HG1 VAL 50 -9.340 12.790 -0.070 1.00 0.00
148 ATOM 144 2HG1 VAL 50 -9.150 12.780 -1.630 1.00 0.00
149 ATOM 145 3HG1 VAL 50 -8.770 14.050 -0.800 1.00 0.00
150 ATOM 146 1HG2 VAL 50 -6.510 10.680 -0.440 1.00 0.00
151 ATOM 147 2HG2 VAL 50 -7.780 10.660 -1.370 1.00 0.00
152 ATOM 148 3HG2 VAL 50 -7.950 10.740 0.190 1.00 0.00
153 ATOM 149 N PHE 51 -6.050 15.380 -1.220 1.00 0.00
154 ATOM 150 CA PHE 51 -6.350 16.810 -1.320 1.00 0.00
155 ATOM 151 C PHE 51 -5.280 17.630 -2.050 1.00 0.00
156 ATOM 152 O PHE 51 -5.520 18.830 -2.260 1.00 0.00
157 ATOM 153 CB PHE 51 -6.540 17.400 0.140 1.00 0.00
158 ATOM 154 CG PHE 51 -7.800 16.780 0.760 1.00 0.00
159 ATOM 155 CD1 PHE 51 -9.030 17.180 0.300 1.00 0.00
160 ATOM 156 CD2 PHE 51 -7.750 15.830 1.740 1.00 0.00
161 ATOM 157 CE1 PHE 51 -10.200 16.640 0.790 1.00 0.00
162 ATOM 158 CE2 PHE 51 -8.920 15.250 2.280 1.00 0.00
163 ATOM 159 CZ PHE 51 -10.150 15.670 1.810 1.00 0.00
164 ATOM 160 H PHE 51 -5.490 15.100 -0.640 1.00 0.00
165 ATOM 161 HA PHE 51 -7.190 16.910 -1.800 1.00 0.00
166 ATOM 162 HB2 PHE 51 -5.760 17.190 0.680 1.00 0.00
167 ATOM 163 HB3 PHE 51 -6.630 18.360 0.090 1.00 0.00
168 ATOM 164 HD1 PHE 51 -9.080 17.840 -0.360 1.00 0.00
169 ATOM 165 HD2 PHE 51 -6.930 15.560 2.070 1.00 0.00
170 ATOM 166 HE1 PHE 51 -11.020 16.920 0.450 1.00 0.00
171 ATOM 167 HE2 PHE 51 -8.860 14.590 2.930 1.00 0.00
172 ATOM 168 HZ PHE 51 -10.940 15.330 2.160 1.00 0.00
173 ATOM 169 N GLY 52 -4.160 17.020 -2.400 1.00 0.00
174 ATOM 170 CA GLY 52 -3.150 17.730 -3.160 1.00 0.00
175 ATOM 171 C GLY 52 -2.340 18.750 -2.440 1.00 0.00
176 ATOM 172 O GLY 52 -1.710 19.620 -3.070 1.00 0.00
177 ATOM 173 H GLY 52 -4.030 16.200 -2.180 1.00 0.00
178 ATOM 174 HA2 GLY 52 -2.550 17.080 -3.540 1.00 0.00
179 ATOM 175 HA3 GLY 52 -3.590 18.180 -3.900 1.00 0.00
180 ATOM 176 N MET 53 -2.320 18.670 -1.100 1.00 0.00
181 ATOM 177 CA MET 53 -1.540 19.560 -0.260 1.00 0.00
182 ATOM 178 C MET 53 -1.480 18.930 1.120 1.00 0.00
183 ATOM 179 O MET 53 -2.280 18.010 1.410 1.00 0.00
184 ATOM 180 CB MET 53 -2.110 20.970 -0.230 1.00 0.00
185 ATOM 181 CG MET 53 -3.420 21.070 0.540 1.00 0.00
186 ATOM 182 SD MET 53 -4.170 22.710 0.460 1.00 0.00
187 ATOM 183 CE MET 53 -4.810 22.710 -1.190 1.00 0.00
188 ATOM 184 H MET 53 -2.800 18.060 -0.720 1.00 0.00
189 ATOM 185 HA MET 53 -0.630 19.600 -0.620 1.00 0.00
190 ATOM 186 HB2 MET 53 -1.460 21.570 0.170 1.00 0.00
191 ATOM 187 HB3 MET 53 -2.260 21.270 -1.140 1.00 0.00
192 ATOM 188 HG2 MET 53 -4.040 20.420 0.180 1.00 0.00
193 ATOM 189 HG3 MET 53 -3.250 20.840 1.470 1.00 0.00
194 ATOM 190 HE1 MET 53 -5.240 23.540 -1.370 1.00 0.00
195 ATOM 191 HE2 MET 53 -5.440 21.990 -1.290 1.00 0.00
196 ATOM 192 HE3 MET 53 -4.090 22.580 -1.810 1.00 0.00
197 ATOM 193 N THR 54 -0.580 19.400 1.950 1.00 0.00
198 ATOM 194 CA THR 54 -0.520 18.890 3.300 1.00 0.00
199 ATOM 195 C THR 54 -1.710 19.350 4.170 1.00 0.00
200 ATOM 196 O THR 54 -2.380 20.350 3.860 1.00 0.00
201 ATOM 197 CB THR 54 0.790 19.270 4.010 1.00 0.00
202 ATOM 198 OG1 THR 54 0.810 20.710 4.040 1.00 0.00
203 ATOM 199 CG2 THR 54 2.070 18.800 3.290 1.00 0.00
204 ATOM 200 H THR 54 -0.040 20.010 1.690 1.00 0.00
205 ATOM 201 HA THR 54 -0.550 17.910 3.250 1.00 0.00
206 ATOM 202 HB THR 54 0.790 18.930 4.920 1.00 0.00
207 ATOM 203 HG1 THR 54 1.490 20.960 4.420 1.00 0.00
208 ATOM 204 1HG2 THR 54 2.840 19.070 3.790 1.00 0.00
209 ATOM 205 2HG2 THR 54 2.100 19.190 2.410 1.00 0.00
210 ATOM 206 3HG2 THR 54 2.050 17.840 3.210 1.00 0.00
211 ATOM 207 N ARG 55 -1.890 18.680 5.280 1.00 0.00
212 ATOM 208 CA ARG 55 -2.840 19.160 6.290 1.00 0.00
213 ATOM 209 C ARG 55 -2.560 20.590 6.730 1.00 0.00
214 ATOM 210 O ARG 55 -3.490 21.360 6.900 1.00 0.00
215 ATOM 211 CB ARG 55 -2.780 18.310 7.530 1.00 0.00
216 ATOM 212 CG ARG 55 -3.220 16.900 7.410 1.00 0.00
217 ATOM 213 CD ARG 55 -3.400 16.380 8.870 1.00 0.00
218 ATOM 214 NE ARG 55 -3.610 14.950 8.600 1.00 0.00
219 ATOM 215 CZ ARG 55 -4.840 14.470 8.470 1.00 0.00
220 ATOM 216 NH1 ARG 55 -5.930 15.220 8.610 1.00 0.00
221 ATOM 217 NH2 ARG 55 -4.930 13.190 8.190 1.00 0.00
222 ATOM 218 H ARG 55 -1.460 17.960 5.410 1.00 0.00
223 ATOM 219 HA ARG 55 -3.740 19.110 5.920 1.00 0.00
224 ATOM 220 HB2 ARG 55 -1.870 18.310 7.860 1.00 0.00
225 ATOM 221 HB3 ARG 55 -3.330 18.730 8.220 1.00 0.00
226 ATOM 222 HG2 ARG 55 -4.060 16.840 6.930 1.00 0.00
227 ATOM 223 HG3 ARG 55 -2.550 16.370 6.950 1.00 0.00
228 ATOM 224 HD2 ARG 55 -2.610 16.530 9.410 1.00 0.00
229 ATOM 225 HD3 ARG 55 -4.180 16.780 9.300 1.00 0.00
230 ATOM 226 HE ARG 55 -2.930 14.430 8.520 1.00 0.00
231 ATOM 227 1HH1 ARG 55 -6.710 14.880 8.510 1.00 0.00
232 ATOM 228 2HH1 ARG 55 -5.860 16.060 8.790 1.00 0.00
233 ATOM 229 1HH2 ARG 55 -5.700 12.820 8.090 1.00 0.00
234 ATOM 230 2HH2 ARG 55 -4.210 12.720 8.110 1.00 0.00
235 ATOM 231 N SER 56 -1.280 20.890 6.920 1.00 0.00
236 ATOM 232 CA SER 56 -0.950 22.230 7.340 1.00 0.00
237 ATOM 233 C SER 56 -1.420 23.250 6.310 1.00 0.00
238 ATOM 234 O SER 56 -1.890 24.320 6.670 1.00 0.00
239 ATOM 235 CB SER 56 0.570 22.310 7.530 1.00 0.00
240 ATOM 236 CB SER 56 0.560 22.370 7.580 1.00 0.00
241 ATOM 237 OG SER 56 0.810 23.600 8.050 1.00 0.00
242 ATOM 238 OG SER 56 1.330 22.440 6.400 1.00 0.00
243 ATOM 239 H SER 56 -0.670 20.300 6.800 1.00 0.00
244 ATOM 240 HA SER 56 -1.390 22.410 8.200 1.00 0.00
245 ATOM 241 HB2 SER 56 0.880 21.630 8.150 1.00 0.00
246 ATOM 242 HB2 SER 56 0.720 23.170 8.110 1.00 0.00
247 ATOM 243 HB3 SER 56 1.030 22.190 6.690 1.00 0.00
248 ATOM 244 HB3 SER 56 0.860 21.610 8.100 1.00 0.00
249 ATOM 245 HG SER 56 0.570 24.160 7.500 1.00 0.00
250 ATOM 246 HG SER 56 1.210 21.770 5.960 1.00 0.00
251 ATOM 247 N ALA 57 -1.180 22.970 5.030 1.00 0.00
252 ATOM 248 CA ALA 57 -1.610 23.890 3.990 1.00 0.00
253 ATOM 249 C ALA 57 -3.100 24.060 3.980 1.00 0.00
254 ATOM 250 O ALA 57 -3.670 25.160 3.850 1.00 0.00
255 ATOM 251 CB ALA 57 -1.080 23.340 2.650 1.00 0.00
256 ATOM 252 H ALA 57 -0.780 22.240 4.820 1.00 0.00
257 ATOM 253 HA ALA 57 -1.190 24.760 4.150 1.00 0.00
258 ATOM 254 HB1 ALA 57 -0.130 23.240 2.690 1.00 0.00
259 ATOM 255 HB2 ALA 57 -1.310 23.940 1.940 1.00 0.00
260 ATOM 256 HB3 ALA 57 -1.480 22.480 2.480 1.00 0.00
261 ATOM 257 N PHE 58 -3.780 22.890 4.030 1.00 0.00
262 ATOM 258 CA PHE 58 -5.250 22.890 3.950 1.00 0.00
263 ATOM 259 C PHE 58 -5.890 23.700 5.060 1.00 0.00
264 ATOM 260 O PHE 58 -6.920 24.360 4.880 1.00 0.00
265 ATOM 261 CB PHE 58 -5.670 21.410 3.940 1.00 0.00
266 ATOM 262 CG PHE 58 -7.110 21.100 3.610 1.00 0.00
267 ATOM 263 CD1 PHE 58 -8.110 20.970 4.540 1.00 0.00
268 ATOM 264 CD2 PHE 58 -7.460 20.910 2.290 1.00 0.00
269 ATOM 265 CE1 PHE 58 -9.380 20.580 4.190 1.00 0.00
270 ATOM 266 CE2 PHE 58 -8.700 20.540 1.880 1.00 0.00
271 ATOM 267 CZ PHE 58 -9.680 20.380 2.860 1.00 0.00
272 ATOM 268 H PHE 58 -3.350 22.150 4.110 1.00 0.00
273 ATOM 269 HA PHE 58 -5.510 23.290 3.090 1.00 0.00
274 ATOM 270 HB2 PHE 58 -5.100 20.940 3.300 1.00 0.00
275 ATOM 271 HB3 PHE 58 -5.480 21.040 4.820 1.00 0.00
276 ATOM 272 HD1 PHE 58 -7.920 21.140 5.440 1.00 0.00
277 ATOM 273 HD2 PHE 58 -6.810 21.030 1.640 1.00 0.00
278 ATOM 274 HE1 PHE 58 -10.030 20.460 4.840 1.00 0.00
279 ATOM 275 HE2 PHE 58 -8.890 20.390 0.980 1.00 0.00
280 ATOM 276 HZ PHE 58 -10.540 20.140 2.620 1.00 0.00
281 ATOM 277 N ALA 59 -5.240 23.660 6.240 1.00 0.00
282 ATOM 278 CA ALA 59 -5.740 24.330 7.390 1.00 0.00
283 ATOM 279 C ALA 59 -5.720 25.860 7.250 1.00 0.00
284 ATOM 280 O ALA 59 -6.360 26.580 8.030 1.00 0.00
285 ATOM 281 CB ALA 59 -4.970 23.870 8.630 1.00 0.00
286 ATOM 282 H ALA 59 -4.510 23.210 6.300 1.00 0.00
287 ATOM 283 HA ALA 59 -6.680 24.060 7.510 1.00 0.00
288 ATOM 284 HB1 ALA 59 -5.010 22.910 8.690 1.00 0.00
289 ATOM 285 HB2 ALA 59 -5.370 24.260 9.420 1.00 0.00
290 ATOM 286 HB3 ALA 59 -4.060 24.160 8.560 1.00 0.00
291 ATOM 287 N ASN 60 -4.990 26.380 6.260 1.00 0.00
292 ATOM 288 CA ASN 60 -4.990 27.810 5.960 1.00 0.00
293 ATOM 289 C ASN 60 -6.160 28.260 5.070 1.00 0.00
294 ATOM 290 O ASN 60 -6.370 29.470 4.960 1.00 0.00
295 ATOM 291 CB ASN 60 -3.670 28.240 5.300 1.00 0.00
296 ATOM 292 CG ASN 60 -2.450 28.170 6.210 1.00 0.00
297 ATOM 293 OD1 ASN 60 -2.590 28.080 7.430 1.00 0.00
298 ATOM 294 ND2 ASN 60 -1.230 28.310 5.670 1.00 0.00
299 ATOM 295 H ASN 60 -4.500 25.850 5.780 1.00 0.00
300 ATOM 296 HA ASN 60 -5.070 28.280 6.810 1.00 0.00
301 ATOM 297 HB2 ASN 60 -3.500 27.680 4.530 1.00 0.00
302 ATOM 298 HB3 ASN 60 -3.760 29.150 4.990 1.00 0.00
303 ATOM 299 1HD2 ASN 60 -0.540 28.330 6.180 1.00 0.00
304 ATOM 300 2HD2 ASN 60 -1.140 28.380 4.820 1.00 0.00
305 ATOM 301 N LEU 61 -6.890 27.340 4.490 1.00 0.00
306 ATOM 302 CA LEU 61 -8.010 27.710 3.660 1.00 0.00
307 ATOM 303 C LEU 61 -9.160 28.160 4.530 1.00 0.00
308 ATOM 304 O LEU 61 -9.260 27.800 5.720 1.00 0.00
309 ATOM 305 CB LEU 61 -8.410 26.530 2.780 1.00 0.00
310 ATOM 306 CG LEU 61 -7.360 25.990 1.850 1.00 0.00
311 ATOM 307 CD1 LEU 61 -7.850 24.720 1.200 1.00 0.00
312 ATOM 308 CD2 LEU 61 -7.000 27.010 0.790 1.00 0.00
313 ATOM 309 H LEU 61 -6.700 26.510 4.610 1.00 0.00
314 ATOM 310 HA LEU 61 -7.740 28.450 3.090 1.00 0.00
315 ATOM 311 HB2 LEU 61 -8.700 25.810 3.360 1.00 0.00
316 ATOM 312 HB3 LEU 61 -9.180 26.800 2.250 1.00 0.00
317 ATOM 313 HG LEU 61 -6.550 25.780 2.370 1.00 0.00
318 ATOM 314 1HD1 LEU 61 -7.180 24.380 0.610 1.00 0.00
319 ATOM 315 2HD1 LEU 61 -8.650 24.900 0.710 1.00 0.00
320 ATOM 316 3HD1 LEU 61 -8.040 24.070 1.880 1.00 0.00
321 ATOM 317 1HD2 LEU 61 -6.320 26.640 0.210 1.00 0.00
322 ATOM 318 2HD2 LEU 61 -6.660 27.800 1.210 1.00 0.00
323 ATOM 319 3HD2 LEU 61 -7.780 27.220 0.270 1.00 0.00
324 ATOM 320 N PRO 62 -10.120 28.920 3.990 1.00 0.00
325 ATOM 321 CA PRO 62 -11.340 29.280 4.780 1.00 0.00
326 ATOM 322 C PRO 62 -12.000 28.050 5.330 1.00 0.00
327 ATOM 323 O PRO 62 -12.010 26.970 4.690 1.00 0.00
328 ATOM 324 CB PRO 62 -12.230 30.000 3.750 1.00 0.00
329 ATOM 325 CG PRO 62 -11.270 30.540 2.730 1.00 0.00
330 ATOM 326 CD PRO 62 -10.180 29.490 2.630 1.00 0.00
331 ATOM 327 HA PRO 62 -11.100 29.900 5.500 1.00 0.00
332 ATOM 328 HB2 PRO 62 -12.860 29.380 3.340 1.00 0.00
333 ATOM 329 HB3 PRO 62 -12.730 30.720 4.170 1.00 0.00
334 ATOM 330 HG2 PRO 62 -11.710 30.670 1.870 1.00 0.00
335 ATOM 331 HG3 PRO 62 -10.900 31.390 3.020 1.00 0.00
336 ATOM 332 HD2 PRO 62 -10.410 28.820 1.980 1.00 0.00
337 ATOM 333 HD3 PRO 62 -9.330 29.890 2.380 1.00 0.00
338 ATOM 334 N LEU 63 -12.590 28.160 6.490 1.00 0.00
339 ATOM 335 CA LEU 63 -13.210 26.990 7.100 1.00 0.00
340 ATOM 336 C LEU 63 -14.300 26.400 6.230 1.00 0.00
341 ATOM 337 O LEU 63 -14.430 25.180 6.140 1.00 0.00
342 ATOM 338 CB LEU 63 -13.750 27.300 8.490 1.00 0.00
343 ATOM 339 CG LEU 63 -12.720 27.850 9.470 1.00 0.00
344 ATOM 340 CD1 LEU 63 -13.270 27.930 10.890 1.00 0.00
345 ATOM 341 CD2 LEU 63 -11.430 27.030 9.480 1.00 0.00
346 ATOM 342 H LEU 63 -12.620 28.910 6.890 1.00 0.00
347 ATOM 343 HA LEU 63 -12.510 26.310 7.200 1.00 0.00
348 ATOM 344 HB2 LEU 63 -14.470 27.940 8.410 1.00 0.00
349 ATOM 345 HB3 LEU 63 -14.130 26.480 8.860 1.00 0.00
350 ATOM 346 HG LEU 63 -12.500 28.760 9.190 1.00 0.00
351 ATOM 347 1HD1 LEU 63 -12.600 28.280 11.480 1.00 0.00
352 ATOM 348 2HD1 LEU 63 -13.530 27.050 11.180 1.00 0.00
353 ATOM 349 3HD1 LEU 63 -14.040 28.500 10.900 1.00 0.00
354 ATOM 350 1HD2 LEU 63 -11.070 26.990 8.590 1.00 0.00
355 ATOM 351 2HD2 LEU 63 -11.610 26.150 9.800 1.00 0.00
356 ATOM 352 3HD2 LEU 63 -10.790 27.460 10.060 1.00 0.00
357 ATOM 353 N TRP 64 -15.140 27.210 5.630 1.00 0.00
358 ATOM 354 CA TRP 64 -16.210 26.690 4.790 1.00 0.00
359 ATOM 355 C TRP 64 -15.630 25.940 3.610 1.00 0.00
360 ATOM 356 O TRP 64 -16.220 24.980 3.100 1.00 0.00
361 ATOM 357 CB TRP 64 -17.200 27.740 4.300 1.00 0.00
362 ATOM 358 CB TRP 64 -17.070 27.880 4.300 1.00 0.00
363 ATOM 359 CG TRP 64 -16.500 28.720 3.430 1.00 0.00
364 ATOM 360 CG TRP 64 -18.030 28.190 5.430 1.00 0.00
365 ATOM 361 CD1 TRP 64 -15.960 29.930 3.770 1.00 0.00
366 ATOM 362 CD1 TRP 64 -17.800 29.050 6.460 1.00 0.00
367 ATOM 363 CD2 TRP 64 -16.260 28.550 2.030 1.00 0.00
368 ATOM 364 CD2 TRP 64 -19.330 27.640 5.650 1.00 0.00
369 ATOM 365 NE1 TRP 64 -15.390 30.570 2.720 1.00 0.00
370 ATOM 366 NE1 TRP 64 -18.870 29.080 7.300 1.00 0.00
371 ATOM 367 CE2 TRP 64 -15.570 29.710 1.620 1.00 0.00
372 ATOM 368 CE2 TRP 64 -19.830 28.220 6.820 1.00 0.00
373 ATOM 369 CE3 TRP 64 -16.580 27.520 1.130 1.00 0.00
374 ATOM 370 CE3 TRP 64 -20.110 26.720 4.950 1.00 0.00
375 ATOM 371 CZ2 TRP 64 -15.180 29.850 0.270 1.00 0.00
376 ATOM 372 CZ2 TRP 64 -21.090 27.900 7.320 1.00 0.00
377 ATOM 373 CZ3 TRP 64 -16.180 27.680 -0.190 1.00 0.00
378 ATOM 374 CZ3 TRP 64 -21.360 26.390 5.440 1.00 0.00
379 ATOM 375 CH2 TRP 64 -15.490 28.840 -0.590 1.00 0.00
380 ATOM 376 CH2 TRP 64 -21.840 26.980 6.610 1.00 0.00
381 ATOM 377 H TRP 64 -15.060 28.060 5.740 1.00 0.00
382 ATOM 378 HA TRP 64 -16.710 26.040 5.330 1.00 0.00
383 ATOM 379 HB2 TRP 64 -17.910 27.310 3.800 1.00 0.00
384 ATOM 380 HB2 TRP 64 -16.510 28.650 4.110 1.00 0.00
385 ATOM 381 HB3 TRP 64 -17.600 28.200 5.060 1.00 0.00
386 ATOM 382 HB3 TRP 64 -17.550 27.640 3.500 1.00 0.00
387 ATOM 383 HD1 TRP 64 -15.990 30.280 4.630 1.00 0.00
388 ATOM 384 HD1 TRP 64 -17.030 29.550 6.570 1.00 0.00
389 ATOM 385 HE1 TRP 64 -15.010 31.340 2.730 1.00 0.00
390 ATOM 386 HE1 TRP 64 -18.940 29.560 8.010 1.00 0.00
391 ATOM 387 HE3 TRP 64 -17.010 26.810 1.340 1.00 0.00
392 ATOM 388 HE3 TRP 64 -19.790 26.320 4.170 1.00 0.00
393 ATOM 389 HZ2 TRP 64 -14.700 30.690 0.050 1.00 0.00
394 ATOM 390 HZ2 TRP 64 -21.380 28.310 8.110 1.00 0.00
395 ATOM 391 HZ3 TRP 64 -16.320 27.150 -0.890 1.00 0.00
396 ATOM 392 HZ3 TRP 64 -21.920 25.800 5.040 1.00 0.00
397 ATOM 393 HH2 TRP 64 -15.190 29.070 -1.490 1.00 0.00
398 ATOM 394 HH2 TRP 64 -22.670 26.800 6.980 1.00 0.00
399 ATOM 395 N LYS 65 -14.490 26.390 3.130 1.00 0.00
400 ATOM 396 CA LYS 65 -13.840 25.750 1.970 1.00 0.00
401 ATOM 397 C LYS 65 -13.240 24.410 2.340 1.00 0.00
402 ATOM 398 O LYS 65 -13.320 23.450 1.600 1.00 0.00
403 ATOM 399 CB LYS 65 -12.800 26.650 1.350 1.00 0.00
404 ATOM 400 CG LYS 65 -12.320 26.140 0.010 1.00 0.00
405 ATOM 401 CD LYS 65 -11.810 27.210 -0.900 1.00 0.00
406 ATOM 402 CE LYS 65 -11.760 26.740 -2.340 1.00 0.00
407 ATOM 403 NZ LYS 65 -11.210 27.820 -3.170 1.00 0.00
408 ATOM 404 H LYS 65 -14.100 27.060 3.510 1.00 0.00
409 ATOM 405 HA LYS 65 -14.530 25.580 1.290 1.00 0.00
410 ATOM 406 HB2 LYS 65 -13.180 27.540 1.230 1.00 0.00
411 ATOM 407 HB3 LYS 65 -12.050 26.720 1.950 1.00 0.00
412 ATOM 408 HG2 LYS 65 -11.610 25.490 0.160 1.00 0.00
413 ATOM 409 HG3 LYS 65 -13.050 25.680 -0.430 1.00 0.00
414 ATOM 410 HD2 LYS 65 -12.380 27.990 -0.830 1.00 0.00
415 ATOM 411 HD3 LYS 65 -10.920 27.470 -0.620 1.00 0.00
416 ATOM 412 HE2 LYS 65 -11.190 25.960 -2.410 1.00 0.00
417 ATOM 413 HE3 LYS 65 -12.650 26.510 -2.650 1.00 0.00
418 ATOM 414 HZ1 LYS 65 -11.180 27.560 -4.020 1.00 0.00
419 ATOM 415 HZ2 LYS 65 -10.390 28.030 -2.900 1.00 0.00
420 ATOM 416 HZ3 LYS 65 -11.740 28.540 -3.100 1.00 0.00
421 ATOM 417 N GLN 66 -12.620 24.340 3.540 1.00 0.00
422 ATOM 418 CA GLN 66 -12.150 23.040 4.030 1.00 0.00
423 ATOM 419 C GLN 66 -13.310 22.060 4.110 1.00 0.00
424 ATOM 420 O GLN 66 -13.190 20.910 3.670 1.00 0.00
425 ATOM 421 CB GLN 66 -11.540 23.190 5.400 1.00 0.00
426 ATOM 422 CG GLN 66 -10.270 24.040 5.450 1.00 0.00
427 ATOM 423 CD GLN 66 -9.720 24.140 6.840 1.00 0.00
428 ATOM 424 OE1 GLN 66 -9.660 23.150 7.570 1.00 0.00
429 ATOM 425 NE2 GLN 66 -9.280 25.340 7.220 1.00 0.00
430 ATOM 426 H GLN 66 -12.490 25.050 4.010 1.00 0.00
431 ATOM 427 HA GLN 66 -11.470 22.680 3.420 1.00 0.00
432 ATOM 428 HB2 GLN 66 -12.200 23.590 5.990 1.00 0.00
433 ATOM 429 HB3 GLN 66 -11.340 22.310 5.740 1.00 0.00
434 ATOM 430 HG2 GLN 66 -9.600 23.640 4.870 1.00 0.00
435 ATOM 431 HG3 GLN 66 -10.460 24.930 5.110 1.00 0.00
436 ATOM 432 1HE2 GLN 66 -8.930 25.450 8.000 1.00 0.00
437 ATOM 433 2HE2 GLN 66 -9.330 26.010 6.680 1.00 0.00
438 ATOM 434 N GLN 67 -14.450 22.500 4.640 1.00 0.00
439 ATOM 435 CA GLN 67 -15.620 21.640 4.730 1.00 0.00
440 ATOM 436 C GLN 67 -16.060 21.190 3.340 1.00 0.00
441 ATOM 437 O GLN 67 -16.330 20.020 3.100 1.00 0.00
442 ATOM 438 CB GLN 67 -16.770 22.290 5.510 1.00 0.00
443 ATOM 439 CG GLN 67 -17.960 21.370 5.640 1.00 0.00
444 ATOM 440 CD GLN 67 -19.190 22.000 6.290 1.00 0.00
445 ATOM 441 OE1 GLN 67 -19.610 23.080 5.890 1.00 0.00
446 ATOM 442 NE2 GLN 67 -19.740 21.340 7.290 1.00 0.00
447 ATOM 443 H GLN 67 -14.500 23.310 4.930 1.00 0.00
448 ATOM 444 HA GLN 67 -15.360 20.830 5.230 1.00 0.00
449 ATOM 445 HB2 GLN 67 -16.450 22.530 6.400 1.00 0.00
450 ATOM 446 HB3 GLN 67 -17.040 23.100 5.060 1.00 0.00
451 ATOM 447 HG2 GLN 67 -18.210 21.060 4.750 1.00 0.00
452 ATOM 448 HG3 GLN 67 -17.700 20.590 6.160 1.00 0.00
453 ATOM 449 1HE2 GLN 67 -20.430 21.660 7.690 1.00 0.00
454 ATOM 450 2HE2 GLN 67 -19.410 20.590 7.540 1.00 0.00
455 ATOM 451 N HIS 68 -16.170 22.130 2.420 1.00 0.00
456 ATOM 452 CA HIS 68 -16.580 21.830 1.050 1.00 0.00
457 ATOM 453 C HIS 68 -15.660 20.830 0.390 1.00 0.00
458 ATOM 454 O HIS 68 -16.110 19.870 -0.230 1.00 0.00
459 ATOM 455 CB HIS 68 -16.500 23.120 0.220 1.00 0.00
460 ATOM 456 CB HIS 68 -16.710 23.130 0.260 1.00 0.00
461 ATOM 457 CG HIS 68 -16.360 23.110 -1.270 1.00 0.00
462 ATOM 458 CG HIS 68 -17.490 22.690 -0.940 1.00 0.00
463 ATOM 459 ND1 HIS 68 -15.360 23.470 -2.140 1.00 0.00
464 ATOM 460 ND1 HIS 68 -17.090 23.010 -2.210 1.00 0.00
465 ATOM 461 CD2 HIS 68 -17.320 22.630 -2.110 1.00 0.00
466 ATOM 462 CD2 HIS 68 -18.570 21.920 -1.100 1.00 0.00
467 ATOM 463 CE1 HIS 68 -15.660 23.290 -3.400 1.00 0.00
468 ATOM 464 CE1 HIS 68 -17.960 22.490 -3.060 1.00 0.00
469 ATOM 465 NE2 HIS 68 -16.880 22.780 -3.390 1.00 0.00
470 ATOM 466 NE2 HIS 68 -18.910 21.800 -2.400 1.00 0.00
471 ATOM 467 H HIS 68 -16.000 22.950 2.630 1.00 0.00
472 ATOM 468 HA HIS 68 -17.490 21.490 1.050 1.00 0.00
473 ATOM 469 HB2 HIS 68 -17.300 23.630 0.420 1.00 0.00
474 ATOM 470 HB2 HIS 68 -17.190 23.810 0.770 1.00 0.00
475 ATOM 471 HB3 HIS 68 -15.750 23.630 0.560 1.00 0.00
476 ATOM 472 HB3 HIS 68 -15.840 23.480 0.010 1.00 0.00
477 ATOM 473 HD1 HIS 68 -14.610 23.780 -1.880 1.00 0.00
478 ATOM 474 HD1 HIS 68 -16.400 23.470 -2.430 1.00 0.00
479 ATOM 475 HD2 HIS 68 -18.140 22.270 -1.850 1.00 0.00
480 ATOM 476 HD2 HIS 68 -19.030 21.520 -0.400 1.00 0.00
481 ATOM 477 HE1 HIS 68 -15.130 23.470 -4.150 1.00 0.00
482 ATOM 478 HE1 HIS 68 -17.930 22.590 -3.980 1.00 0.00
483 ATOM 479 N LEU 69 -14.350 21.050 0.490 1.00 0.00
484 ATOM 480 CA LEU 69 -13.420 20.190 -0.210 1.00 0.00
485 ATOM 481 C LEU 69 -13.470 18.790 0.350 1.00 0.00
486 ATOM 482 O LEU 69 -13.360 17.800 -0.400 1.00 0.00
487 ATOM 483 CB LEU 69 -11.990 20.780 -0.170 1.00 0.00
488 ATOM 484 CG LEU 69 -11.770 22.080 -0.980 1.00 0.00
489 ATOM 485 CD1 LEU 69 -10.420 22.710 -0.640 1.00 0.00
490 ATOM 486 CD2 LEU 69 -11.920 21.880 -2.460 1.00 0.00
491 ATOM 487 H LEU 69 -14.060 21.710 0.970 1.00 0.00
492 ATOM 488 HA LEU 69 -13.700 20.150 -1.150 1.00 0.00
493 ATOM 489 HB2 LEU 69 -11.760 20.960 0.750 1.00 0.00
494 ATOM 490 HB3 LEU 69 -11.380 20.110 -0.500 1.00 0.00
495 ATOM 491 HG LEU 69 -12.460 22.720 -0.710 1.00 0.00
496 ATOM 492 1HD1 LEU 69 -10.350 22.820 0.320 1.00 0.00
497 ATOM 493 2HD1 LEU 69 -10.340 23.560 -1.060 1.00 0.00
498 ATOM 494 3HD1 LEU 69 -9.710 22.130 -0.940 1.00 0.00
499 ATOM 495 1HD2 LEU 69 -12.780 21.480 -2.640 1.00 0.00
500 ATOM 496 2HD2 LEU 69 -11.230 21.290 -2.770 1.00 0.00
501 ATOM 497 3HD2 LEU 69 -11.850 22.720 -2.910 1.00 0.00
502 ATOM 498 N LYS 70 -13.600 18.670 1.650 1.00 0.00
503 ATOM 499 CA LYS 70 -13.730 17.360 2.260 1.00 0.00
504 ATOM 500 C LYS 70 -15.030 16.660 1.830 1.00 0.00
505 ATOM 501 O LYS 70 -15.040 15.490 1.420 1.00 0.00
506 ATOM 502 CB LYS 70 -13.640 17.420 3.780 1.00 0.00
507 ATOM 503 CG LYS 70 -12.240 17.730 4.230 1.00 0.00
508 ATOM 504 CD LYS 70 -12.070 17.610 5.710 1.00 0.00
509 ATOM 505 CE LYS 70 -10.970 16.780 6.230 1.00 0.00
510 ATOM 506 NZ LYS 70 -10.790 17.210 7.640 1.00 0.00
511 ATOM 507 H LYS 70 -13.620 19.380 2.150 1.00 0.00
512 ATOM 508 HA LYS 70 -12.980 16.820 1.940 1.00 0.00
513 ATOM 509 HB2 LYS 70 -14.240 18.100 4.110 1.00 0.00
514 ATOM 510 HB3 LYS 70 -13.910 16.560 4.150 1.00 0.00
515 ATOM 511 HG2 LYS 70 -11.620 17.120 3.790 1.00 0.00
516 ATOM 512 HG3 LYS 70 -12.010 18.630 3.960 1.00 0.00
517 ATOM 513 HD2 LYS 70 -11.970 18.500 6.060 1.00 0.00
518 ATOM 514 HD3 LYS 70 -12.900 17.250 6.060 1.00 0.00
519 ATOM 515 HE2 LYS 70 -11.200 15.840 6.180 1.00 0.00
520 ATOM 516 HE3 LYS 70 -10.160 16.930 5.720 1.00 0.00
521 ATOM 517 HZ1 LYS 70 -10.130 16.740 8.010 1.00 0.00
522 ATOM 518 HZ2 LYS 70 -11.540 17.070 8.090 1.00 0.00
523 ATOM 519 HZ3 LYS 70 -10.580 18.080 7.660 1.00 0.00
524 ATOM 520 N LYS 71 -16.150 17.370 1.870 1.00 0.00
525 ATOM 521 CA LYS 71 -17.420 16.760 1.470 1.00 0.00
526 ATOM 522 C LYS 71 -17.390 16.350 -0.010 1.00 0.00
527 ATOM 523 O LYS 71 -17.960 15.320 -0.360 1.00 0.00
528 ATOM 524 CB LYS 71 -18.580 17.690 1.830 1.00 0.00
529 ATOM 525 CG LYS 71 -18.750 17.720 3.380 1.00 0.00
530 ATOM 526 CD LYS 71 -19.960 18.420 3.930 1.00 0.00
531 ATOM 527 CE LYS 71 -20.270 18.230 5.410 1.00 0.00
532 ATOM 528 NZ LYS 71 -21.650 18.770 5.670 1.00 0.00
533 ATOM 529 H LYS 71 -16.130 18.190 2.140 1.00 0.00
534 ATOM 530 HA LYS 71 -17.530 15.940 1.990 1.00 0.00
535 ATOM 531 HB2 LYS 71 -18.390 18.590 1.510 1.00 0.00
536 ATOM 532 HB3 LYS 71 -19.390 17.380 1.410 1.00 0.00
537 ATOM 533 HG2 LYS 71 -18.770 16.800 3.690 1.00 0.00
538 ATOM 534 HG3 LYS 71 -17.960 18.140 3.760 1.00 0.00
539 ATOM 535 HD2 LYS 71 -19.850 19.370 3.770 1.00 0.00
540 ATOM 536 HD3 LYS 71 -20.730 18.120 3.430 1.00 0.00
541 ATOM 537 HE2 LYS 71 -20.230 17.290 5.640 1.00 0.00
542 ATOM 538 HE3 LYS 71 -19.620 18.700 5.950 1.00 0.00
543 ATOM 539 HZ1 LYS 71 -21.850 18.670 6.530 1.00 0.00
544 ATOM 540 HZ2 LYS 71 -22.240 18.330 5.170 1.00 0.00
545 ATOM 541 HZ3 LYS 71 -21.670 19.640 5.450 1.00 0.00
546 ATOM 542 N GLU 72 -16.800 17.160 -0.860 1.00 0.00
547 ATOM 543 CA GLU 72 -16.700 16.810 -2.260 1.00 0.00
548 ATOM 544 C GLU 72 -15.960 15.490 -2.480 1.00 0.00
549 ATOM 545 O GLU 72 -16.240 14.820 -3.470 1.00 0.00
550 ATOM 546 CB GLU 72 -16.020 17.920 -3.060 1.00 0.00
551 ATOM 547 CG GLU 72 -16.870 19.140 -3.380 1.00 0.00
552 ATOM 548 CD GLU 72 -18.050 18.820 -4.260 1.00 0.00
553 ATOM 549 OE1 GLU 72 -19.260 19.050 -3.890 1.00 0.00
554 ATOM 550 OE2 GLU 72 -17.820 18.300 -5.390 1.00 0.00
555 ATOM 551 H GLU 72 -16.460 17.900 -0.580 1.00 0.00
556 ATOM 552 HA GLU 72 -17.610 16.700 -2.610 1.00 0.00
557 ATOM 553 HB2 GLU 72 -15.240 18.210 -2.570 1.00 0.00
558 ATOM 554 HB3 GLU 72 -15.720 17.540 -3.900 1.00 0.00
559 ATOM 555 HG2 GLU 72 -17.190 19.530 -2.550 1.00 0.00
560 ATOM 556 HG3 GLU 72 -16.320 19.810 -3.820 1.00 0.00
561 ATOM 557 N LYS 73 -15.040 15.140 -1.590 1.00 0.00
562 ATOM 558 CA LYS 73 -14.240 13.930 -1.670 1.00 0.00
563 ATOM 559 C LYS 73 -14.880 12.820 -0.810 1.00 0.00
564 ATOM 560 O LYS 73 -14.330 11.730 -0.640 1.00 0.00
565 ATOM 561 CB LYS 73 -12.790 14.190 -1.280 1.00 0.00
566 ATOM 562 CG LYS 73 -11.930 15.020 -2.210 1.00 0.00
567 ATOM 563 CD LYS 73 -11.550 14.310 -3.480 1.00 0.00
568 ATOM 564 CE LYS 73 -10.650 15.130 -4.410 1.00 0.00
569 ATOM 565 NZ LYS 73 -11.350 16.260 -5.010 1.00 0.00
570 ATOM 566 H LYS 73 -14.910 15.660 -0.920 1.00 0.00
571 ATOM 567 HA LYS 73 -14.250 13.620 -2.600 1.00 0.00
572 ATOM 568 HB2 LYS 73 -12.790 14.630 -0.410 1.00 0.00
573 ATOM 569 HB3 LYS 73 -12.360 13.330 -1.160 1.00 0.00
574 ATOM 570 HG2 LYS 73 -12.410 15.830 -2.430 1.00 0.00
575 ATOM 571 HG3 LYS 73 -11.120 15.270 -1.740 1.00 0.00
576 ATOM 572 HD2 LYS 73 -11.100 13.490 -3.250 1.00 0.00
577 ATOM 573 HD3 LYS 73 -12.370 14.080 -3.960 1.00 0.00
578 ATOM 574 HE2 LYS 73 -9.890 15.450 -3.910 1.00 0.00
579 ATOM 575 HE3 LYS 73 -10.320 14.550 -5.120 1.00 0.00
580 ATOM 576 HZ1 LYS 73 -10.800 16.690 -5.550 1.00 0.00
581 ATOM 577 HZ2 LYS 73 -11.630 16.810 -4.370 1.00 0.00
582 ATOM 578 HZ3 LYS 73 -12.050 15.960 -5.480 1.00 0.00
583 ATOM 579 N GLY 74 -16.080 13.040 -0.280 1.00 0.00
584 ATOM 580 CA GLY 74 -16.750 12.060 0.530 1.00 0.00
585 ATOM 581 C GLY 74 -16.220 11.820 1.940 1.00 0.00
586 ATOM 582 O GLY 74 -16.580 10.750 2.490 1.00 0.00
587 ATOM 583 H GLY 74 -16.460 13.800 -0.420 1.00 0.00
588 ATOM 584 HA2 GLY 74 -17.680 12.320 0.600 1.00 0.00
589 ATOM 585 HA3 GLY 74 -16.730 11.210 0.050 1.00 0.00
590 ATOM 586 N LEU 75 -15.490 12.790 2.470 1.00 0.00
591 ATOM 587 CA LEU 75 -14.840 12.800 3.790 1.00 0.00
592 ATOM 588 C LEU 75 -15.430 13.870 4.700 1.00 0.00
593 ATOM 589 O LEU 75 -16.180 14.760 4.250 1.00 0.00
594 ATOM 590 CB LEU 75 -13.310 12.990 3.650 1.00 0.00
595 ATOM 591 CG LEU 75 -12.600 11.880 2.870 1.00 0.00
596 ATOM 592 CD1 LEU 75 -11.300 12.230 2.170 1.00 0.00
597 ATOM 593 CD2 LEU 75 -12.240 10.750 3.870 1.00 0.00
598 ATOM 594 H LEU 75 -15.400 13.500 1.990 1.00 0.00
599 ATOM 595 HA LEU 75 -15.000 11.930 4.210 1.00 0.00
600 ATOM 596 HB2 LEU 75 -13.140 13.830 3.210 1.00 0.00
601 ATOM 597 HB3 LEU 75 -12.920 13.040 4.540 1.00 0.00
602 ATOM 598 HG LEU 75 -13.230 11.520 2.210 1.00 0.00
603 ATOM 599 1HD1 LEU 75 -10.980 11.460 1.690 1.00 0.00
604 ATOM 600 2HD1 LEU 75 -10.650 12.500 2.820 1.00 0.00
605 ATOM 601 3HD1 LEU 75 -11.460 12.940 1.550 1.00 0.00
606 ATOM 602 1HD2 LEU 75 -13.020 10.490 4.360 1.00 0.00
607 ATOM 603 2HD2 LEU 75 -11.560 11.070 4.480 1.00 0.00
608 ATOM 604 3HD2 LEU 75 -11.890 10.000 3.380 1.00 0.00
609 ATOM 605 N PHE 76 -15.100 13.790 5.990 1.00 0.00
610 ATOM 606 CA PHE 76 -15.670 14.560 7.080 1.00 0.00
611 ATOM 607 C PHE 76 -14.600 15.450 7.690 1.00 0.00
612 ATOM 608 O PHE 76 -13.480 14.930 7.600 1.00 0.00
613 ATOM 609 CB PHE 76 -16.180 13.660 8.210 1.00 0.00
614 ATOM 610 CB PHE 76 -16.210 13.720 8.220 1.00 0.00
615 ATOM 611 CG PHE 76 -17.350 12.790 7.800 1.00 0.00
616 ATOM 612 CG PHE 76 -17.230 12.630 8.170 1.00 0.00
617 ATOM 613 CD1 PHE 76 -17.390 11.450 8.140 1.00 0.00
618 ATOM 614 CD1 PHE 76 -16.820 11.300 8.290 1.00 0.00
619 ATOM 615 CD2 PHE 76 -18.380 13.360 7.070 1.00 0.00
620 ATOM 616 CD2 PHE 76 -18.590 12.860 8.010 1.00 0.00
621 ATOM 617 CE1 PHE 76 -18.470 10.680 7.770 1.00 0.00
622 ATOM 618 CE1 PHE 76 -17.700 10.240 8.270 1.00 0.00
623 ATOM 619 CE2 PHE 76 -19.460 12.580 6.670 1.00 0.00
624 ATOM 620 CE2 PHE 76 -19.480 11.800 8.000 1.00 0.00
625 ATOM 621 CZ PHE 76 -19.480 11.250 7.020 1.00 0.00
626 ATOM 622 CZ PHE 76 -19.060 10.490 8.140 1.00 0.00
627 ATOM 623 OXT PHE 76 -14.900 16.490 8.300 1.00 0.00
628 ATOM 624 H PHE 76 -14.490 13.230 6.200 1.00 0.00
629 ATOM 625 HA PHE 76 -16.410 15.110 6.740 1.00 0.00
630 ATOM 626 HB2 PHE 76 -15.450 13.090 8.510 1.00 0.00
631 ATOM 627 HB2 PHE 76 -15.430 13.320 8.630 1.00 0.00
632 ATOM 628 HB3 PHE 76 -16.440 14.220 8.960 1.00 0.00
633 ATOM 629 HB3 PHE 76 -16.560 14.360 8.860 1.00 0.00
634 ATOM 630 HD1 PHE 76 -16.700 11.080 8.630 1.00 0.00
635 ATOM 631 HD1 PHE 76 -15.910 11.130 8.400 1.00 0.00
636 ATOM 632 HD2 PHE 76 -18.350 14.260 6.840 1.00 0.00
637 ATOM 633 HD2 PHE 76 -18.900 13.730 7.910 1.00 0.00
638 ATOM 634 HE1 PHE 76 -18.510 9.780 8.020 1.00 0.00
639 ATOM 635 HE1 PHE 76 -17.380 9.370 8.350 1.00 0.00
640 ATOM 636 HE2 PHE 76 -20.160 12.950 6.180 1.00 0.00
641 ATOM 637 HE2 PHE 76 -20.390 11.980 7.890 1.00 0.00
642 ATOM 638 HZ PHE 76 -20.200 10.720 6.750 1.00 0.00
643 ATOM 639 HZ PHE 76 -19.670 9.800 8.150 1.00 0.00
644 ATOM 640 S SO4 77 -9.080 13.780 7.260 1.00 0.00
645 ATOM 641 S SO4 77 -9.780 12.830 6.870 1.00 0.00
646 ATOM 642 O1 SO4 77 -9.110 13.700 5.770 1.00 0.00
647 ATOM 643 O1 SO4 77 -10.260 11.520 7.200 1.00 0.00
648 ATOM 644 O2 SO4 77 -7.900 12.930 7.630 1.00 0.00
649 ATOM 645 O2 SO4 77 -10.780 13.900 7.100 1.00 0.00
650 ATOM 646 O3 SO4 77 -10.530 13.790 7.470 1.00 0.00
651 ATOM 647 O3 SO4 77 -9.640 13.030 5.430 1.00 0.00
652 ATOM 648 O4 SO4 77 -8.650 15.090 7.690 1.00 0.00
653 ATOM 649 O4 SO4 77 -8.490 12.860 7.590 1.00 0.00
654 ATOM 650 C ACT 80 -14.900 33.440 4.740 1.00 0.00
655 ATOM 651 C ACT 80 -14.420 31.170 6.910 1.00 0.00
656 ATOM 652 C ACT 80 -14.540 31.030 6.880 1.00 0.00
657 ATOM 653 O ACT 80 -16.130 33.900 4.730 1.00 0.00
658 ATOM 654 O ACT 80 -13.190 30.820 7.380 1.00 0.00
659 ATOM 655 O ACT 80 -14.990 32.240 6.840 1.00 0.00
660 ATOM 656 OXT ACT 80 -14.130 33.890 3.870 1.00 0.00
661 ATOM 657 OXT ACT 80 -15.280 31.160 7.800 1.00 0.00
662 ATOM 658 OXT ACT 80 -13.340 30.790 7.070 1.00 0.00
663 ATOM 659 CH3 ACT 80 -14.420 32.560 5.850 1.00 0.00
664 ATOM 660 CH3 ACT 80 -14.850 30.250 5.760 1.00 0.00
665 ATOM 661 CH3 ACT 80 -15.560 29.900 7.060 1.00 0.00
666 ATOM 662 H1 ACT 80 -15.160 32.330 6.420 1.00 0.00
667 ATOM 663 H1 ACT 80 -14.170 30.240 5.080 1.00 0.00
668 ATOM 664 H1 ACT 80 -16.440 30.230 6.870 1.00 0.00
669 ATOM 665 H2 ACT 80 -13.760 33.030 6.370 1.00 0.00
670 ATOM 666 H2 ACT 80 -15.670 30.570 5.380 1.00 0.00
671 ATOM 667 H2 ACT 80 -15.530 29.590 7.970 1.00 0.00
672 ATOM 668 H3 ACT 80 -14.040 31.760 5.490 1.00 0.00
673 ATOM 669 H3 ACT 80 -14.970 29.360 6.090 1.00 0.00
674 ATOM 670 H3 ACT 80 -15.350 29.180 6.460 1.00 0.00
675 ATOM 671 O HOH 1001 -0.550 5.880 4.300 1.00 0.00
676 ATOM 672 O HOH 1002 -11.600 30.460 7.940 1.00 0.00
677 ATOM 673 O HOH 1002 -15.100 33.300 1.810 1.00 0.00
678 ATOM 674 O HOH 1003 0.820 18.870 7.480 1.00 0.00
679 ATOM 675 O HOH 1004 -14.090 23.270 8.270 1.00 0.00
680 ATOM 676 O HOH 1005 -9.690 18.840 -3.490 1.00 0.00
681 ATOM 677 O HOH 1006 -6.010 20.260 7.550 1.00 0.00
682 ATOM 678 O HOH 1007 -15.080 13.470 -5.430 1.00 0.00
683 ATOM 679 O HOH 1008 -0.430 15.880 4.970 1.00 0.00
684 ATOM 680 O HOH 1009 -12.240 18.320 -2.980 1.00 0.00
685 ATOM 681 O HOH 1010 -8.250 29.240 7.920 1.00 0.00
686 ATOM 682 O HOH 1011 -19.850 13.740 1.270 1.00 0.00
687 ATOM 683 O HOH 1012 -0.190 18.940 -5.280 1.00 0.00
688 ATOM 684 O HOH 1013 -0.620 7.040 0.400 1.00 0.00
689 ATOM 685 O HOH 1014 -16.480 18.570 7.440 1.00 0.00
690 ATOM 686 O HOH 1015 -8.110 31.590 4.200 1.00 0.00
691 ATOM 687 O HOH 1016 -4.950 6.420 5.630 1.00 0.00
692 ATOM 688 O HOH 1017 1.070 11.300 -0.700 1.00 0.00
693 ATOM 689 O HOH 1018 -7.880 20.180 -1.840 1.00 0.00
694 ATOM 690 O HOH 1019 -8.790 32.550 1.610 1.00 0.00
695 ATOM 691 O HOH 1020 -7.960 25.730 9.960 1.00 0.00
696 ATOM 692 O HOH 1021 -2.300 12.670 11.240 1.00 0.00
697 ATOM 693 O HOH 1022 -1.680 25.950 8.830 1.00 0.00
698 ATOM 694 O HOH 1023 -3.000 4.310 5.860 1.00 0.00
699 ATOM 695 O HOH 1024 -19.080 13.500 4.000 1.00 0.00
700 ATOM 696 O HOH 1025 0.280 10.140 9.220 1.00 0.00
701 ATOM 697 O HOH 1026 -12.420 14.450 10.060 1.00 0.00
702 ATOM 698 O HOH 1027 1.250 28.290 7.090 1.00 0.00
703 ATOM 699 O HOH 1028 -13.590 15.290 -6.220 1.00 0.00
704 ATOM 700 O HOH 1029 -7.850 22.400 -3.430 1.00 0.00
705 ATOM 701 O HOH 1030 -13.400 19.390 -5.200 1.00 0.00
706 ATOM 702 O HOH 1031 0.250 17.100 9.430 1.00 0.00
707 ATOM 703 O HOH 1032 1.040 12.760 -3.150 1.00 0.00
708 ATOM 704 O HOH 1033 3.430 19.850 7.600 1.00 0.00
709 ATOM 705 O HOH 1034 -14.760 20.660 8.330 1.00 0.00
710 ATOM 706 O HOH 1035 0.570 21.250 -6.830 1.00 0.00
711 ATOM 707 O HOH 1036 -0.530 14.950 -3.540 1.00 0.00
712 ATOM 708 O HOH 1037 -7.610 17.050 -4.660 1.00 0.00
713 ATOM 709 O HOH 1038 -8.990 24.640 -3.150 1.00 0.00
714 ATOM 710 O HOH 1039 -21.420 24.470 7.460 1.00 0.00
715 ATOM 711 O HOH 1040 -18.170 9.210 3.860 1.00 0.00
716 ATOM 712 O HOH 1041 -9.690 32.210 6.290 1.00 0.00
717 ATOM 713 O HOH 1042 -11.100 20.710 7.990 1.00 0.00
718 ATOM 714 O HOH 1043 -5.900 5.760 7.690 1.00 0.00
719 ATOM 715 O HOH 1044 -16.030 19.580 -6.120 1.00 0.00
720 ATOM 716 O HOH 1045 -19.870 18.200 -1.490 1.00 0.00
721 ATOM 717 O HOH 1046 -5.490 21.040 -4.590 1.00 0.00
722 ATOM 718 O HOH 1047 -20.200 13.310 -2.710 1.00 0.00
723 ATOM 719 O HOH 1048 -9.450 20.710 -5.550 1.00 0.00
724 ATOM 720 O HOH 1049 -16.750 29.010 9.480 1.00 0.00
725 ATOM 721 O HOH 1050 -1.380 29.660 9.480 1.00 0.00
726 ATOM 722 O HOH 1051 -21.250 18.270 8.360 1.00 0.00
727 ATOM 723 O HOH 1052 -18.840 16.740 -6.800 1.00 0.00
728 ATOM 724 O HOH 1053 -11.020 34.250 1.990 1.00 0.00
729 ATOM 725 O HOH 1054 -11.450 25.190 -5.160 1.00 0.00
730 ATOM 726 O HOH 1055 -18.540 14.850 -4.260 1.00 0.00
731 ATOM 727 O HOH 1056 -14.140 34.780 8.210 1.00 0.00
732 ATOM 728 O HOH 1057 -5.490 31.340 6.880 1.00 0.00
733 ATOM 729 O HOH 1058 -8.690 30.140 9.980 1.00 0.00
734 ATOM 730 O HOH 1059 -1.860 22.590 -6.800 1.00 0.00
735 ATOM 731 O HOH 1060 -13.000 33.170 0.000 1.00 0.00
736 TER
737 ENDMDL