NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
502927 | 2l2r | 17152 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.550 10.660 -34.060 2 HA2 GLY 1 2HA GLY 1 14.820 8.150 -35.130 3 HA3 GLY 1 3HA GLY 1 16.570 8.330 -35.230 4 H SER 2 H SER 2 17.210 9.610 -32.930 5 HA SER 2 HA SER 2 17.650 9.280 -30.720 6 HB2 SER 2 2HB SER 2 14.920 7.970 -30.580 7 HB3 SER 2 3HB SER 2 15.820 8.710 -29.260 8 HG SER 2 HG SER 2 14.790 10.050 -31.540 9 H GLY 3 H GLY 3 18.400 7.280 -32.690 10 HA2 GLY 3 2HA GLY 3 19.350 5.190 -32.750 11 HA3 GLY 3 3HA GLY 3 19.390 5.290 -30.990 12 H ARG 4 H ARG 4 19.050 2.850 -31.950 13 HA ARG 4 HA ARG 4 16.170 2.300 -31.970 14 HB2 ARG 4 2HB ARG 4 18.500 1.070 -33.220 15 HB3 ARG 4 3HB ARG 4 17.480 -0.100 -32.390 16 HG2 ARG 4 2HG ARG 4 16.290 -0.160 -34.260 17 HG3 ARG 4 3HG ARG 4 15.650 1.410 -33.750 18 HD2 ARG 4 2HD ARG 4 16.370 1.780 -35.940 19 HD3 ARG 4 3HD ARG 4 17.680 2.410 -34.940 20 HE ARG 4 HE ARG 4 19.060 0.810 -35.800 21 HH11 ARG 4 1HH1 ARG 4 15.750 -0.090 -36.430 22 HH12 ARG 4 2HH1 ARG 4 16.170 -1.440 -37.430 23 HH21 ARG 4 1HH2 ARG 4 19.620 -0.970 -37.130 24 HH22 ARG 4 2HH2 ARG 4 18.370 -1.940 -37.830 25 H GLY 5 H GLY 5 15.540 0.210 -30.840 26 HA2 GLY 5 2HA GLY 5 15.650 -1.220 -28.990 27 HA3 GLY 5 3HA GLY 5 17.140 -0.430 -28.490 28 H SER 6 H SER 6 13.630 0.010 -28.660 29 HA SER 6 HA SER 6 13.640 1.210 -26.040 30 HB2 SER 6 2HB SER 6 13.770 3.320 -26.850 31 HB3 SER 6 3HB SER 6 13.350 2.820 -28.490 32 HG SER 6 HG SER 6 11.690 3.620 -26.390 33 H CYS 7 H CYS 7 11.640 1.130 -25.020 34 HA CYS 7 HA CYS 7 9.890 -0.900 -25.810 35 HB2 CYS 7 2HB CYS 7 9.730 1.280 -23.760 36 HB3 CYS 7 3HB CYS 7 8.350 0.230 -24.050 37 H ARG 8 H ARG 8 9.940 2.500 -26.520 38 HA ARG 8 HA ARG 8 7.250 2.830 -27.280 39 HB2 ARG 8 2HB ARG 8 9.360 4.500 -27.010 40 HB3 ARG 8 3HB ARG 8 9.290 4.370 -28.760 41 HG2 ARG 8 2HG ARG 8 6.900 5.040 -28.660 42 HG3 ARG 8 3HG ARG 8 7.080 5.290 -26.930 43 HD2 ARG 8 2HD ARG 8 8.880 6.930 -27.400 44 HD3 ARG 8 3HD ARG 8 8.560 6.730 -29.120 45 HE ARG 8 HE ARG 8 6.170 7.410 -27.790 46 HH11 ARG 8 1HH1 ARG 8 9.210 8.790 -28.780 47 HH12 ARG 8 2HH1 ARG 8 8.590 10.400 -28.910 48 HH21 ARG 8 1HH2 ARG 8 5.340 9.530 -27.970 49 HH22 ARG 8 2HH2 ARG 8 6.390 10.810 -28.450 50 H SER 9 H SER 9 10.080 2.560 -29.430 51 HA SER 9 HA SER 9 8.660 2.160 -31.780 52 HB2 SER 9 2HB SER 9 11.430 1.910 -30.910 53 HB3 SER 9 3HB SER 9 11.010 0.710 -32.130 54 HG SER 9 HG SER 9 10.080 2.600 -33.290 55 H GLN 10 H GLN 10 9.640 -0.130 -29.310 56 HA GLN 10 HA GLN 10 9.060 -2.480 -30.780 57 HB2 GLN 10 2HB GLN 10 9.570 -1.820 -27.920 58 HB3 GLN 10 3HB GLN 10 8.790 -3.360 -28.280 59 HG2 GLN 10 2HG GLN 10 11.370 -2.470 -29.540 60 HG3 GLN 10 3HG GLN 10 11.290 -3.410 -28.050 61 HE21 GLN 10 1HE2 GLN 10 10.810 -3.420 -31.490 62 HE22 GLN 10 2HE2 GLN 10 10.660 -5.130 -31.670 63 H CYS 11 H CYS 11 7.200 -0.610 -28.410 64 HA CYS 11 HA CYS 11 4.910 -2.300 -28.530 65 HB2 CYS 11 2HB CYS 11 5.360 0.490 -27.480 66 HB3 CYS 11 3HB CYS 11 3.790 -0.280 -27.420 67 H MET 12 H MET 12 6.050 0.400 -30.390 68 HA MET 12 HA MET 12 3.560 1.140 -31.550 69 HB2 MET 12 2HB MET 12 6.440 1.640 -32.230 70 HB3 MET 12 3HB MET 12 5.180 2.090 -33.370 71 HG2 MET 12 2HG MET 12 4.160 3.230 -31.200 72 HG3 MET 12 3HG MET 12 5.860 3.250 -30.740 73 HE1 MET 12 HE1 MET 12 7.520 4.000 -33.510 74 HE2 MET 12 HE2 MET 12 7.550 5.680 -32.980 75 HE3 MET 12 HE3 MET 12 7.650 4.380 -31.790 76 H ARG 13 H ARG 13 6.250 -0.900 -32.690 77 HA ARG 13 HA ARG 13 5.020 -1.600 -35.140 78 HB2 ARG 13 2HB ARG 13 7.200 -2.970 -33.560 79 HB3 ARG 13 3HB ARG 13 6.730 -3.430 -35.190 80 HG2 ARG 13 2HG ARG 13 7.570 -1.470 -36.110 81 HG3 ARG 13 3HG ARG 13 7.590 -0.630 -34.560 82 HD2 ARG 13 2HD ARG 13 9.480 -1.810 -33.830 83 HD3 ARG 13 3HD ARG 13 9.290 -3.060 -35.060 84 HE ARG 13 HE ARG 13 9.720 -0.720 -36.440 85 HH11 ARG 13 1HH1 ARG 13 11.430 -2.550 -34.030 86 HH12 ARG 13 2HH1 ARG 13 13.000 -2.060 -34.570 87 HH21 ARG 13 1HH2 ARG 13 11.770 -0.060 -37.170 88 HH22 ARG 13 2HH2 ARG 13 13.190 -0.640 -36.360 89 H ARG 14 H ARG 14 4.980 -3.020 -31.930 90 HA ARG 14 HA ARG 14 3.730 -5.460 -32.660 91 HB2 ARG 14 2HB ARG 14 5.000 -5.000 -30.520 92 HB3 ARG 14 3HB ARG 14 3.580 -4.100 -29.970 93 HG2 ARG 14 2HG ARG 14 2.230 -6.100 -30.090 94 HG3 ARG 14 3HG ARG 14 3.580 -7.010 -30.760 95 HD2 ARG 14 2HD ARG 14 3.590 -5.680 -28.050 96 HD3 ARG 14 3HD ARG 14 3.210 -7.380 -28.330 97 HE ARG 14 HE ARG 14 5.740 -6.600 -29.420 98 HH11 ARG 14 1HH1 ARG 14 4.090 -7.640 -26.540 99 HH12 ARG 14 2HH1 ARG 14 5.510 -8.310 -25.810 100 HH21 ARG 14 1HH2 ARG 14 7.620 -7.470 -28.470 101 HH22 ARG 14 2HH2 ARG 14 7.520 -8.200 -26.900 102 H HIS 15 H HIS 15 2.560 -2.260 -31.990 103 HA HIS 15 HA HIS 15 -0.210 -3.240 -32.250 104 HB2 HIS 15 2HB HIS 15 0.700 -0.720 -30.850 105 HB3 HIS 15 3HB HIS 15 -0.940 -1.340 -30.930 106 HD1 HIS 15 HD1 HIS 15 -0.910 -4.050 -29.960 107 HD2 HIS 15 HD2 HIS 15 1.750 -1.250 -28.430 108 HE1 HIS 15 HE1 HIS 15 -0.200 -4.950 -27.720 109 H GLU 16 H GLU 16 1.140 -2.870 -34.560 110 HA GLU 16 HA GLU 16 1.060 -0.260 -35.630 111 HB2 GLU 16 2HB GLU 16 2.290 -2.340 -36.520 112 HB3 GLU 16 3HB GLU 16 0.750 -2.770 -37.260 113 HG2 GLU 16 2HG GLU 16 1.610 -0.030 -37.790 114 HG3 GLU 16 3HG GLU 16 2.680 -1.270 -38.440 115 H ASP 17 H ASP 17 -1.370 -2.690 -35.170 116 HA ASP 17 HA ASP 17 -3.240 -1.510 -37.030 117 HB2 ASP 17 2HB ASP 17 -3.100 -3.990 -36.360 118 HB3 ASP 17 3HB ASP 17 -3.920 -3.500 -34.870 119 H GLU 18 H GLU 18 -2.440 -1.220 -33.670 120 HA GLU 18 HA GLU 18 -4.410 0.920 -33.410 121 HB2 GLU 18 2HB GLU 18 -4.190 -1.150 -31.240 122 HB3 GLU 18 3HB GLU 18 -5.410 0.110 -31.430 123 HG2 GLU 18 2HG GLU 18 -6.050 -1.130 -33.590 124 HG3 GLU 18 3HG GLU 18 -5.100 -2.460 -32.940 125 HA PRO 19 HA PRO 19 -0.250 1.940 -31.650 126 HB2 PRO 19 2HB PRO 19 -0.110 4.400 -32.800 127 HB3 PRO 19 3HB PRO 19 0.410 2.920 -33.620 128 HG2 PRO 19 2HG PRO 19 -2.160 4.430 -33.880 129 HG3 PRO 19 3HG PRO 19 -1.150 3.710 -35.150 130 HD2 PRO 19 2HD PRO 19 -3.390 2.510 -34.220 131 HD3 PRO 19 3HD PRO 19 -1.990 1.590 -34.790 132 H TRP 20 H TRP 20 -3.420 3.090 -31.420 133 HA TRP 20 HA TRP 20 -2.930 5.360 -29.740 134 HB2 TRP 20 2HB TRP 20 -5.330 3.840 -30.650 135 HB3 TRP 20 3HB TRP 20 -5.480 4.850 -29.210 136 HD1 TRP 20 HD1 TRP 20 -5.280 5.040 -32.970 137 HE1 TRP 20 HE1 TRP 20 -5.540 7.490 -33.720 138 HE3 TRP 20 HE3 TRP 20 -4.920 7.330 -28.410 139 HZ2 TRP 20 HZ2 TRP 20 -5.590 10.050 -32.540 140 HZ3 TRP 20 HZ3 TRP 20 -5.090 9.780 -28.310 141 HH2 TRP 20 HH2 TRP 20 -5.410 11.110 -30.330 142 H ARG 21 H ARG 21 -2.890 2.010 -29.260 143 HA ARG 21 HA ARG 21 -3.370 2.290 -26.380 144 HB2 ARG 21 2HB ARG 21 -3.650 -0.120 -26.320 145 HB3 ARG 21 3HB ARG 21 -4.700 0.580 -27.540 146 HG2 ARG 21 2HG ARG 21 -3.660 -0.480 -29.230 147 HG3 ARG 21 3HG ARG 21 -2.060 -0.290 -28.500 148 HD2 ARG 21 2HD ARG 21 -2.260 -2.530 -28.210 149 HD3 ARG 21 3HD ARG 21 -3.140 -2.030 -26.770 150 HE ARG 21 HE ARG 21 -5.110 -2.730 -27.750 151 HH11 ARG 21 1HH1 ARG 21 -2.500 -2.840 -30.050 152 HH12 ARG 21 2HH1 ARG 21 -3.400 -3.750 -31.220 153 HH21 ARG 21 1HH2 ARG 21 -6.300 -3.930 -29.280 154 HH22 ARG 21 2HH2 ARG 21 -5.560 -4.370 -30.780 155 H VAL 22 H VAL 22 -0.880 2.420 -28.470 156 HA VAL 22 HA VAL 22 1.080 0.700 -27.530 157 HB VAL 22 HB VAL 22 1.280 3.480 -28.680 158 HG11 VAL 22 1HG1 VAL 22 3.440 1.720 -27.600 159 HG12 VAL 22 2HG1 VAL 22 3.760 2.740 -29.010 160 HG13 VAL 22 3HG1 VAL 22 3.250 3.470 -27.480 161 HG21 VAL 22 3HG2 VAL 22 2.360 1.020 -29.960 162 HG22 VAL 22 1HG2 VAL 22 0.610 1.260 -29.950 163 HG23 VAL 22 2HG2 VAL 22 1.660 2.460 -30.700 164 H GLN 23 H GLN 23 0.040 3.820 -26.270 165 HA GLN 23 HA GLN 23 2.030 4.350 -24.440 166 HB2 GLN 23 2HB GLN 23 0.230 5.490 -23.090 167 HB3 GLN 23 3HB GLN 23 0.310 5.970 -24.780 168 HG2 GLN 23 2HG GLN 23 -1.530 4.340 -25.240 169 HG3 GLN 23 3HG GLN 23 -1.690 4.140 -23.500 170 HE21 GLN 23 1HE2 GLN 23 -3.740 5.060 -25.160 171 HE22 GLN 23 2HE2 GLN 23 -4.100 6.700 -24.730 172 H GLU 24 H GLU 24 -0.870 2.360 -23.950 173 HA GLU 24 HA GLU 24 -0.440 1.680 -21.290 174 HB2 GLU 24 2HB GLU 24 -2.480 1.210 -22.780 175 HB3 GLU 24 3HB GLU 24 -1.620 -0.240 -23.290 176 HG2 GLU 24 2HG GLU 24 -1.460 -0.390 -20.570 177 HG3 GLU 24 3HG GLU 24 -3.050 0.340 -20.810 178 H CYS 25 H CYS 25 0.890 0.310 -24.240 179 HA CYS 25 HA CYS 25 2.110 -1.930 -22.950 180 HB2 CYS 25 2HB CYS 25 1.570 -2.130 -25.280 181 HB3 CYS 25 3HB CYS 25 2.510 -0.690 -25.670 182 H VAL 26 H VAL 26 3.250 1.220 -24.090 183 HA VAL 26 HA VAL 26 5.970 0.850 -23.460 184 HB VAL 26 HB VAL 26 4.360 3.390 -23.690 185 HG11 VAL 26 1HG1 VAL 26 7.320 2.930 -23.350 186 HG12 VAL 26 2HG1 VAL 26 6.670 4.410 -24.070 187 HG13 VAL 26 3HG1 VAL 26 6.250 3.980 -22.410 188 HG21 VAL 26 3HG2 VAL 26 4.540 1.940 -25.710 189 HG22 VAL 26 1HG2 VAL 26 5.220 3.550 -25.910 190 HG23 VAL 26 2HG2 VAL 26 6.290 2.160 -25.650 191 H SER 27 H SER 27 3.260 2.160 -21.620 192 HA SER 27 HA SER 27 4.660 3.150 -19.420 193 HB2 SER 27 2HB SER 27 2.170 3.400 -19.980 194 HB3 SER 27 3HB SER 27 1.960 1.840 -19.190 195 HG SER 27 HG SER 27 1.720 3.190 -17.540 196 H GLN 28 H GLN 28 3.330 -0.090 -19.990 197 HA GLN 28 HA GLN 28 4.250 -1.120 -17.490 198 HB2 GLN 28 2HB GLN 28 3.230 -2.500 -19.980 199 HB3 GLN 28 3HB GLN 28 3.610 -3.330 -18.480 200 HG2 GLN 28 2HG GLN 28 1.890 -1.220 -17.790 201 HG3 GLN 28 3HG GLN 28 1.220 -1.970 -19.240 202 HE21 GLN 28 1HE2 GLN 28 -0.510 -2.920 -18.260 203 HE22 GLN 28 2HE2 GLN 28 -0.370 -4.210 -17.120 204 H CYS 29 H CYS 29 5.280 -1.540 -20.870 205 HA CYS 29 HA CYS 29 7.430 -3.240 -20.440 206 HB2 CYS 29 2HB CYS 29 6.590 -2.710 -22.680 207 HB3 CYS 29 3HB CYS 29 7.150 -1.050 -22.510 208 H ARG 30 H ARG 30 7.360 0.300 -20.390 209 HA ARG 30 HA ARG 30 10.120 0.660 -19.920 210 HB2 ARG 30 2HB ARG 30 8.860 2.520 -20.730 211 HB3 ARG 30 3HB ARG 30 7.720 2.410 -19.390 212 HG2 ARG 30 2HG ARG 30 9.210 3.350 -17.880 213 HG3 ARG 30 3HG ARG 30 10.620 2.970 -18.870 214 HD2 ARG 30 2HD ARG 30 8.850 4.650 -20.360 215 HD3 ARG 30 3HD ARG 30 9.140 5.380 -18.770 216 HE ARG 30 HE ARG 30 10.980 5.200 -20.930 217 HH11 ARG 30 1HH1 ARG 30 10.770 5.120 -17.460 218 HH12 ARG 30 2HH1 ARG 30 12.380 5.680 -17.210 219 HH21 ARG 30 1HH2 ARG 30 13.120 5.940 -20.620 220 HH22 ARG 30 2HH2 ARG 30 13.720 6.150 -19.010 221 H ARG 31 H ARG 31 7.420 1.110 -17.620 222 HA ARG 31 HA ARG 31 8.960 1.290 -15.320 223 HB2 ARG 31 2HB ARG 31 6.960 0.960 -14.090 224 HB3 ARG 31 3HB ARG 31 6.480 1.770 -15.580 225 HG2 ARG 31 2HG ARG 31 5.890 -0.480 -16.500 226 HG3 ARG 31 3HG ARG 31 6.170 -1.140 -14.890 227 HD2 ARG 31 2HD ARG 31 4.380 1.210 -15.100 228 HD3 ARG 31 3HD ARG 31 3.770 -0.320 -15.720 229 HE ARG 31 HE ARG 31 4.890 -0.580 -13.110 230 HH11 ARG 31 1HH1 ARG 31 2.050 0.390 -14.870 231 HH12 ARG 31 2HH1 ARG 31 0.970 0.080 -13.550 232 HH21 ARG 31 1HH2 ARG 31 3.480 -1.000 -11.370 233 HH22 ARG 31 2HH2 ARG 31 1.780 -0.700 -11.560 234 H ARG 32 H ARG 32 9.320 -0.230 -13.600 235 HA ARG 32 HA ARG 32 10.240 -2.160 -12.820 236 HB2 ARG 32 2HB ARG 32 8.020 -3.380 -14.490 237 HB3 ARG 32 3HB ARG 32 8.920 -4.210 -13.220 238 HG2 ARG 32 2HG ARG 32 8.040 -2.090 -11.830 239 HG3 ARG 32 3HG ARG 32 6.750 -2.230 -13.020 240 HD2 ARG 32 2HD ARG 32 7.740 -4.510 -11.320 241 HD3 ARG 32 3HD ARG 32 6.350 -3.510 -10.910 242 HE ARG 32 HE ARG 32 6.100 -4.600 -13.520 243 HH11 ARG 32 1HH1 ARG 32 5.840 -5.410 -10.150 244 HH12 ARG 32 2HH1 ARG 32 4.690 -6.680 -10.410 245 HH21 ARG 32 1HH2 ARG 32 4.580 -6.270 -13.880 246 HH22 ARG 32 2HH2 ARG 32 3.980 -7.170 -12.530 247 H ARG 33 H ARG 33 11.920 -1.330 -14.570 248 HA ARG 33 HA ARG 33 12.300 -3.220 -16.740 249 HB2 ARG 33 2HB ARG 33 14.230 -1.820 -17.330 250 HB3 ARG 33 3HB ARG 33 12.770 -0.860 -17.150 251 HG2 ARG 33 2HG ARG 33 13.480 -0.100 -14.970 252 HG3 ARG 33 3HG ARG 33 14.900 -1.150 -15.050 253 HD2 ARG 33 2HD ARG 33 15.940 0.170 -16.640 254 HD3 ARG 33 3HD ARG 33 14.420 0.870 -17.200 255 HE ARG 33 HE ARG 33 16.070 1.790 -15.020 256 HH11 ARG 33 1HH1 ARG 33 12.890 1.800 -16.440 257 HH12 ARG 33 2HH1 ARG 33 12.400 3.270 -15.670 258 HH21 ARG 33 1HH2 ARG 33 15.440 3.730 -14.000 259 HH22 ARG 33 2HH2 ARG 33 13.860 4.370 -14.280 260 H GLY 34 H GLY 34 13.230 -2.890 -13.480 261 HA2 GLY 34 2HA GLY 34 15.780 -4.140 -13.590 262 HA3 GLY 34 3HA GLY 34 14.770 -3.980 -12.160 263 H GLY 35 H GLY 35 12.510 -5.370 -13.480 264 HA2 GLY 35 2HA GLY 35 12.940 -7.850 -14.480 265 HA3 GLY 35 3HA GLY 35 13.340 -8.050 -12.780 266 H GLY 36 H GLY 36 10.800 -6.150 -14.390 267 HA2 GLY 36 2HA GLY 36 8.830 -6.800 -12.470 268 HA3 GLY 36 3HA GLY 36 8.530 -6.100 -14.060 269 H ASP 37 H ASP 37 6.710 -7.840 -13.040 270 HA ASP 37 HA ASP 37 7.240 -10.520 -13.960 271 HB2 ASP 37 2HB ASP 37 5.600 -9.540 -12.050 272 HB3 ASP 37 3HB ASP 37 4.450 -9.690 -13.380 Start of MODEL 2 1 H1 GLY 1 H GLY 1 17.798 -6.018 -29.271 2 HA2 GLY 1 2HA GLY 1 19.775 -7.216 -30.872 3 HA3 GLY 1 3HA GLY 1 18.043 -7.437 -31.065 4 H SER 2 H SER 2 20.724 -6.517 -32.659 5 HA SER 2 HA SER 2 21.176 -5.308 -34.536 6 HB2 SER 2 2HB SER 2 18.251 -5.948 -34.889 7 HB3 SER 2 3HB SER 2 19.170 -5.084 -36.120 8 HG SER 2 HG SER 2 19.261 -7.264 -36.590 9 H GLY 3 H GLY 3 21.139 -3.639 -32.486 10 HA2 GLY 3 2HA GLY 3 21.224 -1.247 -32.551 11 HA3 GLY 3 3HA GLY 3 19.817 -1.253 -33.595 12 H ARG 4 H ARG 4 19.942 -3.258 -30.753 13 HA ARG 4 HA ARG 4 18.706 -3.282 -28.842 14 HB2 ARG 4 2HB ARG 4 19.827 -0.718 -29.021 15 HB3 ARG 4 3HB ARG 4 18.141 -0.464 -28.594 16 HG2 ARG 4 2HG ARG 4 18.369 -1.400 -26.543 17 HG3 ARG 4 3HG ARG 4 19.610 -2.539 -27.085 18 HD2 ARG 4 2HD ARG 4 21.309 -1.002 -26.830 19 HD3 ARG 4 3HD ARG 4 20.228 0.384 -27.019 20 HE ARG 4 HE ARG 4 19.849 0.344 -24.758 21 HH11 ARG 4 1HH1 ARG 4 21.327 -2.665 -25.724 22 HH12 ARG 4 2HH1 ARG 4 21.564 -3.227 -24.101 23 HH21 ARG 4 1HH2 ARG 4 20.157 -0.392 -22.613 24 HH22 ARG 4 2HH2 ARG 4 20.892 -1.928 -22.334 25 H GLY 5 H GLY 5 16.581 -2.001 -27.868 26 HA2 GLY 5 2HA GLY 5 14.634 -1.528 -29.977 27 HA3 GLY 5 3HA GLY 5 14.374 -2.978 -29.024 28 H SER 6 H SER 6 13.939 0.382 -29.204 29 HA SER 6 HA SER 6 13.617 0.947 -26.437 30 HB2 SER 6 2HB SER 6 13.279 3.074 -27.118 31 HB3 SER 6 3HB SER 6 13.765 2.473 -28.709 32 HG SER 6 HG SER 6 11.523 3.600 -28.147 33 H CYS 7 H CYS 7 11.798 0.991 -25.170 34 HA CYS 7 HA CYS 7 9.803 -0.886 -25.567 35 HB2 CYS 7 2HB CYS 7 9.841 1.585 -23.832 36 HB3 CYS 7 3HB CYS 7 8.552 0.399 -23.772 37 H ARG 8 H ARG 8 9.995 2.424 -26.641 38 HA ARG 8 HA ARG 8 7.221 2.732 -27.260 39 HB2 ARG 8 2HB ARG 8 9.319 4.455 -27.066 40 HB3 ARG 8 3HB ARG 8 9.183 4.304 -28.816 41 HG2 ARG 8 2HG ARG 8 6.746 4.861 -28.561 42 HG3 ARG 8 3HG ARG 8 7.098 5.263 -26.875 43 HD2 ARG 8 2HD ARG 8 8.982 6.735 -27.963 44 HD3 ARG 8 3HD ARG 8 7.957 6.636 -29.384 45 HE ARG 8 HE ARG 8 6.552 7.416 -27.004 46 HH11 ARG 8 1HH1 ARG 8 8.428 8.519 -29.716 47 HH12 ARG 8 2HH1 ARG 8 7.785 10.123 -29.676 48 HH21 ARG 8 1HH2 ARG 8 5.699 9.535 -26.942 49 HH22 ARG 8 2HH2 ARG 8 6.238 10.707 -28.098 50 H SER 9 H SER 9 10.034 2.488 -29.451 51 HA SER 9 HA SER 9 8.602 2.043 -31.791 52 HB2 SER 9 2HB SER 9 10.897 2.547 -32.044 53 HB3 SER 9 3HB SER 9 11.386 1.258 -30.944 54 HG SER 9 HG SER 9 11.181 1.148 -33.567 55 H GLN 10 H GLN 10 9.652 -0.236 -29.326 56 HA GLN 10 HA GLN 10 9.054 -2.606 -30.742 57 HB2 GLN 10 2HB GLN 10 9.554 -1.886 -27.904 58 HB3 GLN 10 3HB GLN 10 8.757 -3.421 -28.213 59 HG2 GLN 10 2HG GLN 10 11.348 -2.604 -29.499 60 HG3 GLN 10 3HG GLN 10 11.245 -3.516 -27.988 61 HE21 GLN 10 1HE2 GLN 10 11.900 -3.901 -31.081 62 HE22 GLN 10 2HE2 GLN 10 11.275 -5.497 -31.366 63 H CYS 11 H CYS 11 7.166 -0.696 -28.421 64 HA CYS 11 HA CYS 11 4.876 -2.389 -28.546 65 HB2 CYS 11 2HB CYS 11 5.352 0.389 -27.486 66 HB3 CYS 11 3HB CYS 11 3.749 -0.337 -27.483 67 H MET 12 H MET 12 6.033 0.300 -30.415 68 HA MET 12 HA MET 12 3.550 0.993 -31.622 69 HB2 MET 12 2HB MET 12 6.420 1.573 -32.240 70 HB3 MET 12 3HB MET 12 5.163 2.014 -33.381 71 HG2 MET 12 2HG MET 12 4.123 3.068 -31.153 72 HG3 MET 12 3HG MET 12 5.839 3.168 -30.759 73 HE1 MET 12 HE1 MET 12 7.555 4.555 -31.916 74 HE2 MET 12 HE2 MET 12 7.324 3.783 -33.490 75 HE3 MET 12 HE3 MET 12 7.311 5.549 -33.349 76 H ARG 13 H ARG 13 6.268 -1.053 -32.607 77 HA ARG 13 HA ARG 13 5.202 -1.734 -35.151 78 HB2 ARG 13 2HB ARG 13 7.235 -3.141 -33.402 79 HB3 ARG 13 3HB ARG 13 6.864 -3.609 -35.061 80 HG2 ARG 13 2HG ARG 13 7.416 -0.848 -35.092 81 HG3 ARG 13 3HG ARG 13 8.662 -1.605 -34.102 82 HD2 ARG 13 2HD ARG 13 8.511 -3.344 -36.184 83 HD3 ARG 13 3HD ARG 13 8.157 -1.813 -36.989 84 HE ARG 13 HE ARG 13 10.351 -1.263 -36.769 85 HH11 ARG 13 1HH1 ARG 13 9.581 -3.704 -34.405 86 HH12 ARG 13 2HH1 ARG 13 11.216 -3.861 -33.838 87 HH21 ARG 13 1HH2 ARG 13 12.507 -1.462 -36.035 88 HH22 ARG 13 2HH2 ARG 13 12.877 -2.579 -34.776 89 H ARG 14 H ARG 14 4.906 -3.146 -31.941 90 HA ARG 14 HA ARG 14 3.619 -5.540 -32.801 91 HB2 ARG 14 2HB ARG 14 4.834 -5.192 -30.601 92 HB3 ARG 14 3HB ARG 14 3.435 -4.276 -30.064 93 HG2 ARG 14 2HG ARG 14 2.044 -6.180 -30.141 94 HG3 ARG 14 3HG ARG 14 3.241 -7.104 -31.047 95 HD2 ARG 14 2HD ARG 14 4.751 -6.914 -29.061 96 HD3 ARG 14 3HD ARG 14 3.410 -6.197 -28.181 97 HE ARG 14 HE ARG 14 2.584 -8.642 -29.288 98 HH11 ARG 14 1HH1 ARG 14 4.703 -7.392 -26.815 99 HH12 ARG 14 2HH1 ARG 14 4.576 -8.804 -25.820 100 HH21 ARG 14 1HH2 ARG 14 2.415 -10.505 -27.970 101 HH22 ARG 14 2HH2 ARG 14 3.275 -10.569 -26.470 102 H HIS 15 H HIS 15 2.550 -2.316 -32.019 103 HA HIS 15 HA HIS 15 -0.239 -3.179 -32.406 104 HB2 HIS 15 2HB HIS 15 0.706 -0.734 -30.902 105 HB3 HIS 15 3HB HIS 15 -0.952 -1.313 -31.027 106 HD1 HIS 15 HD1 HIS 15 -0.994 -4.050 -30.122 107 HD2 HIS 15 HD2 HIS 15 1.720 -1.363 -28.486 108 HE1 HIS 15 HE1 HIS 15 -0.337 -5.036 -27.908 109 H GLU 16 H GLU 16 1.161 -2.793 -34.656 110 HA GLU 16 HA GLU 16 1.265 -0.163 -35.649 111 HB2 GLU 16 2HB GLU 16 2.478 -2.002 -36.698 112 HB3 GLU 16 3HB GLU 16 0.956 -2.760 -37.152 113 HG2 GLU 16 2HG GLU 16 1.172 -0.019 -38.090 114 HG3 GLU 16 3HG GLU 16 2.450 -1.058 -38.710 115 H ASP 17 H ASP 17 -1.332 -2.433 -35.319 116 HA ASP 17 HA ASP 17 -3.102 -1.046 -37.136 117 HB2 ASP 17 2HB ASP 17 -3.153 -3.546 -36.646 118 HB3 ASP 17 3HB ASP 17 -3.882 -3.129 -35.088 119 H GLU 18 H GLU 18 -2.828 -1.460 -33.616 120 HA GLU 18 HA GLU 18 -4.596 0.879 -33.302 121 HB2 GLU 18 2HB GLU 18 -4.198 -1.304 -31.255 122 HB3 GLU 18 3HB GLU 18 -5.413 -0.024 -31.248 123 HG2 GLU 18 2HG GLU 18 -5.276 -2.203 -33.316 124 HG3 GLU 18 3HG GLU 18 -6.272 -2.278 -31.862 125 HA PRO 19 HA PRO 19 -0.390 1.986 -31.692 126 HB2 PRO 19 2HB PRO 19 -0.359 4.451 -32.823 127 HB3 PRO 19 3HB PRO 19 0.174 3.000 -33.666 128 HG2 PRO 19 2HG PRO 19 -2.444 4.443 -33.835 129 HG3 PRO 19 3HG PRO 19 -1.460 3.753 -35.145 130 HD2 PRO 19 2HD PRO 19 -3.636 2.493 -34.140 131 HD3 PRO 19 3HD PRO 19 -2.226 1.618 -34.771 132 H TRP 20 H TRP 20 -3.584 3.072 -31.358 133 HA TRP 20 HA TRP 20 -3.086 5.328 -29.664 134 HB2 TRP 20 2HB TRP 20 -5.338 4.174 -30.945 135 HB3 TRP 20 3HB TRP 20 -5.682 4.182 -29.221 136 HD1 TRP 20 HD1 TRP 20 -6.622 6.380 -28.295 137 HE1 TRP 20 HE1 TRP 20 -6.773 8.814 -29.129 138 HE3 TRP 20 HE3 TRP 20 -3.862 5.943 -32.571 139 HZ2 TRP 20 HZ2 TRP 20 -5.852 10.340 -31.318 140 HZ3 TRP 20 HZ3 TRP 20 -3.540 7.940 -33.986 141 HH2 TRP 20 HH2 TRP 20 -4.510 10.093 -33.369 142 H ARG 21 H ARG 21 -2.976 1.973 -29.226 143 HA ARG 21 HA ARG 21 -3.387 2.208 -26.330 144 HB2 ARG 21 2HB ARG 21 -3.625 -0.208 -26.289 145 HB3 ARG 21 3HB ARG 21 -4.715 0.491 -27.488 146 HG2 ARG 21 2HG ARG 21 -3.701 -0.543 -29.196 147 HG3 ARG 21 3HG ARG 21 -2.094 -0.313 -28.527 148 HD2 ARG 21 2HD ARG 21 -2.214 -2.548 -28.226 149 HD3 ARG 21 3HD ARG 21 -3.063 -2.083 -26.758 150 HE ARG 21 HE ARG 21 -5.058 -2.275 -28.554 151 HH11 ARG 21 1HH1 ARG 21 -2.440 -4.417 -27.724 152 HH12 ARG 21 2HH1 ARG 21 -3.332 -5.857 -28.116 153 HH21 ARG 21 1HH2 ARG 21 -6.231 -4.165 -29.065 154 HH22 ARG 21 2HH2 ARG 21 -5.483 -5.711 -28.875 155 H VAL 22 H VAL 22 -0.953 2.430 -28.481 156 HA VAL 22 HA VAL 22 1.063 0.732 -27.629 157 HB VAL 22 HB VAL 22 1.183 3.533 -28.718 158 HG11 VAL 22 1HG1 VAL 22 3.462 1.723 -27.945 159 HG12 VAL 22 2HG1 VAL 22 3.628 3.077 -29.074 160 HG13 VAL 22 3HG1 VAL 22 3.151 3.371 -27.403 161 HG21 VAL 22 3HG2 VAL 22 1.529 2.574 -30.763 162 HG22 VAL 22 1HG2 VAL 22 2.272 1.124 -30.079 163 HG23 VAL 22 2HG2 VAL 22 0.528 1.323 -30.011 164 H GLN 23 H GLN 23 0.098 3.879 -26.323 165 HA GLN 23 HA GLN 23 2.111 4.313 -24.500 166 HB2 GLN 23 2HB GLN 23 0.371 5.528 -23.152 167 HB3 GLN 23 3HB GLN 23 0.481 6.009 -24.843 168 HG2 GLN 23 2HG GLN 23 -1.439 4.472 -25.299 169 HG3 GLN 23 3HG GLN 23 -1.608 4.267 -23.557 170 HE21 GLN 23 1HE2 GLN 23 -3.611 5.194 -23.409 171 HE22 GLN 23 2HE2 GLN 23 -3.884 6.885 -23.673 172 H GLU 24 H GLU 24 -0.878 2.452 -24.015 173 HA GLU 24 HA GLU 24 -0.472 1.750 -21.357 174 HB2 GLU 24 2HB GLU 24 -2.536 1.383 -22.846 175 HB3 GLU 24 3HB GLU 24 -1.743 -0.111 -23.353 176 HG2 GLU 24 2HG GLU 24 -1.583 -0.332 -20.660 177 HG3 GLU 24 3HG GLU 24 -3.098 0.563 -20.840 178 H CYS 25 H CYS 25 0.828 0.366 -24.296 179 HA CYS 25 HA CYS 25 1.916 -1.966 -23.030 180 HB2 CYS 25 2HB CYS 25 1.422 -2.096 -25.381 181 HB3 CYS 25 3HB CYS 25 2.420 -0.685 -25.716 182 H VAL 26 H VAL 26 3.225 1.150 -24.109 183 HA VAL 26 HA VAL 26 5.917 0.626 -23.412 184 HB VAL 26 HB VAL 26 4.447 3.251 -23.656 185 HG11 VAL 26 1HG1 VAL 26 7.391 2.698 -23.378 186 HG12 VAL 26 2HG1 VAL 26 6.710 4.249 -23.868 187 HG13 VAL 26 3HG1 VAL 26 6.372 3.597 -22.271 188 HG21 VAL 26 3HG2 VAL 26 5.287 3.369 -25.864 189 HG22 VAL 26 1HG2 VAL 26 6.409 2.026 -25.587 190 HG23 VAL 26 2HG2 VAL 26 4.671 1.723 -25.682 191 H SER 27 H SER 27 3.228 2.102 -21.637 192 HA SER 27 HA SER 27 4.567 3.055 -19.409 193 HB2 SER 27 2HB SER 27 1.983 2.986 -20.115 194 HB3 SER 27 3HB SER 27 1.970 1.679 -18.924 195 HG SER 27 HG SER 27 2.785 4.374 -18.535 196 H GLN 28 H GLN 28 3.536 -0.242 -20.151 197 HA GLN 28 HA GLN 28 4.257 -1.295 -17.586 198 HB2 GLN 28 2HB GLN 28 3.679 -2.645 -20.226 199 HB3 GLN 28 3HB GLN 28 3.956 -3.506 -18.724 200 HG2 GLN 28 2HG GLN 28 1.966 -1.575 -18.209 201 HG3 GLN 28 3HG GLN 28 1.545 -2.377 -19.718 202 HE21 GLN 28 1HE2 GLN 28 -0.088 -3.649 -19.082 203 HE22 GLN 28 2HE2 GLN 28 0.028 -4.881 -17.873 204 H CYS 29 H CYS 29 5.694 -1.541 -20.840 205 HA CYS 29 HA CYS 29 7.948 -3.024 -20.171 206 HB2 CYS 29 2HB CYS 29 7.302 -2.564 -22.484 207 HB3 CYS 29 3HB CYS 29 7.681 -0.862 -22.270 208 H ARG 30 H ARG 30 7.692 0.528 -20.432 209 HA ARG 30 HA ARG 30 10.276 1.099 -19.533 210 HB2 ARG 30 2HB ARG 30 9.064 2.824 -20.635 211 HB3 ARG 30 3HB ARG 30 7.736 2.704 -19.483 212 HG2 ARG 30 2HG ARG 30 8.966 3.763 -17.794 213 HG3 ARG 30 3HG ARG 30 10.488 3.541 -18.653 214 HD2 ARG 30 2HD ARG 30 8.607 5.012 -20.262 215 HD3 ARG 30 3HD ARG 30 8.819 5.785 -18.698 216 HE ARG 30 HE ARG 30 11.350 5.232 -19.554 217 HH11 ARG 30 1HH1 ARG 30 8.640 7.013 -20.804 218 HH12 ARG 30 2HH1 ARG 30 9.613 8.146 -21.677 219 HH21 ARG 30 1HH2 ARG 30 12.654 6.723 -20.698 220 HH22 ARG 30 2HH2 ARG 30 11.900 7.981 -21.615 221 H ARG 31 H ARG 31 7.339 0.377 -17.798 222 HA ARG 31 HA ARG 31 8.098 1.340 -15.265 223 HB2 ARG 31 2HB ARG 31 5.988 -0.383 -16.364 224 HB3 ARG 31 3HB ARG 31 6.446 -0.777 -14.708 225 HG2 ARG 31 2HG ARG 31 5.725 2.009 -15.580 226 HG3 ARG 31 3HG ARG 31 4.541 0.849 -14.975 227 HD2 ARG 31 2HD ARG 31 5.398 0.882 -12.841 228 HD3 ARG 31 3HD ARG 31 7.001 1.367 -13.383 229 HE ARG 31 HE ARG 31 6.374 3.538 -13.095 230 HH11 ARG 31 1HH1 ARG 31 3.502 1.593 -13.482 231 HH12 ARG 31 2HH1 ARG 31 2.418 2.911 -13.192 232 HH21 ARG 31 1HH2 ARG 31 4.952 5.273 -12.709 233 HH22 ARG 31 2HH2 ARG 31 3.236 5.002 -12.755 234 H ARG 32 H ARG 32 10.109 0.759 -14.591 235 HA ARG 32 HA ARG 32 10.933 -2.028 -14.701 236 HB2 ARG 32 2HB ARG 32 12.333 0.457 -13.674 237 HB3 ARG 32 3HB ARG 32 13.044 -1.154 -13.700 238 HG2 ARG 32 2HG ARG 32 12.025 -0.491 -16.300 239 HG3 ARG 32 3HG ARG 32 13.109 0.780 -15.723 240 HD2 ARG 32 2HD ARG 32 14.897 -0.720 -15.453 241 HD3 ARG 32 3HD ARG 32 13.844 -2.125 -15.574 242 HE ARG 32 HE ARG 32 13.953 -1.992 -17.865 243 HH11 ARG 32 1HH1 ARG 32 15.196 0.943 -16.455 244 HH12 ARG 32 2HH1 ARG 32 15.807 1.558 -17.957 245 HH21 ARG 32 1HH2 ARG 32 14.754 -1.191 -19.838 246 HH22 ARG 32 2HH2 ARG 32 15.560 0.342 -19.881 247 H ARG 33 H ARG 33 8.689 -1.689 -13.118 248 HA ARG 33 HA ARG 33 9.595 -1.645 -10.350 249 HB2 ARG 33 2HB ARG 33 7.229 -1.755 -9.765 250 HB3 ARG 33 3HB ARG 33 7.521 -0.472 -10.942 251 HG2 ARG 33 2HG ARG 33 6.207 -1.416 -12.485 252 HG3 ARG 33 3HG ARG 33 6.816 -3.041 -12.142 253 HD2 ARG 33 2HD ARG 33 5.092 -3.509 -10.803 254 HD3 ARG 33 3HD ARG 33 5.215 -1.971 -9.960 255 HE ARG 33 HE ARG 33 4.080 -1.677 -12.560 256 HH11 ARG 33 1HH1 ARG 33 3.374 -2.616 -9.282 257 HH12 ARG 33 2HH1 ARG 33 1.692 -2.228 -9.390 258 HH21 ARG 33 1HH2 ARG 33 1.861 -1.166 -12.723 259 HH22 ARG 33 2HH2 ARG 33 0.829 -1.405 -11.346 260 H GLY 34 H GLY 34 9.019 -3.892 -12.842 261 HA2 GLY 34 2HA GLY 34 8.177 -6.112 -11.267 262 HA3 GLY 34 3HA GLY 34 8.842 -6.182 -12.891 263 H GLY 35 H GLY 35 11.282 -5.743 -12.981 264 HA2 GLY 35 2HA GLY 35 13.396 -6.439 -12.433 265 HA3 GLY 35 3HA GLY 35 12.936 -6.167 -10.759 266 H GLY 36 H GLY 36 12.017 -8.516 -13.287 267 HA2 GLY 36 2HA GLY 36 13.077 -10.695 -11.716 268 HA3 GLY 36 3HA GLY 36 11.330 -10.663 -11.813 269 H ASP 37 H ASP 37 12.000 -12.860 -12.770 270 HA ASP 37 HA ASP 37 12.660 -12.606 -15.622 271 HB2 ASP 37 2HB ASP 37 14.064 -14.215 -14.644 272 HB3 ASP 37 3HB ASP 37 12.758 -14.892 -13.679 Start of MODEL 3 1 H1 GLY 1 H GLY 1 17.216 -10.032 -30.247 2 HA2 GLY 1 2HA GLY 1 18.942 -11.854 -30.070 3 HA3 GLY 1 3HA GLY 1 18.521 -12.236 -31.728 4 H SER 2 H SER 2 20.610 -10.532 -29.757 5 HA SER 2 HA SER 2 22.260 -9.003 -30.116 6 HB2 SER 2 2HB SER 2 21.965 -10.022 -32.956 7 HB3 SER 2 3HB SER 2 23.319 -9.062 -32.369 8 HG SER 2 HG SER 2 23.379 -11.534 -32.384 9 H GLY 3 H GLY 3 20.485 -7.412 -29.623 10 HA2 GLY 3 2HA GLY 3 20.707 -5.113 -31.082 11 HA3 GLY 3 3HA GLY 3 19.338 -5.941 -31.802 12 H ARG 4 H ARG 4 19.603 -3.421 -30.177 13 HA ARG 4 HA ARG 4 17.757 -4.127 -27.990 14 HB2 ARG 4 2HB ARG 4 19.952 -2.171 -28.240 15 HB3 ARG 4 3HB ARG 4 18.503 -1.554 -27.472 16 HG2 ARG 4 2HG ARG 4 19.651 -2.335 -25.662 17 HG3 ARG 4 3HG ARG 4 18.665 -3.738 -26.052 18 HD2 ARG 4 2HD ARG 4 20.958 -4.019 -27.607 19 HD3 ARG 4 3HD ARG 4 21.543 -3.433 -26.059 20 HE ARG 4 HE ARG 4 20.500 -6.020 -26.628 21 HH11 ARG 4 1HH1 ARG 4 20.760 -3.593 -24.147 22 HH12 ARG 4 2HH1 ARG 4 20.628 -4.728 -22.838 23 HH21 ARG 4 1HH2 ARG 4 20.329 -7.519 -24.922 24 HH22 ARG 4 2HH2 ARG 4 20.380 -6.961 -23.278 25 H GLY 5 H GLY 5 15.792 -3.147 -27.834 26 HA2 GLY 5 2HA GLY 5 15.107 -1.166 -29.913 27 HA3 GLY 5 3HA GLY 5 14.068 -2.547 -29.611 28 H SER 6 H SER 6 14.089 0.585 -29.183 29 HA SER 6 HA SER 6 13.659 1.037 -26.444 30 HB2 SER 6 2HB SER 6 12.917 3.175 -27.050 31 HB3 SER 6 3HB SER 6 14.008 2.742 -28.371 32 HG SER 6 HG SER 6 12.223 3.449 -29.377 33 H CYS 7 H CYS 7 11.784 1.178 -25.221 34 HA CYS 7 HA CYS 7 9.824 -0.759 -25.635 35 HB2 CYS 7 2HB CYS 7 9.829 1.717 -23.901 36 HB3 CYS 7 3HB CYS 7 8.527 0.534 -23.872 37 H ARG 8 H ARG 8 10.035 2.498 -26.794 38 HA ARG 8 HA ARG 8 7.264 2.809 -27.430 39 HB2 ARG 8 2HB ARG 8 9.342 4.532 -27.228 40 HB3 ARG 8 3HB ARG 8 9.240 4.356 -28.985 41 HG2 ARG 8 2HG ARG 8 6.850 4.972 -28.867 42 HG3 ARG 8 3HG ARG 8 7.039 5.247 -27.129 43 HD2 ARG 8 2HD ARG 8 8.927 6.855 -27.776 44 HD3 ARG 8 3HD ARG 8 8.281 6.751 -29.413 45 HE ARG 8 HE ARG 8 6.190 7.375 -27.630 46 HH11 ARG 8 1HH1 ARG 8 9.048 8.791 -29.025 47 HH12 ARG 8 2HH1 ARG 8 8.444 10.414 -28.933 48 HH21 ARG 8 1HH2 ARG 8 5.382 9.503 -27.499 49 HH22 ARG 8 2HH2 ARG 8 6.361 10.812 -28.059 50 H SER 9 H SER 9 10.100 2.528 -29.583 51 HA SER 9 HA SER 9 8.713 2.061 -31.932 52 HB2 SER 9 2HB SER 9 11.445 1.917 -31.050 53 HB3 SER 9 3HB SER 9 11.093 0.529 -32.073 54 HG SER 9 HG SER 9 11.401 3.129 -32.750 55 H GLN 10 H GLN 10 9.745 -0.226 -29.455 56 HA GLN 10 HA GLN 10 9.079 -2.582 -30.852 57 HB2 GLN 10 2HB GLN 10 9.652 -1.875 -28.025 58 HB3 GLN 10 3HB GLN 10 8.823 -3.399 -28.323 59 HG2 GLN 10 2HG GLN 10 11.406 -2.622 -29.652 60 HG3 GLN 10 3HG GLN 10 11.316 -3.533 -28.141 61 HE21 GLN 10 1HE2 GLN 10 11.484 -3.754 -31.452 62 HE22 GLN 10 2HE2 GLN 10 10.995 -5.402 -31.635 63 H CYS 11 H CYS 11 7.282 -0.662 -28.463 64 HA CYS 11 HA CYS 11 4.968 -2.304 -28.503 65 HB2 CYS 11 2HB CYS 11 5.565 0.472 -27.530 66 HB3 CYS 11 3HB CYS 11 3.899 -0.107 -27.571 67 H MET 12 H MET 12 6.089 0.297 -30.507 68 HA MET 12 HA MET 12 3.585 0.948 -31.681 69 HB2 MET 12 2HB MET 12 6.448 1.480 -32.434 70 HB3 MET 12 3HB MET 12 5.125 1.924 -33.517 71 HG2 MET 12 2HG MET 12 4.256 3.013 -31.214 72 HG3 MET 12 3HG MET 12 5.996 3.131 -30.976 73 HE1 MET 12 HE1 MET 12 7.261 4.937 -31.559 74 HE2 MET 12 HE2 MET 12 7.599 4.323 -33.184 75 HE3 MET 12 HE3 MET 12 7.097 6.000 -32.961 76 H ARG 13 H ARG 13 6.266 -1.171 -32.613 77 HA ARG 13 HA ARG 13 5.197 -1.938 -35.115 78 HB2 ARG 13 2HB ARG 13 7.160 -3.332 -33.300 79 HB3 ARG 13 3HB ARG 13 6.784 -3.859 -34.933 80 HG2 ARG 13 2HG ARG 13 7.611 -1.040 -34.609 81 HG3 ARG 13 3HG ARG 13 8.847 -2.267 -34.337 82 HD2 ARG 13 2HD ARG 13 7.099 -2.382 -36.767 83 HD3 ARG 13 3HD ARG 13 8.500 -1.308 -36.721 84 HE ARG 13 HE ARG 13 8.523 -4.152 -37.017 85 HH11 ARG 13 1HH1 ARG 13 10.321 -1.431 -35.791 86 HH12 ARG 13 2HH1 ARG 13 11.853 -2.225 -35.927 87 HH21 ARG 13 1HH2 ARG 13 10.537 -5.200 -37.199 88 HH22 ARG 13 2HH2 ARG 13 11.980 -4.363 -36.738 89 H ARG 14 H ARG 14 4.814 -3.198 -31.858 90 HA ARG 14 HA ARG 14 3.426 -5.562 -32.661 91 HB2 ARG 14 2HB ARG 14 4.714 -5.250 -30.499 92 HB3 ARG 14 3HB ARG 14 3.365 -4.270 -29.940 93 HG2 ARG 14 2HG ARG 14 1.999 -6.419 -30.652 94 HG3 ARG 14 3HG ARG 14 3.547 -7.189 -30.334 95 HD2 ARG 14 2HD ARG 14 3.059 -5.379 -28.223 96 HD3 ARG 14 3HD ARG 14 1.575 -6.294 -28.482 97 HE ARG 14 HE ARG 14 3.694 -8.101 -28.459 98 HH11 ARG 14 1HH1 ARG 14 2.091 -5.905 -26.280 99 HH12 ARG 14 2HH1 ARG 14 2.451 -6.840 -24.872 100 HH21 ARG 14 1HH2 ARG 14 4.179 -9.343 -26.610 101 HH22 ARG 14 2HH2 ARG 14 3.636 -8.800 -25.050 102 H HIS 15 H HIS 15 2.545 -2.282 -31.990 103 HA HIS 15 HA HIS 15 -0.304 -3.012 -32.231 104 HB2 HIS 15 2HB HIS 15 0.859 -0.578 -30.858 105 HB3 HIS 15 3HB HIS 15 -0.851 -1.017 -30.943 106 HD1 HIS 15 HD1 HIS 15 -1.134 -3.704 -29.937 107 HD2 HIS 15 HD2 HIS 15 1.836 -1.224 -28.432 108 HE1 HIS 15 HE1 HIS 15 -0.533 -4.663 -27.696 109 H GLU 16 H GLU 16 1.224 -2.727 -34.510 110 HA GLU 16 HA GLU 16 1.249 -0.119 -35.595 111 HB2 GLU 16 2HB GLU 16 2.506 -2.175 -36.432 112 HB3 GLU 16 3HB GLU 16 0.994 -2.668 -37.184 113 HG2 GLU 16 2HG GLU 16 1.613 -1.490 -38.959 114 HG3 GLU 16 3HG GLU 16 1.315 -0.039 -38.006 115 H ASP 17 H ASP 17 -1.244 -2.497 -35.252 116 HA ASP 17 HA ASP 17 -3.012 -1.195 -37.159 117 HB2 ASP 17 2HB ASP 17 -2.837 -3.749 -36.625 118 HB3 ASP 17 3HB ASP 17 -3.897 -3.341 -35.268 119 H GLU 18 H GLU 18 -2.397 -1.243 -33.747 120 HA GLU 18 HA GLU 18 -4.474 0.792 -33.385 121 HB2 GLU 18 2HB GLU 18 -4.092 -1.401 -31.368 122 HB3 GLU 18 3HB GLU 18 -5.383 -0.216 -31.435 123 HG2 GLU 18 2HG GLU 18 -6.023 -1.304 -33.652 124 HG3 GLU 18 3HG GLU 18 -4.954 -2.617 -33.177 125 HA PRO 19 HA PRO 19 -0.352 1.900 -31.531 126 HB2 PRO 19 2HB PRO 19 -0.200 4.350 -32.694 127 HB3 PRO 19 3HB PRO 19 0.382 2.869 -33.479 128 HG2 PRO 19 2HG PRO 19 -2.202 4.329 -33.880 129 HG3 PRO 19 3HG PRO 19 -1.120 3.612 -35.087 130 HD2 PRO 19 2HD PRO 19 -3.383 2.387 -34.243 131 HD3 PRO 19 3HD PRO 19 -1.930 1.483 -34.734 132 H TRP 20 H TRP 20 -3.548 2.949 -31.420 133 HA TRP 20 HA TRP 20 -3.246 5.298 -29.837 134 HB2 TRP 20 2HB TRP 20 -5.423 3.705 -30.899 135 HB3 TRP 20 3HB TRP 20 -5.756 4.217 -29.247 136 HD1 TRP 20 HD1 TRP 20 -4.422 5.968 -32.464 137 HE1 TRP 20 HE1 TRP 20 -5.558 8.265 -32.628 138 HE3 TRP 20 HE3 TRP 20 -7.235 5.794 -28.201 139 HZ2 TRP 20 HZ2 TRP 20 -7.405 9.807 -31.148 140 HZ3 TRP 20 HZ3 TRP 20 -8.656 7.718 -27.650 141 HH2 TRP 20 HH2 TRP 20 -8.733 9.690 -29.093 142 H ARG 21 H ARG 21 -3.018 1.957 -29.169 143 HA ARG 21 HA ARG 21 -3.369 2.419 -26.284 144 HB2 ARG 21 2HB ARG 21 -3.340 -0.124 -26.178 145 HB3 ARG 21 3HB ARG 21 -4.729 0.615 -26.966 146 HG2 ARG 21 2HG ARG 21 -3.965 0.022 -29.110 147 HG3 ARG 21 3HG ARG 21 -2.349 -0.374 -28.509 148 HD2 ARG 21 2HD ARG 21 -4.901 -1.850 -27.842 149 HD3 ARG 21 3HD ARG 21 -3.675 -2.380 -29.006 150 HE ARG 21 HE ARG 21 -2.653 -1.916 -26.360 151 HH11 ARG 21 1HH1 ARG 21 -4.157 -4.226 -28.478 152 HH12 ARG 21 2HH1 ARG 21 -3.573 -5.602 -27.605 153 HH21 ARG 21 1HH2 ARG 21 -1.874 -3.719 -25.194 154 HH22 ARG 21 2HH2 ARG 21 -2.279 -5.321 -25.742 155 H VAL 22 H VAL 22 -0.982 2.722 -28.347 156 HA VAL 22 HA VAL 22 1.098 1.051 -27.608 157 HB VAL 22 HB VAL 22 1.105 3.927 -28.502 158 HG11 VAL 22 1HG1 VAL 22 3.462 2.163 -27.848 159 HG12 VAL 22 2HG1 VAL 22 3.571 3.591 -28.879 160 HG13 VAL 22 3HG1 VAL 22 3.079 3.762 -27.198 161 HG21 VAL 22 3HG2 VAL 22 1.206 3.106 -30.580 162 HG22 VAL 22 1HG2 VAL 22 2.417 1.897 -30.141 163 HG23 VAL 22 2HG2 VAL 22 0.714 1.567 -29.867 164 H GLN 23 H GLN 23 0.081 4.108 -26.123 165 HA GLN 23 HA GLN 23 2.077 4.430 -24.253 166 HB2 GLN 23 2HB GLN 23 0.320 5.573 -22.858 167 HB3 GLN 23 3HB GLN 23 0.449 6.142 -24.517 168 HG2 GLN 23 2HG GLN 23 -1.471 4.642 -25.086 169 HG3 GLN 23 3HG GLN 23 -1.648 4.334 -23.359 170 HE21 GLN 23 1HE2 GLN 23 -3.642 5.266 -23.147 171 HE22 GLN 23 2HE2 GLN 23 -3.929 6.960 -23.326 172 H GLU 24 H GLU 24 -0.918 2.543 -23.922 173 HA GLU 24 HA GLU 24 -0.563 1.686 -21.300 174 HB2 GLU 24 2HB GLU 24 -2.586 1.405 -22.843 175 HB3 GLU 24 3HB GLU 24 -1.784 -0.052 -23.422 176 HG2 GLU 24 2HG GLU 24 -1.672 -0.379 -20.726 177 HG3 GLU 24 3HG GLU 24 -3.223 0.438 -20.929 178 H CYS 25 H CYS 25 0.776 0.458 -24.296 179 HA CYS 25 HA CYS 25 1.874 -1.915 -23.130 180 HB2 CYS 25 2HB CYS 25 1.391 -1.938 -25.487 181 HB3 CYS 25 3HB CYS 25 2.386 -0.511 -25.759 182 H VAL 26 H VAL 26 3.175 1.251 -24.059 183 HA VAL 26 HA VAL 26 5.857 0.718 -23.386 184 HB VAL 26 HB VAL 26 4.367 3.343 -23.485 185 HG11 VAL 26 1HG1 VAL 26 6.242 3.743 -22.113 186 HG12 VAL 26 2HG1 VAL 26 7.301 2.755 -23.138 187 HG13 VAL 26 3HG1 VAL 26 6.694 4.299 -23.725 188 HG21 VAL 26 3HG2 VAL 26 4.689 1.840 -25.574 189 HG22 VAL 26 1HG2 VAL 26 5.092 3.554 -25.682 190 HG23 VAL 26 2HG2 VAL 26 6.366 2.360 -25.484 191 H SER 27 H SER 27 3.166 2.068 -21.527 192 HA SER 27 HA SER 27 4.495 2.903 -19.259 193 HB2 SER 27 2HB SER 27 1.823 2.539 -20.008 194 HB3 SER 27 3HB SER 27 2.025 1.566 -18.556 195 HG SER 27 HG SER 27 2.398 3.320 -17.404 196 H GLN 28 H GLN 28 3.496 -0.356 -20.179 197 HA GLN 28 HA GLN 28 4.240 -1.547 -17.678 198 HB2 GLN 28 2HB GLN 28 3.686 -2.763 -20.386 199 HB3 GLN 28 3HB GLN 28 3.947 -3.696 -18.915 200 HG2 GLN 28 2HG GLN 28 1.912 -1.689 -18.525 201 HG3 GLN 28 3HG GLN 28 1.528 -2.730 -19.898 202 HE21 GLN 28 1HE2 GLN 28 -0.249 -3.505 -18.649 203 HE22 GLN 28 2HE2 GLN 28 0.008 -4.699 -17.423 204 H CYS 29 H CYS 29 5.675 -1.596 -20.938 205 HA CYS 29 HA CYS 29 7.941 -3.085 -20.354 206 HB2 CYS 29 2HB CYS 29 7.285 -2.504 -22.643 207 HB3 CYS 29 3HB CYS 29 7.648 -0.807 -22.336 208 H ARG 30 H ARG 30 7.645 0.477 -20.422 209 HA ARG 30 HA ARG 30 10.231 1.003 -19.481 210 HB2 ARG 30 2HB ARG 30 9.026 2.775 -20.523 211 HB3 ARG 30 3HB ARG 30 7.689 2.611 -19.394 212 HG2 ARG 30 2HG ARG 30 8.887 3.598 -17.646 213 HG3 ARG 30 3HG ARG 30 10.426 3.406 -18.482 214 HD2 ARG 30 2HD ARG 30 8.573 4.939 -20.066 215 HD3 ARG 30 3HD ARG 30 8.782 5.660 -18.465 216 HE ARG 30 HE ARG 30 11.284 4.969 -19.638 217 HH11 ARG 30 1HH1 ARG 30 8.748 7.347 -19.698 218 HH12 ARG 30 2HH1 ARG 30 9.779 8.623 -20.249 219 HH21 ARG 30 1HH2 ARG 30 12.647 6.637 -20.365 220 HH22 ARG 30 2HH2 ARG 30 11.994 8.225 -20.637 221 H ARG 31 H ARG 31 7.210 1.446 -17.640 222 HA ARG 31 HA ARG 31 8.540 1.491 -15.130 223 HB2 ARG 31 2HB ARG 31 5.617 0.893 -15.539 224 HB3 ARG 31 3HB ARG 31 6.387 1.650 -14.154 225 HG2 ARG 31 2HG ARG 31 7.025 3.281 -16.321 226 HG3 ARG 31 3HG ARG 31 5.330 2.842 -16.537 227 HD2 ARG 31 2HD ARG 31 4.660 3.947 -14.677 228 HD3 ARG 31 3HD ARG 31 6.161 3.626 -13.813 229 HE ARG 31 HE ARG 31 6.431 5.483 -16.002 230 HH11 ARG 31 1HH1 ARG 31 5.717 5.106 -12.611 231 HH12 ARG 31 2HH1 ARG 31 6.146 6.735 -12.208 232 HH21 ARG 31 1HH2 ARG 31 7.000 7.623 -15.483 233 HH22 ARG 31 2HH2 ARG 31 6.871 8.165 -13.840 234 H ARG 32 H ARG 32 9.761 -0.354 -14.847 235 HA ARG 32 HA ARG 32 8.509 -2.956 -15.065 236 HB2 ARG 32 2HB ARG 32 10.728 -3.848 -14.535 237 HB3 ARG 32 3HB ARG 32 10.818 -2.671 -15.843 238 HG2 ARG 32 2HG ARG 32 11.466 -0.962 -14.105 239 HG3 ARG 32 3HG ARG 32 11.634 -2.311 -12.974 240 HD2 ARG 32 2HD ARG 32 13.762 -2.287 -13.716 241 HD3 ARG 32 3HD ARG 32 13.086 -3.265 -15.020 242 HE ARG 32 HE ARG 32 13.515 -1.558 -16.464 243 HH11 ARG 32 1HH1 ARG 32 13.541 -0.301 -13.214 244 HH12 ARG 32 2HH1 ARG 32 14.087 1.276 -13.686 245 HH21 ARG 32 1HH2 ARG 32 14.221 0.519 -17.101 246 HH22 ARG 32 2HH2 ARG 32 14.470 1.738 -15.898 247 H ARG 33 H ARG 33 7.273 -1.377 -13.148 248 HA ARG 33 HA ARG 33 8.293 -1.927 -10.541 249 HB2 ARG 33 2HB ARG 33 6.282 -0.908 -9.715 250 HB3 ARG 33 3HB ARG 33 6.848 0.024 -11.091 251 HG2 ARG 33 2HG ARG 33 4.699 -0.094 -11.726 252 HG3 ARG 33 3HG ARG 33 5.173 -1.680 -12.331 253 HD2 ARG 33 2HD ARG 33 3.155 -1.944 -11.066 254 HD3 ARG 33 3HD ARG 33 4.485 -2.638 -10.128 255 HE ARG 33 HE ARG 33 4.112 -1.060 -8.520 256 HH11 ARG 33 1HH1 ARG 33 2.547 -0.051 -11.462 257 HH12 ARG 33 2HH1 ARG 33 1.741 1.293 -10.725 258 HH21 ARG 33 1HH2 ARG 33 3.061 0.712 -7.542 259 HH22 ARG 33 2HH2 ARG 33 2.028 1.733 -8.497 260 H GLY 34 H GLY 34 6.518 -3.721 -12.819 261 HA2 GLY 34 2HA GLY 34 5.214 -5.416 -10.846 262 HA3 GLY 34 3HA GLY 34 5.087 -5.563 -12.588 263 H GLY 35 H GLY 35 5.886 -7.429 -13.277 264 HA2 GLY 35 2HA GLY 35 8.511 -8.285 -12.326 265 HA3 GLY 35 3HA GLY 35 7.172 -9.401 -12.097 266 H GLY 36 H GLY 36 6.946 -10.888 -13.623 267 HA2 GLY 36 2HA GLY 36 8.519 -10.992 -15.930 268 HA3 GLY 36 3HA GLY 36 7.091 -11.972 -15.638 269 H ASP 37 H ASP 37 8.161 -10.559 -18.063 270 HA ASP 37 HA ASP 37 6.050 -8.627 -18.621 271 HB2 ASP 37 2HB ASP 37 7.283 -7.963 -20.504 272 HB3 ASP 37 3HB ASP 37 8.514 -8.335 -19.287 Start of MODEL 4 1 H1 GLY 1 H GLY 1 17.739 -6.875 -22.154 2 HA2 GLY 1 2HA GLY 1 16.396 -8.718 -22.552 3 HA3 GLY 1 3HA GLY 1 15.190 -7.462 -22.752 4 H SER 2 H SER 2 15.290 -6.426 -25.039 5 HA SER 2 HA SER 2 15.060 -8.624 -26.926 6 HB2 SER 2 2HB SER 2 14.373 -5.705 -27.310 7 HB3 SER 2 3HB SER 2 13.907 -7.040 -28.359 8 HG SER 2 HG SER 2 12.171 -6.815 -27.105 9 H GLY 3 H GLY 3 16.292 -5.296 -27.305 10 HA2 GLY 3 2HA GLY 3 18.927 -5.854 -27.919 11 HA3 GLY 3 3HA GLY 3 18.049 -6.060 -29.425 12 H ARG 4 H ARG 4 17.298 -4.296 -30.535 13 HA ARG 4 HA ARG 4 18.270 -1.701 -29.535 14 HB2 ARG 4 2HB ARG 4 17.784 -2.825 -32.271 15 HB3 ARG 4 3HB ARG 4 17.776 -1.081 -32.031 16 HG2 ARG 4 2HG ARG 4 19.991 -0.996 -31.976 17 HG3 ARG 4 3HG ARG 4 20.074 -2.301 -30.793 18 HD2 ARG 4 2HD ARG 4 21.164 -3.283 -32.551 19 HD3 ARG 4 3HD ARG 4 19.512 -3.788 -32.888 20 HE ARG 4 HE ARG 4 19.597 -2.577 -34.808 21 HH11 ARG 4 1HH1 ARG 4 21.999 -1.342 -32.614 22 HH12 ARG 4 2HH1 ARG 4 22.657 -0.213 -33.760 23 HH21 ARG 4 1HH2 ARG 4 20.456 -1.103 -36.327 24 HH22 ARG 4 2HH2 ARG 4 21.779 -0.083 -35.868 25 H GLY 5 H GLY 5 16.904 0.194 -30.512 26 HA2 GLY 5 2HA GLY 5 14.904 1.336 -30.555 27 HA3 GLY 5 3HA GLY 5 14.106 -0.194 -30.857 28 H SER 6 H SER 6 13.702 2.237 -28.986 29 HA SER 6 HA SER 6 13.859 1.150 -26.353 30 HB2 SER 6 2HB SER 6 13.795 3.659 -27.168 31 HB3 SER 6 3HB SER 6 12.046 3.441 -27.011 32 HG SER 6 HG SER 6 14.006 3.065 -24.987 33 H CYS 7 H CYS 7 11.616 1.525 -25.044 34 HA CYS 7 HA CYS 7 9.997 -0.668 -25.754 35 HB2 CYS 7 2HB CYS 7 9.555 1.593 -23.800 36 HB3 CYS 7 3HB CYS 7 8.459 0.230 -23.958 37 H ARG 8 H ARG 8 10.009 2.557 -26.839 38 HA ARG 8 HA ARG 8 7.222 2.773 -27.468 39 HB2 ARG 8 2HB ARG 8 9.247 4.571 -27.268 40 HB3 ARG 8 3HB ARG 8 9.165 4.391 -29.014 41 HG2 ARG 8 2HG ARG 8 7.765 6.200 -28.487 42 HG3 ARG 8 3HG ARG 8 6.679 4.843 -28.807 43 HD2 ARG 8 2HD ARG 8 6.923 4.501 -26.204 44 HD3 ARG 8 3HD ARG 8 7.330 6.213 -26.236 45 HE ARG 8 HE ARG 8 4.937 5.615 -27.691 46 HH11 ARG 8 1HH1 ARG 8 6.251 6.247 -24.527 47 HH12 ARG 8 2HH1 ARG 8 4.761 6.832 -23.877 48 HH21 ARG 8 1HH2 ARG 8 2.956 6.380 -26.837 49 HH22 ARG 8 2HH2 ARG 8 2.891 6.909 -25.188 50 H SER 9 H SER 9 10.074 2.587 -29.612 51 HA SER 9 HA SER 9 8.747 2.093 -31.976 52 HB2 SER 9 2HB SER 9 11.452 1.984 -31.048 53 HB3 SER 9 3HB SER 9 11.132 0.561 -32.043 54 HG SER 9 HG SER 9 10.639 1.844 -33.743 55 H GLN 10 H GLN 10 9.693 -0.173 -29.447 56 HA GLN 10 HA GLN 10 9.070 -2.540 -30.874 57 HB2 GLN 10 2HB GLN 10 9.593 -1.828 -28.031 58 HB3 GLN 10 3HB GLN 10 8.786 -3.358 -28.354 59 HG2 GLN 10 2HG GLN 10 11.377 -2.555 -29.641 60 HG3 GLN 10 3HG GLN 10 11.277 -3.462 -28.129 61 HE21 GLN 10 1HE2 GLN 10 10.838 -3.534 -31.567 62 HE22 GLN 10 2HE2 GLN 10 10.624 -5.239 -31.719 63 H CYS 11 H CYS 11 7.253 -0.714 -28.408 64 HA CYS 11 HA CYS 11 4.935 -2.330 -28.515 65 HB2 CYS 11 2HB CYS 11 5.490 0.457 -27.529 66 HB3 CYS 11 3HB CYS 11 3.851 -0.185 -27.532 67 H MET 12 H MET 12 6.107 0.235 -30.528 68 HA MET 12 HA MET 12 3.602 0.943 -31.700 69 HB2 MET 12 2HB MET 12 6.472 1.438 -32.406 70 HB3 MET 12 3HB MET 12 5.198 1.857 -33.541 71 HG2 MET 12 2HG MET 12 4.158 3.213 -31.714 72 HG3 MET 12 3HG MET 12 5.615 2.944 -30.765 73 HE1 MET 12 HE1 MET 12 5.338 5.323 -34.692 74 HE2 MET 12 HE2 MET 12 5.622 3.580 -34.789 75 HE3 MET 12 HE3 MET 12 4.141 4.192 -34.051 76 H ARG 13 H ARG 13 6.249 -1.215 -32.646 77 HA ARG 13 HA ARG 13 5.146 -1.965 -35.139 78 HB2 ARG 13 2HB ARG 13 7.123 -3.377 -33.345 79 HB3 ARG 13 3HB ARG 13 6.735 -3.888 -34.974 80 HG2 ARG 13 2HG ARG 13 7.777 -2.051 -35.935 81 HG3 ARG 13 3HG ARG 13 7.706 -1.118 -34.442 82 HD2 ARG 13 2HD ARG 13 9.311 -2.753 -33.448 83 HD3 ARG 13 3HD ARG 13 9.465 -3.493 -35.044 84 HE ARG 13 HE ARG 13 10.700 -1.076 -34.138 85 HH11 ARG 13 1HH1 ARG 13 9.400 -2.684 -36.936 86 HH12 ARG 13 2HH1 ARG 13 10.386 -1.805 -38.067 87 HH21 ARG 13 1HH2 ARG 13 12.007 0.084 -35.601 88 HH22 ARG 13 2HH2 ARG 13 11.872 -0.237 -37.297 89 H ARG 14 H ARG 14 4.809 -3.222 -31.868 90 HA ARG 14 HA ARG 14 3.391 -5.592 -32.646 91 HB2 ARG 14 2HB ARG 14 4.687 -5.263 -30.500 92 HB3 ARG 14 3HB ARG 14 3.352 -4.262 -29.940 93 HG2 ARG 14 2HG ARG 14 1.915 -6.055 -29.774 94 HG3 ARG 14 3HG ARG 14 2.829 -7.032 -30.916 95 HD2 ARG 14 2HD ARG 14 4.657 -6.654 -28.943 96 HD3 ARG 14 3HD ARG 14 3.153 -6.703 -28.018 97 HE ARG 14 HE ARG 14 2.992 -8.936 -28.472 98 HH11 ARG 14 1HH1 ARG 14 5.316 -7.505 -30.629 99 HH12 ARG 14 2HH1 ARG 14 5.845 -9.015 -31.279 100 HH21 ARG 14 1HH2 ARG 14 3.693 -10.943 -29.313 101 HH22 ARG 14 2HH2 ARG 14 4.927 -10.978 -30.523 102 H HIS 15 H HIS 15 2.529 -2.300 -31.995 103 HA HIS 15 HA HIS 15 -0.321 -3.017 -32.233 104 HB2 HIS 15 2HB HIS 15 0.849 -0.593 -30.858 105 HB3 HIS 15 3HB HIS 15 -0.866 -1.017 -30.944 106 HD1 HIS 15 HD1 HIS 15 -1.162 -3.712 -29.947 107 HD2 HIS 15 HD2 HIS 15 1.809 -1.236 -28.431 108 HE1 HIS 15 HE1 HIS 15 -0.571 -4.671 -27.699 109 H GLU 16 H GLU 16 1.186 -2.754 -34.513 110 HA GLU 16 HA GLU 16 1.223 -0.140 -35.604 111 HB2 GLU 16 2HB GLU 16 2.536 -2.058 -36.497 112 HB3 GLU 16 3HB GLU 16 1.039 -2.777 -37.069 113 HG2 GLU 16 2HG GLU 16 1.986 -1.739 -38.939 114 HG3 GLU 16 3HG GLU 16 0.694 -0.666 -38.414 115 H ASP 17 H ASP 17 -1.278 -2.513 -35.251 116 HA ASP 17 HA ASP 17 -3.041 -1.203 -37.158 117 HB2 ASP 17 2HB ASP 17 -2.989 -3.698 -36.827 118 HB3 ASP 17 3HB ASP 17 -3.708 -3.443 -35.232 119 H GLU 18 H GLU 18 -2.409 -1.212 -33.755 120 HA GLU 18 HA GLU 18 -4.465 0.833 -33.387 121 HB2 GLU 18 2HB GLU 18 -4.109 -1.367 -31.361 122 HB3 GLU 18 3HB GLU 18 -5.379 -0.153 -31.440 123 HG2 GLU 18 2HG GLU 18 -6.173 -1.210 -33.542 124 HG3 GLU 18 3HG GLU 18 -4.970 -2.473 -33.310 125 HA PRO 19 HA PRO 19 -0.328 1.897 -31.537 126 HB2 PRO 19 2HB PRO 19 -0.159 4.343 -32.708 127 HB3 PRO 19 3HB PRO 19 0.412 2.867 -33.490 128 HG2 PRO 19 2HG PRO 19 -2.158 4.348 -33.888 129 HG3 PRO 19 3HG PRO 19 -1.083 3.616 -35.095 130 HD2 PRO 19 2HD PRO 19 -3.354 2.416 -34.242 131 HD3 PRO 19 3HD PRO 19 -1.920 1.495 -34.744 132 H TRP 20 H TRP 20 -3.508 2.981 -31.424 133 HA TRP 20 HA TRP 20 -3.180 5.323 -29.836 134 HB2 TRP 20 2HB TRP 20 -5.474 3.560 -30.593 135 HB3 TRP 20 3HB TRP 20 -5.674 4.663 -29.231 136 HD1 TRP 20 HD1 TRP 20 -4.390 7.276 -30.199 137 HE1 TRP 20 HE1 TRP 20 -5.310 8.576 -32.209 138 HE3 TRP 20 HE3 TRP 20 -6.905 3.491 -32.526 139 HZ2 TRP 20 HZ2 TRP 20 -6.895 8.075 -34.493 140 HZ3 TRP 20 HZ3 TRP 20 -8.107 3.984 -34.619 141 HH2 TRP 20 HH2 TRP 20 -8.100 6.227 -35.578 142 H ARG 21 H ARG 21 -2.994 1.983 -29.175 143 HA ARG 21 HA ARG 21 -3.338 2.450 -26.287 144 HB2 ARG 21 2HB ARG 21 -3.341 -0.096 -26.185 145 HB3 ARG 21 3HB ARG 21 -4.728 0.662 -26.973 146 HG2 ARG 21 2HG ARG 21 -3.968 0.062 -29.119 147 HG3 ARG 21 3HG ARG 21 -2.361 -0.358 -28.512 148 HD2 ARG 21 2HD ARG 21 -4.919 -1.805 -27.851 149 HD3 ARG 21 3HD ARG 21 -3.700 -2.351 -29.008 150 HE ARG 21 HE ARG 21 -2.676 -1.891 -26.362 151 HH11 ARG 21 1HH1 ARG 21 -4.191 -4.184 -28.497 152 HH12 ARG 21 2HH1 ARG 21 -3.617 -5.577 -27.627 153 HH21 ARG 21 1HH2 ARG 21 -1.915 -3.704 -25.208 154 HH22 ARG 21 2HH2 ARG 21 -2.324 -5.300 -25.749 155 H VAL 22 H VAL 22 -0.951 2.724 -28.350 156 HA VAL 22 HA VAL 22 1.104 1.022 -27.613 157 HB VAL 22 HB VAL 22 1.147 3.893 -28.515 158 HG11 VAL 22 1HG1 VAL 22 3.614 3.532 -28.882 159 HG12 VAL 22 2HG1 VAL 22 3.122 3.710 -27.200 160 HG13 VAL 22 3HG1 VAL 22 3.477 2.115 -27.849 161 HG21 VAL 22 3HG2 VAL 22 2.441 1.848 -30.140 162 HG22 VAL 22 1HG2 VAL 22 0.725 1.543 -29.874 163 HG23 VAL 22 2HG2 VAL 22 1.254 3.071 -30.588 164 H GLN 23 H GLN 23 0.136 4.103 -26.134 165 HA GLN 23 HA GLN 23 2.128 4.389 -24.257 166 HB2 GLN 23 2HB GLN 23 0.448 5.617 -22.898 167 HB3 GLN 23 3HB GLN 23 0.479 6.115 -24.577 168 HG2 GLN 23 2HG GLN 23 -1.742 5.928 -24.403 169 HG3 GLN 23 3HG GLN 23 -1.422 4.225 -24.693 170 HE21 GLN 23 1HE2 GLN 23 -3.708 4.759 -23.490 171 HE22 GLN 23 2HE2 GLN 23 -3.651 4.381 -21.807 172 H GLU 24 H GLU 24 -0.856 2.495 -23.996 173 HA GLU 24 HA GLU 24 -0.563 1.664 -21.339 174 HB2 GLU 24 2HB GLU 24 -2.561 1.370 -22.945 175 HB3 GLU 24 3HB GLU 24 -1.748 -0.091 -23.486 176 HG2 GLU 24 2HG GLU 24 -1.695 -0.385 -20.776 177 HG3 GLU 24 3HG GLU 24 -3.233 0.439 -21.023 178 H CYS 25 H CYS 25 0.816 0.398 -24.325 179 HA CYS 25 HA CYS 25 1.901 -1.965 -23.119 180 HB2 CYS 25 2HB CYS 25 1.425 -2.014 -25.465 181 HB3 CYS 25 3HB CYS 25 2.422 -0.592 -25.759 182 H VAL 26 H VAL 26 3.211 1.193 -24.073 183 HA VAL 26 HA VAL 26 5.889 0.665 -23.371 184 HB VAL 26 HB VAL 26 4.399 3.284 -23.522 185 HG11 VAL 26 1HG1 VAL 26 6.665 4.298 -23.676 186 HG12 VAL 26 2HG1 VAL 26 6.316 3.585 -22.101 187 HG13 VAL 26 3HG1 VAL 26 7.352 2.741 -23.250 188 HG21 VAL 26 3HG2 VAL 26 4.721 1.772 -25.587 189 HG22 VAL 26 1HG2 VAL 26 5.162 3.471 -25.717 190 HG23 VAL 26 2HG2 VAL 26 6.413 2.252 -25.487 191 H SER 27 H SER 27 3.184 2.040 -21.556 192 HA SER 27 HA SER 27 4.498 2.904 -19.285 193 HB2 SER 27 2HB SER 27 1.894 2.799 -20.029 194 HB3 SER 27 3HB SER 27 1.917 1.504 -18.830 195 HG SER 27 HG SER 27 1.656 3.159 -17.518 196 H GLN 28 H GLN 28 3.486 -0.356 -20.168 197 HA GLN 28 HA GLN 28 4.195 -1.512 -17.646 198 HB2 GLN 28 2HB GLN 28 3.604 -2.719 -20.339 199 HB3 GLN 28 3HB GLN 28 3.966 -3.680 -18.914 200 HG2 GLN 28 2HG GLN 28 1.998 -2.078 -17.971 201 HG3 GLN 28 3HG GLN 28 1.520 -2.247 -19.664 202 HE21 GLN 28 1HE2 GLN 28 -0.157 -3.602 -19.526 203 HE22 GLN 28 2HE2 GLN 28 -0.096 -5.187 -18.833 204 H CYS 29 H CYS 29 5.663 -1.615 -20.891 205 HA CYS 29 HA CYS 29 7.925 -3.103 -20.264 206 HB2 CYS 29 2HB CYS 29 7.289 -2.557 -22.559 207 HB3 CYS 29 3HB CYS 29 7.657 -0.855 -22.280 208 H ARG 30 H ARG 30 7.649 0.456 -20.385 209 HA ARG 30 HA ARG 30 10.215 1.008 -19.441 210 HB2 ARG 30 2HB ARG 30 8.984 2.768 -20.471 211 HB3 ARG 30 3HB ARG 30 7.652 2.589 -19.336 212 HG2 ARG 30 2HG ARG 30 8.871 3.576 -17.592 213 HG3 ARG 30 3HG ARG 30 10.402 3.413 -18.458 214 HD2 ARG 30 2HD ARG 30 8.507 4.923 -20.016 215 HD3 ARG 30 3HD ARG 30 8.682 5.637 -18.403 216 HE ARG 30 HE ARG 30 10.627 5.627 -20.510 217 HH11 ARG 30 1HH1 ARG 30 10.185 5.698 -17.049 218 HH12 ARG 30 2HH1 ARG 30 11.696 6.485 -16.743 219 HH21 ARG 30 1HH2 ARG 30 12.624 6.664 -20.115 220 HH22 ARG 30 2HH2 ARG 30 13.083 7.033 -18.480 221 H ARG 31 H ARG 31 7.187 1.339 -17.588 222 HA ARG 31 HA ARG 31 8.489 1.493 -15.086 223 HB2 ARG 31 2HB ARG 31 5.634 0.656 -15.565 224 HB3 ARG 31 3HB ARG 31 6.306 1.385 -14.113 225 HG2 ARG 31 2HG ARG 31 6.089 2.741 -16.793 226 HG3 ARG 31 3HG ARG 31 4.975 2.963 -15.442 227 HD2 ARG 31 2HD ARG 31 6.874 3.759 -14.065 228 HD3 ARG 31 3HD ARG 31 7.923 3.623 -15.476 229 HE ARG 31 HE ARG 31 5.954 5.229 -16.362 230 HH11 ARG 31 1HH1 ARG 31 7.931 5.293 -13.502 231 HH12 ARG 31 2HH1 ARG 31 7.896 7.023 -13.353 232 HH21 ARG 31 1HH2 ARG 31 5.903 7.501 -16.191 233 HH22 ARG 31 2HH2 ARG 31 6.741 8.275 -14.887 234 H ARG 32 H ARG 32 7.604 -0.128 -13.293 235 HA ARG 32 HA ARG 32 7.981 -2.164 -12.336 236 HB2 ARG 32 2HB ARG 32 6.813 -3.128 -14.954 237 HB3 ARG 32 3HB ARG 32 6.971 -4.087 -13.497 238 HG2 ARG 32 2HG ARG 32 5.575 -2.067 -12.486 239 HG3 ARG 32 3HG ARG 32 5.058 -1.934 -14.157 240 HD2 ARG 32 2HD ARG 32 4.467 -4.356 -14.091 241 HD3 ARG 32 3HD ARG 32 4.849 -4.354 -12.368 242 HE ARG 32 HE ARG 32 2.818 -3.406 -11.983 243 HH11 ARG 32 1HH1 ARG 32 3.674 -2.859 -15.310 244 HH12 ARG 32 2HH1 ARG 32 2.160 -2.143 -15.728 245 HH21 ARG 32 1HH2 ARG 32 0.807 -2.455 -12.513 246 HH22 ARG 32 2HH2 ARG 32 0.529 -1.906 -14.130 247 H ARG 33 H ARG 33 10.283 -1.153 -13.332 248 HA ARG 33 HA ARG 33 11.576 -3.253 -14.893 249 HB2 ARG 33 2HB ARG 33 13.436 -1.708 -15.110 250 HB3 ARG 33 3HB ARG 33 11.948 -0.885 -15.526 251 HG2 ARG 33 2HG ARG 33 11.920 0.280 -13.459 252 HG3 ARG 33 3HG ARG 33 13.243 -0.693 -12.816 253 HD2 ARG 33 2HD ARG 33 14.206 0.391 -15.211 254 HD3 ARG 33 3HD ARG 33 13.327 1.699 -14.427 255 HE ARG 33 HE ARG 33 14.942 0.493 -12.496 256 HH11 ARG 33 1HH1 ARG 33 15.300 2.300 -15.452 257 HH12 ARG 33 2HH1 ARG 33 16.820 2.996 -14.996 258 HH21 ARG 33 1HH2 ARG 33 16.940 1.405 -11.889 259 HH22 ARG 33 2HH2 ARG 33 17.750 2.487 -12.964 260 H GLY 34 H GLY 34 10.731 -3.558 -12.049 261 HA2 GLY 34 2HA GLY 34 13.261 -3.700 -10.603 262 HA3 GLY 34 3HA GLY 34 11.669 -4.053 -9.956 263 H GLY 35 H GLY 35 10.848 -5.901 -11.970 264 HA2 GLY 35 2HA GLY 35 12.647 -8.148 -11.296 265 HA3 GLY 35 3HA GLY 35 10.907 -8.294 -11.497 266 H GLY 36 H GLY 36 10.369 -7.066 -13.827 267 HA2 GLY 36 2HA GLY 36 11.637 -7.049 -16.076 268 HA3 GLY 36 3HA GLY 36 11.820 -8.762 -15.738 269 H ASP 37 H ASP 37 10.646 -9.501 -17.471 270 HA ASP 37 HA ASP 37 8.830 -9.969 -18.773 271 HB2 ASP 37 2HB ASP 37 7.865 -11.324 -17.218 272 HB3 ASP 37 3HB ASP 37 7.950 -10.098 -15.955 Start of MODEL 5 1 H1 GLY 1 H GLY 1 23.269 -10.762 -35.598 2 HA2 GLY 1 2HA GLY 1 24.189 -9.719 -33.217 3 HA3 GLY 1 3HA GLY 1 24.239 -8.856 -34.745 4 H SER 2 H SER 2 23.525 -8.264 -31.761 5 HA SER 2 HA SER 2 20.882 -7.102 -32.105 6 HB2 SER 2 2HB SER 2 22.527 -6.725 -29.638 7 HB3 SER 2 3HB SER 2 20.780 -6.889 -29.795 8 HG SER 2 HG SER 2 21.268 -9.120 -30.471 9 H GLY 3 H GLY 3 20.546 -4.832 -31.297 10 HA2 GLY 3 2HA GLY 3 22.850 -3.068 -31.684 11 HA3 GLY 3 3HA GLY 3 21.516 -2.898 -32.810 12 H ARG 4 H ARG 4 20.041 -1.417 -32.319 13 HA ARG 4 HA ARG 4 19.922 -0.453 -29.550 14 HB2 ARG 4 2HB ARG 4 20.028 0.877 -32.045 15 HB3 ARG 4 3HB ARG 4 18.430 1.182 -31.373 16 HG2 ARG 4 2HG ARG 4 19.236 2.569 -29.825 17 HG3 ARG 4 3HG ARG 4 20.568 1.495 -29.410 18 HD2 ARG 4 2HD ARG 4 21.943 2.364 -31.085 19 HD3 ARG 4 3HD ARG 4 20.585 3.085 -31.951 20 HE ARG 4 HE ARG 4 20.752 4.275 -29.428 21 HH11 ARG 4 1HH1 ARG 4 22.561 4.099 -32.396 22 HH12 ARG 4 2HH1 ARG 4 23.272 5.667 -32.213 23 HH21 ARG 4 1HH2 ARG 4 21.690 6.345 -29.166 24 HH22 ARG 4 2HH2 ARG 4 22.786 6.940 -30.372 25 H GLY 5 H GLY 5 17.703 0.399 -28.884 26 HA2 GLY 5 2HA GLY 5 15.367 -0.696 -30.058 27 HA3 GLY 5 3HA GLY 5 15.901 -1.708 -28.726 28 H SER 6 H SER 6 13.436 -0.322 -28.817 29 HA SER 6 HA SER 6 13.658 1.151 -26.337 30 HB2 SER 6 2HB SER 6 13.806 3.156 -27.405 31 HB3 SER 6 3HB SER 6 13.224 2.490 -28.927 32 HG SER 6 HG SER 6 11.516 3.628 -28.383 33 H CYS 7 H CYS 7 11.753 1.205 -25.178 34 HA CYS 7 HA CYS 7 9.881 -0.817 -25.667 35 HB2 CYS 7 2HB CYS 7 9.769 1.590 -23.849 36 HB3 CYS 7 3HB CYS 7 8.544 0.323 -23.852 37 H ARG 8 H ARG 8 9.997 2.484 -26.697 38 HA ARG 8 HA ARG 8 7.230 2.759 -27.326 39 HB2 ARG 8 2HB ARG 8 9.300 4.501 -27.117 40 HB3 ARG 8 3HB ARG 8 9.189 4.353 -28.865 41 HG2 ARG 8 2HG ARG 8 6.785 4.947 -28.721 42 HG3 ARG 8 3HG ARG 8 7.000 5.203 -26.986 43 HD2 ARG 8 2HD ARG 8 8.788 6.605 -28.919 44 HD3 ARG 8 3HD ARG 8 7.148 7.206 -28.665 45 HE ARG 8 HE ARG 8 8.518 6.778 -26.201 46 HH11 ARG 8 1HH1 ARG 8 8.179 8.990 -28.866 47 HH12 ARG 8 2HH1 ARG 8 8.654 10.382 -27.948 48 HH21 ARG 8 1HH2 ARG 8 9.144 8.603 -24.982 49 HH22 ARG 8 2HH2 ARG 8 9.210 10.159 -25.737 50 H SER 9 H SER 9 10.046 2.544 -29.514 51 HA SER 9 HA SER 9 8.630 2.096 -31.852 52 HB2 SER 9 2HB SER 9 10.944 2.630 -32.020 53 HB3 SER 9 3HB SER 9 11.416 1.255 -31.021 54 HG SER 9 HG SER 9 11.751 0.828 -33.232 55 H GLN 10 H GLN 10 9.713 -0.194 -29.393 56 HA GLN 10 HA GLN 10 9.101 -2.555 -30.822 57 HB2 GLN 10 2HB GLN 10 9.644 -1.857 -27.981 58 HB3 GLN 10 3HB GLN 10 8.860 -3.393 -28.298 59 HG2 GLN 10 2HG GLN 10 11.420 -2.545 -29.619 60 HG3 GLN 10 3HG GLN 10 11.354 -3.468 -28.118 61 HE21 GLN 10 1HE2 GLN 10 11.874 -3.784 -31.273 62 HE22 GLN 10 2HE2 GLN 10 11.291 -5.392 -31.530 63 H CYS 11 H CYS 11 7.248 -0.679 -28.439 64 HA CYS 11 HA CYS 11 4.976 -2.380 -28.506 65 HB2 CYS 11 2HB CYS 11 5.480 0.406 -27.494 66 HB3 CYS 11 3HB CYS 11 3.860 -0.269 -27.489 67 H MET 12 H MET 12 6.049 0.318 -30.429 68 HA MET 12 HA MET 12 3.544 0.967 -31.593 69 HB2 MET 12 2HB MET 12 6.412 1.507 -32.338 70 HB3 MET 12 3HB MET 12 5.099 1.949 -33.429 71 HG2 MET 12 2HG MET 12 4.176 3.052 -31.170 72 HG3 MET 12 3HG MET 12 5.907 3.127 -30.838 73 HE1 MET 12 HE1 MET 12 6.833 6.285 -32.179 74 HE2 MET 12 HE2 MET 12 5.518 6.220 -30.998 75 HE3 MET 12 HE3 MET 12 6.829 5.050 -30.919 76 H ARG 13 H ARG 13 6.251 -1.082 -32.651 77 HA ARG 13 HA ARG 13 5.117 -1.822 -35.125 78 HB2 ARG 13 2HB ARG 13 7.153 -3.223 -33.391 79 HB3 ARG 13 3HB ARG 13 6.746 -3.724 -35.028 80 HG2 ARG 13 2HG ARG 13 7.383 -0.923 -34.984 81 HG3 ARG 13 3HG ARG 13 8.679 -1.864 -34.227 82 HD2 ARG 13 2HD ARG 13 9.151 -3.019 -36.155 83 HD3 ARG 13 3HD ARG 13 7.523 -2.829 -36.800 84 HE ARG 13 HE ARG 13 9.736 -1.065 -37.199 85 HH11 ARG 13 1HH1 ARG 13 6.265 -1.227 -36.971 86 HH12 ARG 13 2HH1 ARG 13 6.008 0.185 -37.937 87 HH21 ARG 13 1HH2 ARG 13 9.410 0.793 -38.472 88 HH22 ARG 13 2HH2 ARG 13 7.793 1.341 -38.795 89 H ARG 14 H ARG 14 4.855 -3.155 -31.883 90 HA ARG 14 HA ARG 14 3.495 -5.536 -32.679 91 HB2 ARG 14 2HB ARG 14 4.803 -5.207 -30.539 92 HB3 ARG 14 3HB ARG 14 3.443 -4.269 -29.945 93 HG2 ARG 14 2HG ARG 14 2.085 -6.094 -29.731 94 HG3 ARG 14 3HG ARG 14 2.917 -6.994 -30.992 95 HD2 ARG 14 2HD ARG 14 4.695 -6.425 -28.792 96 HD3 ARG 14 3HD ARG 14 3.250 -7.253 -28.233 97 HE ARG 14 HE ARG 14 5.358 -8.360 -29.800 98 HH11 ARG 14 1HH1 ARG 14 1.956 -8.566 -29.087 99 HH12 ARG 14 2HH1 ARG 14 1.826 -10.238 -29.540 100 HH21 ARG 14 1HH2 ARG 14 5.202 -10.561 -30.405 101 HH22 ARG 14 2HH2 ARG 14 3.674 -11.362 -30.281 102 H HIS 15 H HIS 15 2.542 -2.281 -31.962 103 HA HIS 15 HA HIS 15 -0.283 -3.077 -32.183 104 HB2 HIS 15 2HB HIS 15 0.832 -0.636 -30.785 105 HB3 HIS 15 3HB HIS 15 -0.863 -1.115 -30.863 106 HD1 HIS 15 HD1 HIS 15 -1.090 -3.821 -29.899 107 HD2 HIS 15 HD2 HIS 15 1.845 -1.296 -28.378 108 HE1 HIS 15 HE1 HIS 15 -0.441 -4.801 -27.674 109 H GLU 16 H GLU 16 1.308 -2.677 -34.447 110 HA GLU 16 HA GLU 16 1.194 -0.065 -35.485 111 HB2 GLU 16 2HB GLU 16 2.541 -2.054 -36.352 112 HB3 GLU 16 3HB GLU 16 1.068 -2.567 -37.155 113 HG2 GLU 16 2HG GLU 16 1.671 0.208 -37.692 114 HG3 GLU 16 3HG GLU 16 2.991 -0.870 -38.159 115 H ASP 17 H ASP 17 -1.190 -2.541 -35.192 116 HA ASP 17 HA ASP 17 -2.992 -1.349 -37.128 117 HB2 ASP 17 2HB ASP 17 -2.753 -3.875 -36.502 118 HB3 ASP 17 3HB ASP 17 -3.806 -3.459 -35.150 119 H GLU 18 H GLU 18 -2.384 -1.223 -33.713 120 HA GLU 18 HA GLU 18 -4.530 0.749 -33.437 121 HB2 GLU 18 2HB GLU 18 -4.079 -1.353 -31.336 122 HB3 GLU 18 3HB GLU 18 -5.402 -0.204 -31.444 123 HG2 GLU 18 2HG GLU 18 -6.502 -2.000 -32.236 124 HG3 GLU 18 3HG GLU 18 -5.759 -1.502 -33.756 125 HA PRO 19 HA PRO 19 -0.462 2.105 -31.641 126 HB2 PRO 19 2HB PRO 19 -0.461 4.532 -32.866 127 HB3 PRO 19 3HB PRO 19 0.190 3.074 -33.621 128 HG2 PRO 19 2HG PRO 19 -2.475 4.388 -34.013 129 HG3 PRO 19 3HG PRO 19 -1.377 3.701 -35.229 130 HD2 PRO 19 2HD PRO 19 -3.556 2.373 -34.322 131 HD3 PRO 19 3HD PRO 19 -2.066 1.535 -34.818 132 H TRP 20 H TRP 20 -3.711 3.029 -31.547 133 HA TRP 20 HA TRP 20 -3.393 5.356 -29.883 134 HB2 TRP 20 2HB TRP 20 -5.477 4.254 -31.390 135 HB3 TRP 20 3HB TRP 20 -6.005 4.091 -29.712 136 HD1 TRP 20 HD1 TRP 20 -6.912 6.225 -28.551 137 HE1 TRP 20 HE1 TRP 20 -7.165 8.690 -29.244 138 HE3 TRP 20 HE3 TRP 20 -4.221 6.135 -32.903 139 HZ2 TRP 20 HZ2 TRP 20 -6.335 10.377 -31.359 140 HZ3 TRP 20 HZ3 TRP 20 -3.997 8.209 -34.203 141 HH2 TRP 20 HH2 TRP 20 -5.038 10.287 -33.443 142 H ARG 21 H ARG 21 -2.521 2.404 -29.207 143 HA ARG 21 HA ARG 21 -3.324 2.615 -26.394 144 HB2 ARG 21 2HB ARG 21 -3.710 0.208 -26.252 145 HB3 ARG 21 3HB ARG 21 -4.795 0.941 -27.423 146 HG2 ARG 21 2HG ARG 21 -3.916 -0.210 -29.140 147 HG3 ARG 21 3HG ARG 21 -2.267 -0.061 -28.534 148 HD2 ARG 21 2HD ARG 21 -2.507 -2.272 -28.158 149 HD3 ARG 21 3HD ARG 21 -3.286 -1.710 -26.677 150 HE ARG 21 HE ARG 21 -5.350 -1.837 -28.397 151 HH11 ARG 21 1HH1 ARG 21 -2.841 -4.109 -27.595 152 HH12 ARG 21 2HH1 ARG 21 -3.819 -5.502 -27.915 153 HH21 ARG 21 1HH2 ARG 21 -6.657 -3.660 -28.812 154 HH22 ARG 21 2HH2 ARG 21 -5.982 -5.242 -28.607 155 H VAL 22 H VAL 22 -0.874 2.754 -28.421 156 HA VAL 22 HA VAL 22 1.039 0.905 -27.618 157 HB VAL 22 HB VAL 22 1.351 3.744 -28.557 158 HG11 VAL 22 1HG1 VAL 22 3.311 3.285 -27.288 159 HG12 VAL 22 2HG1 VAL 22 3.469 1.677 -27.997 160 HG13 VAL 22 3HG1 VAL 22 3.740 3.116 -28.991 161 HG21 VAL 22 3HG2 VAL 22 2.250 1.418 -30.139 162 HG22 VAL 22 1HG2 VAL 22 0.506 1.634 -29.956 163 HG23 VAL 22 2HG2 VAL 22 1.484 2.913 -30.662 164 H GLN 23 H GLN 23 0.159 4.028 -26.200 165 HA GLN 23 HA GLN 23 2.178 4.328 -24.350 166 HB2 GLN 23 2HB GLN 23 0.517 5.584 -22.980 167 HB3 GLN 23 3HB GLN 23 0.537 6.058 -24.679 168 HG2 GLN 23 2HG GLN 23 -1.685 5.888 -24.477 169 HG3 GLN 23 3HG GLN 23 -1.383 4.175 -24.746 170 HE21 GLN 23 1HE2 GLN 23 -3.648 4.697 -23.542 171 HE22 GLN 23 2HE2 GLN 23 -3.582 4.353 -21.848 172 H GLU 24 H GLU 24 -0.821 2.461 -24.026 173 HA GLU 24 HA GLU 24 -0.517 1.666 -21.369 174 HB2 GLU 24 2HB GLU 24 -2.517 1.346 -22.957 175 HB3 GLU 24 3HB GLU 24 -1.704 -0.118 -23.476 176 HG2 GLU 24 2HG GLU 24 -1.652 -0.377 -20.766 177 HG3 GLU 24 3HG GLU 24 -3.190 0.437 -21.031 178 H CYS 25 H CYS 25 0.857 0.352 -24.326 179 HA CYS 25 HA CYS 25 1.933 -1.990 -23.077 180 HB2 CYS 25 2HB CYS 25 1.466 -2.077 -25.439 181 HB3 CYS 25 3HB CYS 25 2.466 -0.669 -25.741 182 H VAL 26 H VAL 26 3.249 1.150 -24.087 183 HA VAL 26 HA VAL 26 5.926 0.637 -23.377 184 HB VAL 26 HB VAL 26 4.434 3.255 -23.560 185 HG11 VAL 26 1HG1 VAL 26 6.685 4.280 -23.727 186 HG12 VAL 26 2HG1 VAL 26 6.358 3.564 -22.144 187 HG13 VAL 26 3HG1 VAL 26 7.395 2.716 -23.292 188 HG21 VAL 26 3HG2 VAL 26 4.728 1.742 -25.613 189 HG22 VAL 26 1HG2 VAL 26 5.232 3.430 -25.753 190 HG23 VAL 26 2HG2 VAL 26 6.435 2.160 -25.511 191 H SER 27 H SER 27 3.229 2.028 -21.571 192 HA SER 27 HA SER 27 4.538 2.918 -19.321 193 HB2 SER 27 2HB SER 27 2.051 3.111 -19.908 194 HB3 SER 27 3HB SER 27 1.881 1.516 -19.174 195 HG SER 27 HG SER 27 1.835 2.494 -17.335 196 H GLN 28 H GLN 28 3.539 -0.355 -20.159 197 HA GLN 28 HA GLN 28 4.262 -1.479 -17.634 198 HB2 GLN 28 2HB GLN 28 3.735 -2.776 -20.312 199 HB3 GLN 28 3HB GLN 28 3.966 -3.653 -18.815 200 HG2 GLN 28 2HG GLN 28 2.000 -1.990 -18.056 201 HG3 GLN 28 3HG GLN 28 1.635 -2.147 -19.780 202 HE21 GLN 28 1HE2 GLN 28 -0.217 -3.053 -18.146 203 HE22 GLN 28 2HE2 GLN 28 -0.229 -4.782 -18.072 204 H CYS 29 H CYS 29 5.722 -1.619 -20.884 205 HA CYS 29 HA CYS 29 7.976 -3.093 -20.243 206 HB2 CYS 29 2HB CYS 29 7.337 -2.572 -22.542 207 HB3 CYS 29 3HB CYS 29 7.718 -0.869 -22.275 208 H ARG 30 H ARG 30 7.691 0.462 -20.395 209 HA ARG 30 HA ARG 30 10.276 1.031 -19.467 210 HB2 ARG 30 2HB ARG 30 9.042 2.765 -20.526 211 HB3 ARG 30 3HB ARG 30 7.708 2.609 -19.391 212 HG2 ARG 30 2HG ARG 30 8.917 3.625 -17.652 213 HG3 ARG 30 3HG ARG 30 10.446 3.450 -18.503 214 HD2 ARG 30 2HD ARG 30 8.567 4.941 -20.097 215 HD3 ARG 30 3HD ARG 30 8.751 5.668 -18.500 216 HE ARG 30 HE ARG 30 11.308 5.159 -19.356 217 HH11 ARG 30 1HH1 ARG 30 8.587 6.972 -20.559 218 HH12 ARG 30 2HH1 ARG 30 9.557 8.146 -21.370 219 HH21 ARG 30 1HH2 ARG 30 12.602 6.704 -20.439 220 HH22 ARG 30 2HH2 ARG 30 11.844 8.000 -21.301 221 H ARG 31 H ARG 31 7.326 0.227 -17.777 222 HA ARG 31 HA ARG 31 8.061 1.121 -15.202 223 HB2 ARG 31 2HB ARG 31 5.976 -0.588 -16.365 224 HB3 ARG 31 3HB ARG 31 6.425 -1.030 -14.726 225 HG2 ARG 31 2HG ARG 31 5.555 1.709 -15.611 226 HG3 ARG 31 3HG ARG 31 4.543 0.520 -14.791 227 HD2 ARG 31 2HD ARG 31 5.309 1.167 -12.813 228 HD3 ARG 31 3HD ARG 31 6.974 0.873 -13.324 229 HE ARG 31 HE ARG 31 6.413 3.261 -14.442 230 HH11 ARG 31 1HH1 ARG 31 6.081 2.016 -11.206 231 HH12 ARG 31 2HH1 ARG 31 6.327 3.559 -10.453 232 HH21 ARG 31 1HH2 ARG 31 6.738 5.290 -13.462 233 HH22 ARG 31 2HH2 ARG 31 6.697 5.425 -11.738 234 H ARG 32 H ARG 32 8.619 -0.231 -13.350 235 HA ARG 32 HA ARG 32 10.754 -2.061 -14.025 236 HB2 ARG 32 2HB ARG 32 11.243 -2.024 -11.609 237 HB3 ARG 32 3HB ARG 32 11.122 -0.401 -12.273 238 HG2 ARG 32 2HG ARG 32 9.258 0.103 -11.087 239 HG3 ARG 32 3HG ARG 32 8.662 -1.562 -11.112 240 HD2 ARG 32 2HD ARG 32 11.030 -1.655 -9.641 241 HD3 ARG 32 3HD ARG 32 10.205 -0.198 -9.092 242 HE ARG 32 HE ARG 32 8.302 -2.193 -9.143 243 HH11 ARG 32 1HH1 ARG 32 11.304 -1.556 -7.506 244 HH12 ARG 32 2HH1 ARG 32 10.863 -2.439 -6.086 245 HH21 ARG 32 1HH2 ARG 32 7.711 -3.367 -7.270 246 HH22 ARG 32 2HH2 ARG 32 8.824 -3.471 -5.953 247 H ARG 33 H ARG 33 7.568 -2.473 -13.876 248 HA ARG 33 HA ARG 33 7.561 -4.942 -12.317 249 HB2 ARG 33 2HB ARG 33 5.165 -4.925 -12.602 250 HB3 ARG 33 3HB ARG 33 5.681 -3.307 -12.116 251 HG2 ARG 33 2HG ARG 33 4.605 -2.484 -13.863 252 HG3 ARG 33 3HG ARG 33 5.707 -3.355 -14.928 253 HD2 ARG 33 2HD ARG 33 3.635 -4.124 -15.612 254 HD3 ARG 33 3HD ARG 33 4.137 -5.375 -14.478 255 HE ARG 33 HE ARG 33 2.376 -4.815 -13.152 256 HH11 ARG 33 1HH1 ARG 33 3.028 -2.160 -15.305 257 HH12 ARG 33 2HH1 ARG 33 1.648 -1.245 -14.810 258 HH21 ARG 33 1HH2 ARG 33 0.549 -3.616 -12.485 259 HH22 ARG 33 2HH2 ARG 33 0.239 -2.074 -13.209 260 H GLY 34 H GLY 34 7.969 -3.907 -15.529 261 HA2 GLY 34 2HA GLY 34 6.918 -6.278 -16.799 262 HA3 GLY 34 3HA GLY 34 7.858 -4.998 -17.576 263 H GLY 35 H GLY 35 9.900 -5.440 -18.129 264 HA2 GLY 35 2HA GLY 35 11.222 -7.715 -16.797 265 HA3 GLY 35 3HA GLY 35 11.228 -7.555 -18.549 266 H GLY 36 H GLY 36 11.968 -5.196 -19.210 267 HA2 GLY 36 2HA GLY 36 13.504 -3.413 -18.837 268 HA3 GLY 36 3HA GLY 36 14.209 -4.336 -17.525 269 H ASP 37 H ASP 37 15.078 -3.099 -20.275 270 HA ASP 37 HA ASP 37 16.327 -5.427 -21.487 271 HB2 ASP 37 2HB ASP 37 15.294 -3.414 -22.747 272 HB3 ASP 37 3HB ASP 37 16.798 -2.583 -22.352 Start of MODEL 6 1 H1 GLY 1 H GLY 1 26.066 -3.835 -24.331 2 HA2 GLY 1 2HA GLY 1 26.954 -1.969 -23.049 3 HA3 GLY 1 3HA GLY 1 27.770 -1.434 -24.509 4 H SER 2 H SER 2 25.796 -1.520 -26.383 5 HA SER 2 HA SER 2 24.189 0.748 -25.595 6 HB2 SER 2 2HB SER 2 24.040 1.243 -27.813 7 HB3 SER 2 3HB SER 2 25.412 0.132 -27.928 8 HG SER 2 HG SER 2 24.170 -1.271 -28.918 9 H GLY 3 H GLY 3 21.859 0.685 -26.708 10 HA2 GLY 3 2HA GLY 3 20.452 -1.438 -25.316 11 HA3 GLY 3 3HA GLY 3 19.729 -0.029 -26.083 12 H ARG 4 H ARG 4 18.211 -1.869 -26.689 13 HA ARG 4 HA ARG 4 18.858 -2.648 -29.410 14 HB2 ARG 4 2HB ARG 4 18.153 -4.669 -27.278 15 HB3 ARG 4 3HB ARG 4 18.151 -5.013 -29.005 16 HG2 ARG 4 2HG ARG 4 20.556 -4.476 -29.081 17 HG3 ARG 4 3HG ARG 4 20.532 -4.209 -27.332 18 HD2 ARG 4 2HD ARG 4 20.050 -6.487 -26.903 19 HD3 ARG 4 3HD ARG 4 19.640 -6.794 -28.594 20 HE ARG 4 HE ARG 4 22.330 -5.939 -28.368 21 HH11 ARG 4 1HH1 ARG 4 20.262 -8.683 -27.793 22 HH12 ARG 4 2HH1 ARG 4 21.536 -9.842 -27.999 23 HH21 ARG 4 1HH2 ARG 4 24.006 -7.450 -28.634 24 HH22 ARG 4 2HH2 ARG 4 23.664 -9.142 -28.472 25 H GLY 5 H GLY 5 17.181 -0.918 -29.550 26 HA2 GLY 5 2HA GLY 5 15.035 -0.492 -30.324 27 HA3 GLY 5 3HA GLY 5 14.592 -2.149 -29.914 28 H SER 6 H SER 6 14.087 1.032 -29.167 29 HA SER 6 HA SER 6 13.795 0.864 -26.337 30 HB2 SER 6 2HB SER 6 13.056 3.081 -26.425 31 HB3 SER 6 3HB SER 6 14.084 2.974 -27.862 32 HG SER 6 HG SER 6 12.264 3.844 -28.629 33 H CYS 7 H CYS 7 11.743 1.099 -25.180 34 HA CYS 7 HA CYS 7 9.907 -0.915 -25.828 35 HB2 CYS 7 2HB CYS 7 9.812 1.418 -23.920 36 HB3 CYS 7 3HB CYS 7 8.453 0.307 -24.093 37 H ARG 8 H ARG 8 9.976 2.494 -26.625 38 HA ARG 8 HA ARG 8 7.278 2.777 -27.411 39 HB2 ARG 8 2HB ARG 8 9.362 4.493 -27.128 40 HB3 ARG 8 3HB ARG 8 9.313 4.349 -28.883 41 HG2 ARG 8 2HG ARG 8 6.906 4.948 -28.811 42 HG3 ARG 8 3HG ARG 8 7.085 5.253 -27.079 43 HD2 ARG 8 2HD ARG 8 8.622 7.016 -27.455 44 HD3 ARG 8 3HD ARG 8 8.772 6.607 -29.170 45 HE ARG 8 HE ARG 8 6.090 7.230 -28.559 46 HH11 ARG 8 1HH1 ARG 8 9.213 8.733 -28.949 47 HH12 ARG 8 2HH1 ARG 8 8.552 10.254 -29.442 48 HH21 ARG 8 1HH2 ARG 8 5.222 9.236 -29.216 49 HH22 ARG 8 2HH2 ARG 8 6.288 10.538 -29.597 50 H SER 9 H SER 9 10.147 2.547 -29.524 51 HA SER 9 HA SER 9 8.813 2.135 -31.904 52 HB2 SER 9 2HB SER 9 11.539 1.621 -30.920 53 HB3 SER 9 3HB SER 9 11.070 0.676 -32.320 54 HG SER 9 HG SER 9 11.691 3.308 -32.156 55 H GLN 10 H GLN 10 9.791 -0.232 -29.485 56 HA GLN 10 HA GLN 10 9.076 -2.529 -30.963 57 HB2 GLN 10 2HB GLN 10 9.701 -1.934 -28.119 58 HB3 GLN 10 3HB GLN 10 8.845 -3.438 -28.468 59 HG2 GLN 10 2HG GLN 10 11.425 -2.630 -29.798 60 HG3 GLN 10 3HG GLN 10 11.345 -3.600 -28.331 61 HE21 GLN 10 1HE2 GLN 10 10.989 -3.569 -31.740 62 HE22 GLN 10 2HE2 GLN 10 10.669 -5.248 -31.950 63 H CYS 11 H CYS 11 7.350 -0.689 -28.460 64 HA CYS 11 HA CYS 11 5.025 -2.275 -28.467 65 HB2 CYS 11 2HB CYS 11 5.644 0.524 -27.575 66 HB3 CYS 11 3HB CYS 11 3.987 -0.056 -27.563 67 H MET 12 H MET 12 6.053 0.428 -30.445 68 HA MET 12 HA MET 12 3.545 0.990 -31.626 69 HB2 MET 12 2HB MET 12 6.382 1.552 -32.435 70 HB3 MET 12 3HB MET 12 5.032 2.001 -33.471 71 HG2 MET 12 2HG MET 12 4.181 3.101 -31.208 72 HG3 MET 12 3HG MET 12 5.912 3.143 -30.888 73 HE1 MET 12 HE1 MET 12 7.187 3.633 -33.811 74 HE2 MET 12 HE2 MET 12 7.316 5.391 -33.681 75 HE3 MET 12 HE3 MET 12 7.647 4.372 -32.279 76 H ARG 13 H ARG 13 6.255 -1.070 -32.618 77 HA ARG 13 HA ARG 13 5.139 -1.865 -35.089 78 HB2 ARG 13 2HB ARG 13 7.226 -3.139 -33.307 79 HB3 ARG 13 3HB ARG 13 6.788 -3.781 -34.882 80 HG2 ARG 13 2HG ARG 13 7.303 -1.126 -35.408 81 HG3 ARG 13 3HG ARG 13 8.509 -1.555 -34.190 82 HD2 ARG 13 2HD ARG 13 9.408 -1.972 -36.394 83 HD3 ARG 13 3HD ARG 13 9.143 -3.502 -35.565 84 HE ARG 13 HE ARG 13 7.653 -4.065 -37.199 85 HH11 ARG 13 1HH1 ARG 13 8.084 -0.608 -37.226 86 HH12 ARG 13 2HH1 ARG 13 7.121 -0.368 -38.645 87 HH21 ARG 13 1HH2 ARG 13 6.395 -3.761 -39.073 88 HH22 ARG 13 2HH2 ARG 13 6.162 -2.163 -39.697 89 H ARG 14 H ARG 14 4.906 -3.143 -31.816 90 HA ARG 14 HA ARG 14 3.553 -5.553 -32.572 91 HB2 ARG 14 2HB ARG 14 4.873 -5.188 -30.444 92 HB3 ARG 14 3HB ARG 14 3.516 -4.226 -29.864 93 HG2 ARG 14 2HG ARG 14 2.055 -6.207 -30.153 94 HG3 ARG 14 3HG ARG 14 3.479 -7.145 -30.594 95 HD2 ARG 14 2HD ARG 14 4.064 -7.410 -28.465 96 HD3 ARG 14 3HD ARG 14 3.905 -5.690 -28.137 97 HE ARG 14 HE ARG 14 1.338 -6.774 -28.264 98 HH11 ARG 14 1HH1 ARG 14 4.188 -6.989 -26.271 99 HH12 ARG 14 2HH1 ARG 14 3.308 -7.362 -24.829 100 HH21 ARG 14 1HH2 ARG 14 0.171 -7.277 -26.366 101 HH22 ARG 14 2HH2 ARG 14 1.032 -7.529 -24.889 102 H HIS 15 H HIS 15 2.581 -2.296 -31.838 103 HA HIS 15 HA HIS 15 -0.243 -3.110 -32.084 104 HB2 HIS 15 2HB HIS 15 0.849 -0.673 -30.657 105 HB3 HIS 15 3HB HIS 15 -0.844 -1.169 -30.735 106 HD1 HIS 15 HD1 HIS 15 -1.007 -3.898 -29.806 107 HD2 HIS 15 HD2 HIS 15 1.856 -1.322 -28.250 108 HE1 HIS 15 HE1 HIS 15 -0.354 -4.881 -27.587 109 H GLU 16 H GLU 16 1.502 -2.590 -34.293 110 HA GLU 16 HA GLU 16 1.298 0.003 -35.312 111 HB2 GLU 16 2HB GLU 16 2.786 -1.713 -36.237 112 HB3 GLU 16 3HB GLU 16 1.389 -2.600 -36.841 113 HG2 GLU 16 2HG GLU 16 1.513 0.199 -37.699 114 HG3 GLU 16 3HG GLU 16 2.851 -0.800 -38.259 115 H ASP 17 H ASP 17 -1.016 -2.561 -35.122 116 HA ASP 17 HA ASP 17 -2.811 -1.392 -37.073 117 HB2 ASP 17 2HB ASP 17 -2.681 -3.847 -36.768 118 HB3 ASP 17 3HB ASP 17 -3.286 -3.660 -35.119 119 H GLU 18 H GLU 18 -2.289 -1.267 -33.651 120 HA GLU 18 HA GLU 18 -4.501 0.645 -33.415 121 HB2 GLU 18 2HB GLU 18 -4.012 -1.513 -31.354 122 HB3 GLU 18 3HB GLU 18 -5.323 -0.336 -31.385 123 HG2 GLU 18 2HG GLU 18 -6.533 -1.945 -32.329 124 HG3 GLU 18 3HG GLU 18 -5.606 -1.621 -33.794 125 HA PRO 19 HA PRO 19 -0.509 2.114 -31.532 126 HB2 PRO 19 2HB PRO 19 -0.548 4.532 -32.762 127 HB3 PRO 19 3HB PRO 19 0.161 3.092 -33.500 128 HG2 PRO 19 2HG PRO 19 -2.523 4.327 -33.953 129 HG3 PRO 19 3HG PRO 19 -1.382 3.673 -35.133 130 HD2 PRO 19 2HD PRO 19 -3.547 2.293 -34.284 131 HD3 PRO 19 3HD PRO 19 -2.027 1.501 -34.741 132 H TRP 20 H TRP 20 -3.778 2.886 -31.458 133 HA TRP 20 HA TRP 20 -3.628 5.269 -29.866 134 HB2 TRP 20 2HB TRP 20 -5.931 3.369 -30.327 135 HB3 TRP 20 3HB TRP 20 -6.050 4.947 -29.562 136 HD1 TRP 20 HD1 TRP 20 -4.336 6.664 -31.579 137 HE1 TRP 20 HE1 TRP 20 -5.234 7.134 -33.952 138 HE3 TRP 20 HE3 TRP 20 -7.686 2.819 -31.955 139 HZ2 TRP 20 HZ2 TRP 20 -7.118 6.022 -35.737 140 HZ3 TRP 20 HZ3 TRP 20 -8.992 2.586 -34.028 141 HH2 TRP 20 HH2 TRP 20 -8.713 4.159 -35.878 142 H ARG 21 H ARG 21 -2.780 2.193 -29.182 143 HA ARG 21 HA ARG 21 -3.381 2.554 -26.320 144 HB2 ARG 21 2HB ARG 21 -3.505 0.024 -26.185 145 HB3 ARG 21 3HB ARG 21 -4.862 0.826 -26.989 146 HG2 ARG 21 2HG ARG 21 -4.150 0.129 -29.111 147 HG3 ARG 21 3HG ARG 21 -2.541 -0.297 -28.527 148 HD2 ARG 21 2HD ARG 21 -5.112 -1.685 -27.779 149 HD3 ARG 21 3HD ARG 21 -3.932 -2.274 -28.948 150 HE ARG 21 HE ARG 21 -2.862 -1.770 -26.325 151 HH11 ARG 21 1HH1 ARG 21 -4.386 -4.097 -28.420 152 HH12 ARG 21 2HH1 ARG 21 -3.805 -5.470 -27.542 153 HH21 ARG 21 1HH2 ARG 21 -2.083 -3.570 -25.155 154 HH22 ARG 21 2HH2 ARG 21 -2.490 -5.175 -25.684 155 H VAL 22 H VAL 22 -1.014 2.846 -28.335 156 HA VAL 22 HA VAL 22 0.990 1.021 -27.633 157 HB VAL 22 HB VAL 22 1.116 3.866 -28.604 158 HG11 VAL 22 1HG1 VAL 22 3.102 3.647 -27.318 159 HG12 VAL 22 2HG1 VAL 22 3.396 2.016 -27.926 160 HG13 VAL 22 3HG1 VAL 22 3.559 3.402 -29.002 161 HG21 VAL 22 3HG2 VAL 22 0.532 1.564 -29.924 162 HG22 VAL 22 1HG2 VAL 22 1.261 2.990 -30.677 163 HG23 VAL 22 2HG2 VAL 22 2.272 1.646 -30.150 164 H GLN 23 H GLN 23 0.051 4.096 -26.158 165 HA GLN 23 HA GLN 23 2.107 4.440 -24.359 166 HB2 GLN 23 2HB GLN 23 0.397 5.592 -22.916 167 HB3 GLN 23 3HB GLN 23 0.469 6.151 -24.584 168 HG2 GLN 23 2HG GLN 23 -1.473 4.637 -25.071 169 HG3 GLN 23 3HG GLN 23 -1.593 4.352 -23.334 170 HE21 GLN 23 1HE2 GLN 23 -2.453 6.360 -25.909 171 HE22 GLN 23 2HE2 GLN 23 -3.173 7.636 -24.992 172 H GLU 24 H GLU 24 -0.879 2.552 -23.920 173 HA GLU 24 HA GLU 24 -0.479 1.736 -21.298 174 HB2 GLU 24 2HB GLU 24 -2.514 1.378 -22.821 175 HB3 GLU 24 3HB GLU 24 -1.672 -0.058 -23.401 176 HG2 GLU 24 2HG GLU 24 -1.538 -0.330 -20.672 177 HG3 GLU 24 3HG GLU 24 -3.126 0.388 -20.926 178 H CYS 25 H CYS 25 0.863 0.469 -24.287 179 HA CYS 25 HA CYS 25 2.024 -1.859 -23.089 180 HB2 CYS 25 2HB CYS 25 1.517 -1.929 -25.432 181 HB3 CYS 25 3HB CYS 25 2.482 -0.496 -25.742 182 H VAL 26 H VAL 26 3.261 1.309 -24.107 183 HA VAL 26 HA VAL 26 5.959 0.860 -23.444 184 HB VAL 26 HB VAL 26 4.395 3.444 -23.566 185 HG11 VAL 26 1HG1 VAL 26 6.614 4.524 -23.746 186 HG12 VAL 26 2HG1 VAL 26 6.332 3.783 -22.176 187 HG13 VAL 26 3HG1 VAL 26 7.368 2.985 -23.352 188 HG21 VAL 26 3HG2 VAL 26 5.245 3.684 -25.763 189 HG22 VAL 26 1HG2 VAL 26 6.360 2.333 -25.555 190 HG23 VAL 26 2HG2 VAL 26 4.621 2.046 -25.650 191 H SER 27 H SER 27 3.245 2.121 -21.560 192 HA SER 27 HA SER 27 4.638 2.985 -19.309 193 HB2 SER 27 2HB SER 27 1.904 2.515 -20.037 194 HB3 SER 27 3HB SER 27 2.190 1.855 -18.419 195 HG SER 27 HG SER 27 2.741 4.503 -19.294 196 H GLN 28 H GLN 28 3.402 -0.228 -20.136 197 HA GLN 28 HA GLN 28 4.202 -1.408 -17.655 198 HB2 GLN 28 2HB GLN 28 3.395 -2.645 -20.285 199 HB3 GLN 28 3HB GLN 28 3.694 -3.556 -18.822 200 HG2 GLN 28 2HG GLN 28 1.872 -1.520 -18.150 201 HG3 GLN 28 3HG GLN 28 1.308 -2.251 -19.655 202 HE21 GLN 28 1HE2 GLN 28 -0.265 -3.597 -19.135 203 HE22 GLN 28 2HE2 GLN 28 -0.197 -4.802 -17.898 204 H CYS 29 H CYS 29 5.432 -1.625 -20.989 205 HA CYS 29 HA CYS 29 7.619 -3.264 -20.507 206 HB2 CYS 29 2HB CYS 29 6.876 -2.684 -22.765 207 HB3 CYS 29 3HB CYS 29 7.363 -1.011 -22.513 208 H ARG 30 H ARG 30 7.372 0.262 -20.281 209 HA ARG 30 HA ARG 30 10.088 0.739 -19.707 210 HB2 ARG 30 2HB ARG 30 8.754 2.575 -20.445 211 HB3 ARG 30 3HB ARG 30 7.588 2.335 -19.147 212 HG2 ARG 30 2HG ARG 30 8.978 3.268 -17.547 213 HG3 ARG 30 3HG ARG 30 10.435 2.995 -18.506 214 HD2 ARG 30 2HD ARG 30 8.645 4.678 -19.971 215 HD3 ARG 30 3HD ARG 30 8.845 5.330 -18.356 216 HE ARG 30 HE ARG 30 11.349 4.616 -19.490 217 HH11 ARG 30 1HH1 ARG 30 8.857 7.039 -19.591 218 HH12 ARG 30 2HH1 ARG 30 9.936 8.304 -20.109 219 HH21 ARG 30 1HH2 ARG 30 12.776 6.265 -20.156 220 HH22 ARG 30 2HH2 ARG 30 12.156 7.858 -20.425 221 H ARG 31 H ARG 31 7.307 0.918 -17.478 222 HA ARG 31 HA ARG 31 8.771 1.044 -15.117 223 HB2 ARG 31 2HB ARG 31 6.755 0.532 -13.973 224 HB3 ARG 31 3HB ARG 31 6.277 1.412 -15.427 225 HG2 ARG 31 2HG ARG 31 5.781 -0.765 -16.499 226 HG3 ARG 31 3HG ARG 31 6.120 -1.558 -14.968 227 HD2 ARG 31 2HD ARG 31 4.378 0.079 -14.000 228 HD3 ARG 31 3HD ARG 31 3.875 0.286 -15.682 229 HE ARG 31 HE ARG 31 3.997 -2.453 -15.129 230 HH11 ARG 31 1HH1 ARG 31 2.144 0.356 -14.231 231 HH12 ARG 31 2HH1 ARG 31 0.701 -0.542 -13.912 232 HH21 ARG 31 1HH2 ARG 31 2.103 -3.648 -14.699 233 HH22 ARG 31 2HH2 ARG 31 0.671 -2.817 -14.172 234 H ARG 32 H ARG 32 9.692 -0.418 -13.766 235 HA ARG 32 HA ARG 32 10.185 -3.061 -14.838 236 HB2 ARG 32 2HB ARG 32 11.793 -3.282 -13.034 237 HB3 ARG 32 3HB ARG 32 12.016 -1.755 -13.858 238 HG2 ARG 32 2HG ARG 32 10.928 -0.572 -12.075 239 HG3 ARG 32 3HG ARG 32 10.516 -2.089 -11.275 240 HD2 ARG 32 2HD ARG 32 12.454 -2.014 -10.193 241 HD3 ARG 32 3HD ARG 32 13.304 -2.106 -11.735 242 HE ARG 32 HE ARG 32 12.603 0.534 -11.457 243 HH11 ARG 32 1HH1 ARG 32 14.444 -1.782 -9.608 244 HH12 ARG 32 2HH1 ARG 32 15.501 -0.583 -8.923 245 HH21 ARG 32 1HH2 ARG 32 13.988 2.112 -10.560 246 HH22 ARG 32 2HH2 ARG 32 15.241 1.621 -9.463 247 H ARG 33 H ARG 33 7.674 -1.843 -13.218 248 HA ARG 33 HA ARG 33 7.381 -4.019 -11.296 249 HB2 ARG 33 2HB ARG 33 5.429 -2.809 -10.483 250 HB3 ARG 33 3HB ARG 33 6.829 -1.734 -10.576 251 HG2 ARG 33 2HG ARG 33 5.974 -0.562 -12.377 252 HG3 ARG 33 3HG ARG 33 4.879 -1.868 -12.838 253 HD2 ARG 33 2HD ARG 33 3.249 -1.020 -11.589 254 HD3 ARG 33 3HD ARG 33 4.300 -0.971 -10.175 255 HE ARG 33 HE ARG 33 4.864 1.176 -11.949 256 HH11 ARG 33 1HH1 ARG 33 2.574 0.084 -9.557 257 HH12 ARG 33 2HH1 ARG 33 2.084 1.690 -9.113 258 HH21 ARG 33 1HH2 ARG 33 4.230 3.288 -11.361 259 HH22 ARG 33 2HH2 ARG 33 3.024 3.508 -10.134 260 H GLY 34 H GLY 34 7.383 -4.833 -13.967 261 HA2 GLY 34 2HA GLY 34 4.540 -5.390 -14.522 262 HA3 GLY 34 3HA GLY 34 5.828 -5.450 -15.717 263 H GLY 35 H GLY 35 7.504 -7.153 -15.387 264 HA2 GLY 35 2HA GLY 35 7.647 -9.271 -13.816 265 HA3 GLY 35 3HA GLY 35 6.151 -9.644 -14.664 266 H GLY 36 H GLY 36 6.449 -9.233 -17.183 267 HA2 GLY 36 2HA GLY 36 8.510 -9.393 -18.768 268 HA3 GLY 36 3HA GLY 36 8.743 -10.922 -17.915 269 H ASP 37 H ASP 37 8.566 -11.365 -20.417 270 HA ASP 37 HA ASP 37 5.822 -11.607 -21.331 271 HB2 ASP 37 2HB ASP 37 7.806 -11.021 -22.826 272 HB3 ASP 37 3HB ASP 37 8.284 -12.717 -22.690 Start of MODEL 7 1 H1 GLY 1 H GLY 1 17.559 -2.394 -38.023 2 HA2 GLY 1 2HA GLY 1 16.011 -4.833 -38.635 3 HA3 GLY 1 3HA GLY 1 17.673 -4.569 -39.133 4 H SER 2 H SER 2 18.558 -3.502 -36.611 5 HA SER 2 HA SER 2 19.120 -5.959 -35.280 6 HB2 SER 2 2HB SER 2 20.704 -3.985 -35.490 7 HB3 SER 2 3HB SER 2 19.725 -3.183 -34.254 8 HG SER 2 HG SER 2 21.048 -4.197 -32.964 9 H GLY 3 H GLY 3 18.742 -6.391 -33.005 10 HA2 GLY 3 2HA GLY 3 16.031 -5.631 -32.259 11 HA3 GLY 3 3HA GLY 3 17.004 -6.899 -31.519 12 H ARG 4 H ARG 4 15.905 -5.700 -29.623 13 HA ARG 4 HA ARG 4 16.066 -4.355 -27.792 14 HB2 ARG 4 2HB ARG 4 18.346 -5.629 -27.923 15 HB3 ARG 4 3HB ARG 4 18.997 -4.050 -28.344 16 HG2 ARG 4 2HG ARG 4 18.854 -3.316 -26.242 17 HG3 ARG 4 3HG ARG 4 17.265 -4.022 -25.998 18 HD2 ARG 4 2HD ARG 4 19.612 -5.835 -26.149 19 HD3 ARG 4 3HD ARG 4 19.370 -4.894 -24.675 20 HE ARG 4 HE ARG 4 16.953 -6.108 -25.299 21 HH11 ARG 4 1HH1 ARG 4 20.171 -7.008 -24.337 22 HH12 ARG 4 2HH1 ARG 4 19.662 -8.455 -23.521 23 HH21 ARG 4 1HH2 ARG 4 16.274 -8.009 -24.231 24 HH22 ARG 4 2HH2 ARG 4 17.450 -9.024 -23.466 25 H GLY 5 H GLY 5 14.889 -2.715 -29.074 26 HA2 GLY 5 2HA GLY 5 16.573 -0.417 -29.798 27 HA3 GLY 5 3HA GLY 5 14.943 -0.698 -30.388 28 H SER 6 H SER 6 13.168 -0.300 -28.999 29 HA SER 6 HA SER 6 13.640 0.919 -26.418 30 HB2 SER 6 2HB SER 6 13.829 2.998 -27.282 31 HB3 SER 6 3HB SER 6 13.149 2.529 -28.839 32 HG SER 6 HG SER 6 11.925 4.012 -27.270 33 H CYS 7 H CYS 7 11.766 1.083 -25.157 34 HA CYS 7 HA CYS 7 9.803 -0.852 -25.568 35 HB2 CYS 7 2HB CYS 7 9.823 1.603 -23.808 36 HB3 CYS 7 3HB CYS 7 8.546 0.395 -23.758 37 H ARG 8 H ARG 8 9.983 2.433 -26.662 38 HA ARG 8 HA ARG 8 7.215 2.749 -27.255 39 HB2 ARG 8 2HB ARG 8 9.303 4.468 -27.061 40 HB3 ARG 8 3HB ARG 8 9.161 4.323 -28.813 41 HG2 ARG 8 2HG ARG 8 6.735 4.900 -28.572 42 HG3 ARG 8 3HG ARG 8 7.053 5.248 -26.868 43 HD2 ARG 8 2HD ARG 8 8.049 7.202 -27.336 44 HD3 ARG 8 3HD ARG 8 8.913 6.542 -28.717 45 HE ARG 8 HE ARG 8 6.179 6.811 -29.351 46 HH11 ARG 8 1HH1 ARG 8 9.018 8.739 -28.771 47 HH12 ARG 8 2HH1 ARG 8 8.500 10.046 -29.771 48 HH21 ARG 8 1HH2 ARG 8 5.480 8.527 -30.686 49 HH22 ARG 8 2HH2 ARG 8 6.489 9.932 -30.867 50 H SER 9 H SER 9 10.010 2.512 -29.456 51 HA SER 9 HA SER 9 8.581 2.068 -31.785 52 HB2 SER 9 2HB SER 9 11.371 1.396 -30.923 53 HB3 SER 9 3HB SER 9 10.771 0.814 -32.485 54 HG SER 9 HG SER 9 11.462 2.738 -33.068 55 H GLN 10 H GLN 10 9.642 -0.206 -29.323 56 HA GLN 10 HA GLN 10 9.053 -2.574 -30.740 57 HB2 GLN 10 2HB GLN 10 9.550 -1.860 -27.901 58 HB3 GLN 10 3HB GLN 10 8.763 -3.402 -28.217 59 HG2 GLN 10 2HG GLN 10 11.348 -2.576 -29.499 60 HG3 GLN 10 3HG GLN 10 11.256 -3.484 -27.996 61 HE21 GLN 10 1HE2 GLN 10 12.564 -4.956 -29.422 62 HE22 GLN 10 2HE2 GLN 10 11.691 -6.123 -30.349 63 H CYS 11 H CYS 11 7.154 -0.681 -28.417 64 HA CYS 11 HA CYS 11 4.880 -2.389 -28.547 65 HB2 CYS 11 2HB CYS 11 5.340 0.396 -27.476 66 HB3 CYS 11 3HB CYS 11 3.741 -0.343 -27.460 67 H MET 12 H MET 12 6.036 0.292 -30.417 68 HA MET 12 HA MET 12 3.542 1.003 -31.606 69 HB2 MET 12 2HB MET 12 6.419 1.573 -32.245 70 HB3 MET 12 3HB MET 12 5.147 2.024 -33.375 71 HG2 MET 12 2HG MET 12 4.120 3.084 -31.162 72 HG3 MET 12 3HG MET 12 5.833 3.157 -30.740 73 HE1 MET 12 HE1 MET 12 7.655 4.621 -33.034 74 HE2 MET 12 HE2 MET 12 7.140 6.078 -32.186 75 HE3 MET 12 HE3 MET 12 7.339 4.568 -31.296 76 H ARG 13 H ARG 13 6.249 -1.052 -32.626 77 HA ARG 13 HA ARG 13 5.147 -1.718 -35.145 78 HB2 ARG 13 2HB ARG 13 7.208 -3.140 -33.444 79 HB3 ARG 13 3HB ARG 13 6.817 -3.577 -35.101 80 HG2 ARG 13 2HG ARG 13 7.388 -0.803 -35.056 81 HG3 ARG 13 3HG ARG 13 8.662 -1.636 -34.163 82 HD2 ARG 13 2HD ARG 13 9.245 -1.481 -36.508 83 HD3 ARG 13 3HD ARG 13 8.960 -3.167 -36.075 84 HE ARG 13 HE ARG 13 6.564 -2.193 -37.039 85 HH11 ARG 13 1HH1 ARG 13 9.801 -2.623 -38.227 86 HH12 ARG 13 2HH1 ARG 13 9.307 -2.859 -39.878 87 HH21 ARG 13 1HH2 ARG 13 5.898 -2.495 -39.202 88 HH22 ARG 13 2HH2 ARG 13 7.080 -2.785 -40.426 89 H ARG 14 H ARG 14 4.896 -3.136 -31.937 90 HA ARG 14 HA ARG 14 3.608 -5.532 -32.785 91 HB2 ARG 14 2HB ARG 14 4.844 -5.181 -30.606 92 HB3 ARG 14 3HB ARG 14 3.454 -4.272 -30.047 93 HG2 ARG 14 2HG ARG 14 2.047 -6.228 -30.285 94 HG3 ARG 14 3HG ARG 14 3.401 -7.148 -30.935 95 HD2 ARG 14 2HD ARG 14 4.344 -6.098 -28.541 96 HD3 ARG 14 3HD ARG 14 2.690 -6.581 -28.191 97 HE ARG 14 HE ARG 14 4.913 -8.306 -28.660 98 HH11 ARG 14 1HH1 ARG 14 1.456 -8.016 -28.972 99 HH12 ARG 14 2HH1 ARG 14 1.182 -9.732 -28.931 100 HH21 ARG 14 1HH2 ARG 14 4.563 -10.557 -28.613 101 HH22 ARG 14 2HH2 ARG 14 2.945 -11.172 -28.726 102 H HIS 15 H HIS 15 2.555 -2.307 -32.063 103 HA HIS 15 HA HIS 15 -0.253 -3.180 -32.391 104 HB2 HIS 15 2HB HIS 15 0.734 -0.737 -30.907 105 HB3 HIS 15 3HB HIS 15 -0.942 -1.289 -31.024 106 HD1 HIS 15 HD1 HIS 15 -1.030 -4.030 -30.133 107 HD2 HIS 15 HD2 HIS 15 1.715 -1.376 -28.479 108 HE1 HIS 15 HE1 HIS 15 -0.390 -5.012 -27.909 109 H GLU 16 H GLU 16 1.123 -2.815 -34.665 110 HA GLU 16 HA GLU 16 1.188 -0.175 -35.669 111 HB2 GLU 16 2HB GLU 16 2.390 -2.132 -36.660 112 HB3 GLU 16 3HB GLU 16 0.851 -2.723 -37.245 113 HG2 GLU 16 2HG GLU 16 2.135 -1.552 -38.973 114 HG3 GLU 16 3HG GLU 16 0.580 -0.779 -38.646 115 H ASP 17 H ASP 17 -1.363 -2.485 -35.304 116 HA ASP 17 HA ASP 17 -3.156 -1.147 -37.134 117 HB2 ASP 17 2HB ASP 17 -3.044 -3.695 -36.215 118 HB3 ASP 17 3HB ASP 17 -4.273 -3.032 -35.151 119 H GLU 18 H GLU 18 -2.697 -1.367 -33.643 120 HA GLU 18 HA GLU 18 -4.533 0.910 -33.338 121 HB2 GLU 18 2HB GLU 18 -4.184 -1.225 -31.252 122 HB3 GLU 18 3HB GLU 18 -5.422 0.025 -31.321 123 HG2 GLU 18 2HG GLU 18 -5.170 -2.329 -33.177 124 HG3 GLU 18 3HG GLU 18 -6.362 -2.119 -31.895 125 HA PRO 19 HA PRO 19 -0.337 1.970 -31.692 126 HB2 PRO 19 2HB PRO 19 -0.257 4.436 -32.822 127 HB3 PRO 19 3HB PRO 19 0.267 2.976 -33.670 128 HG2 PRO 19 2HG PRO 19 -2.328 4.450 -33.865 129 HG3 PRO 19 3HG PRO 19 -1.335 3.750 -35.153 130 HD2 PRO 19 2HD PRO 19 -3.542 2.509 -34.182 131 HD3 PRO 19 3HD PRO 19 -2.134 1.618 -34.786 132 H TRP 20 H TRP 20 -3.507 3.093 -31.391 133 HA TRP 20 HA TRP 20 -3.009 5.359 -29.700 134 HB2 TRP 20 2HB TRP 20 -5.232 4.302 -31.046 135 HB3 TRP 20 3HB TRP 20 -5.623 4.167 -29.334 136 HD1 TRP 20 HD1 TRP 20 -4.716 6.818 -31.981 137 HE1 TRP 20 HE1 TRP 20 -5.595 9.096 -31.170 138 HE3 TRP 20 HE3 TRP 20 -6.324 5.462 -27.313 139 HZ2 TRP 20 HZ2 TRP 20 -6.806 10.183 -28.865 140 HZ3 TRP 20 HZ3 TRP 20 -7.337 7.188 -25.870 141 HH2 TRP 20 HH2 TRP 20 -7.570 9.492 -26.629 142 H ARG 21 H ARG 21 -2.935 1.995 -29.247 143 HA ARG 21 HA ARG 21 -3.370 2.263 -26.352 144 HB2 ARG 21 2HB ARG 21 -3.640 -0.151 -26.310 145 HB3 ARG 21 3HB ARG 21 -4.705 0.543 -27.516 146 HG2 ARG 21 2HG ARG 21 -3.692 -0.506 -29.221 147 HG3 ARG 21 3HG ARG 21 -2.083 -0.293 -28.525 148 HD2 ARG 21 2HD ARG 21 -2.222 -2.528 -28.230 149 HD3 ARG 21 3HD ARG 21 -3.097 -2.048 -26.771 150 HE ARG 21 HE ARG 21 -5.070 -2.219 -28.579 151 HH11 ARG 21 1HH1 ARG 21 -2.485 -4.381 -27.721 152 HH12 ARG 21 2HH1 ARG 21 -3.379 -5.821 -28.113 153 HH21 ARG 21 1HH2 ARG 21 -6.258 -4.100 -29.092 154 HH22 ARG 21 2HH2 ARG 21 -5.519 -5.656 -28.892 155 H VAL 22 H VAL 22 -0.918 2.436 -28.484 156 HA VAL 22 HA VAL 22 1.080 0.718 -27.602 157 HB VAL 22 HB VAL 22 1.235 3.518 -28.698 158 HG11 VAL 22 1HG1 VAL 22 3.676 3.032 -29.039 159 HG12 VAL 22 2HG1 VAL 22 3.193 3.345 -27.371 160 HG13 VAL 22 3HG1 VAL 22 3.484 1.695 -27.910 161 HG21 VAL 22 3HG2 VAL 22 2.294 1.083 -30.044 162 HG22 VAL 22 1HG2 VAL 22 0.554 1.336 -30.013 163 HG23 VAL 22 2HG2 VAL 22 1.613 2.547 -30.744 164 H GLN 23 H GLN 23 0.105 3.864 -26.309 165 HA GLN 23 HA GLN 23 2.109 4.304 -24.474 166 HB2 GLN 23 2HB GLN 23 0.355 5.512 -23.129 167 HB3 GLN 23 3HB GLN 23 0.467 5.993 -24.819 168 HG2 GLN 23 2HG GLN 23 -1.443 4.451 -25.290 169 HG3 GLN 23 3HG GLN 23 -1.617 4.244 -23.546 170 HE21 GLN 23 1HE2 GLN 23 -1.907 6.246 -22.293 171 HE22 GLN 23 2HE2 GLN 23 -2.864 7.511 -22.980 172 H GLU 24 H GLU 24 -0.873 2.430 -24.007 173 HA GLU 24 HA GLU 24 -0.484 1.724 -21.347 174 HB2 GLU 24 2HB GLU 24 -2.537 1.362 -22.843 175 HB3 GLU 24 3HB GLU 24 -1.746 -0.128 -23.350 176 HG2 GLU 24 2HG GLU 24 -1.590 -0.351 -20.663 177 HG3 GLU 24 3HG GLU 24 -3.099 0.530 -20.837 178 H CYS 25 H CYS 25 0.825 0.342 -24.293 179 HA CYS 25 HA CYS 25 1.919 -1.981 -23.025 180 HB2 CYS 25 2HB CYS 25 1.424 -2.108 -25.373 181 HB3 CYS 25 3HB CYS 25 2.423 -0.702 -25.717 182 H VAL 26 H VAL 26 3.230 1.140 -24.094 183 HA VAL 26 HA VAL 26 5.909 0.624 -23.400 184 HB VAL 26 HB VAL 26 4.436 3.244 -23.647 185 HG11 VAL 26 1HG1 VAL 26 7.395 2.697 -23.378 186 HG12 VAL 26 2HG1 VAL 26 6.696 4.252 -23.852 187 HG13 VAL 26 3HG1 VAL 26 6.370 3.590 -22.254 188 HG21 VAL 26 3HG2 VAL 26 4.663 1.725 -25.676 189 HG22 VAL 26 1HG2 VAL 26 5.287 3.361 -25.843 190 HG23 VAL 26 2HG2 VAL 26 6.401 2.020 -25.575 191 H SER 27 H SER 27 3.228 2.095 -21.625 192 HA SER 27 HA SER 27 4.569 3.037 -19.401 193 HB2 SER 27 2HB SER 27 1.815 2.192 -20.000 194 HB3 SER 27 3HB SER 27 2.248 2.086 -18.300 195 HG SER 27 HG SER 27 1.392 4.161 -18.999 196 H GLN 28 H GLN 28 3.543 -0.258 -20.138 197 HA GLN 28 HA GLN 28 4.268 -1.317 -17.580 198 HB2 GLN 28 2HB GLN 28 3.693 -2.664 -20.229 199 HB3 GLN 28 3HB GLN 28 3.968 -3.523 -18.715 200 HG2 GLN 28 2HG GLN 28 1.991 -1.651 -18.137 201 HG3 GLN 28 3HG GLN 28 1.576 -2.287 -19.723 202 HE21 GLN 28 1HE2 GLN 28 -0.096 -3.585 -19.247 203 HE22 GLN 28 2HE2 GLN 28 -0.030 -4.923 -18.161 204 H CYS 29 H CYS 29 5.704 -1.557 -20.830 205 HA CYS 29 HA CYS 29 7.961 -3.021 -20.166 206 HB2 CYS 29 2HB CYS 29 7.312 -2.576 -22.483 207 HB3 CYS 29 3HB CYS 29 7.690 -0.863 -22.265 208 H ARG 30 H ARG 30 7.696 0.526 -20.428 209 HA ARG 30 HA ARG 30 10.283 1.104 -19.524 210 HB2 ARG 30 2HB ARG 30 9.057 2.821 -20.629 211 HB3 ARG 30 3HB ARG 30 7.727 2.701 -19.477 212 HG2 ARG 30 2HG ARG 30 8.964 3.757 -17.781 213 HG3 ARG 30 3HG ARG 30 10.483 3.541 -18.643 214 HD2 ARG 30 2HD ARG 30 8.599 5.005 -20.256 215 HD3 ARG 30 3HD ARG 30 8.807 5.777 -18.683 216 HE ARG 30 HE ARG 30 11.338 5.267 -19.517 217 HH11 ARG 30 1HH1 ARG 30 8.611 6.955 -20.863 218 HH12 ARG 30 2HH1 ARG 30 9.583 8.077 -21.763 219 HH21 ARG 30 1HH2 ARG 30 12.633 6.736 -20.683 220 HH22 ARG 30 2HH2 ARG 30 11.871 7.955 -21.652 221 H ARG 31 H ARG 31 7.272 1.566 -17.672 222 HA ARG 31 HA ARG 31 8.598 1.802 -15.190 223 HB2 ARG 31 2HB ARG 31 5.723 0.979 -15.602 224 HB3 ARG 31 3HB ARG 31 6.418 1.780 -14.196 225 HG2 ARG 31 2HG ARG 31 6.131 2.967 -16.942 226 HG3 ARG 31 3HG ARG 31 5.113 3.320 -15.542 227 HD2 ARG 31 2HD ARG 31 7.512 3.834 -14.477 228 HD3 ARG 31 3HD ARG 31 7.877 4.199 -16.166 229 HE ARG 31 HE ARG 31 5.539 5.521 -15.648 230 HH11 ARG 31 1HH1 ARG 31 8.740 5.499 -14.276 231 HH12 ARG 31 2HH1 ARG 31 8.678 7.156 -13.772 232 HH21 ARG 31 1HH2 ARG 31 5.448 7.705 -14.989 233 HH22 ARG 31 2HH2 ARG 31 6.801 8.413 -14.178 234 H ARG 32 H ARG 32 9.763 0.202 -14.346 235 HA ARG 32 HA ARG 32 9.011 -2.571 -14.734 236 HB2 ARG 32 2HB ARG 32 11.321 -1.500 -13.122 237 HB3 ARG 32 3HB ARG 32 11.122 -3.129 -13.761 238 HG2 ARG 32 2HG ARG 32 11.056 -1.857 -16.059 239 HG3 ARG 32 3HG ARG 32 11.914 -0.617 -15.147 240 HD2 ARG 32 2HD ARG 32 13.297 -2.791 -14.382 241 HD3 ARG 32 3HD ARG 32 12.795 -3.309 -15.995 242 HE ARG 32 HE ARG 32 14.247 -1.778 -16.894 243 HH11 ARG 32 1HH1 ARG 32 13.769 -1.051 -13.523 244 HH12 ARG 32 2HH1 ARG 32 15.017 0.149 -13.481 245 HH21 ARG 32 1HH2 ARG 32 15.879 -0.190 -16.849 246 HH22 ARG 32 2HH2 ARG 32 16.208 0.642 -15.367 247 H ARG 33 H ARG 33 7.637 -0.471 -12.898 248 HA ARG 33 HA ARG 33 7.221 -2.346 -10.694 249 HB2 ARG 33 2HB ARG 33 7.612 -0.814 -8.977 250 HB3 ARG 33 3HB ARG 33 8.942 -0.531 -10.101 251 HG2 ARG 33 2HG ARG 33 7.798 1.407 -11.004 252 HG3 ARG 33 3HG ARG 33 6.439 1.123 -9.922 253 HD2 ARG 33 2HD ARG 33 7.458 2.197 -8.266 254 HD3 ARG 33 3HD ARG 33 8.893 1.189 -8.435 255 HE ARG 33 HE ARG 33 9.917 2.924 -9.501 256 HH11 ARG 33 1HH1 ARG 33 6.466 3.398 -9.666 257 HH12 ARG 33 2HH1 ARG 33 6.583 4.953 -10.414 258 HH21 ARG 33 1HH2 ARG 33 10.088 4.973 -10.482 259 HH22 ARG 33 2HH2 ARG 33 8.646 5.857 -10.879 260 H GLY 34 H GLY 34 5.835 -0.979 -13.141 261 HA2 GLY 34 2HA GLY 34 3.482 0.070 -11.719 262 HA3 GLY 34 3HA GLY 34 3.844 0.317 -13.425 263 H GLY 35 H GLY 35 4.582 -2.668 -13.491 264 HA2 GLY 35 2HA GLY 35 1.962 -3.912 -13.185 265 HA3 GLY 35 3HA GLY 35 2.548 -3.754 -14.836 266 H GLY 36 H GLY 36 4.962 -4.528 -15.036 267 HA2 GLY 36 2HA GLY 36 6.321 -6.276 -13.574 268 HA3 GLY 36 3HA GLY 36 4.948 -7.272 -14.030 269 H ASP 37 H ASP 37 7.358 -8.154 -14.769 270 HA ASP 37 HA ASP 37 8.033 -7.237 -17.423 271 HB2 ASP 37 2HB ASP 37 9.730 -9.055 -17.356 272 HB3 ASP 37 3HB ASP 37 9.840 -7.968 -15.974 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.186 4.555 -40.801 2 HA2 GLY 1 2HA GLY 1 15.778 3.998 -39.289 3 HA3 GLY 1 3HA GLY 1 16.093 2.879 -40.610 4 H SER 2 H SER 2 16.048 1.469 -38.557 5 HA SER 2 HA SER 2 17.180 0.057 -37.178 6 HB2 SER 2 2HB SER 2 18.701 0.062 -39.288 7 HB3 SER 2 3HB SER 2 19.793 1.044 -38.298 8 HG SER 2 HG SER 2 19.555 -1.581 -38.296 9 H GLY 3 H GLY 3 19.293 0.094 -35.631 10 HA2 GLY 3 2HA GLY 3 20.608 1.408 -34.130 11 HA3 GLY 3 3HA GLY 3 19.514 2.759 -34.420 12 H ARG 4 H ARG 4 19.589 -0.506 -33.007 13 HA ARG 4 HA ARG 4 18.356 -1.438 -31.329 14 HB2 ARG 4 2HB ARG 4 18.563 -0.320 -29.231 15 HB3 ARG 4 3HB ARG 4 20.001 0.082 -30.166 16 HG2 ARG 4 2HG ARG 4 19.251 2.271 -30.581 17 HG3 ARG 4 3HG ARG 4 17.600 1.876 -30.087 18 HD2 ARG 4 2HD ARG 4 18.249 2.866 -28.160 19 HD3 ARG 4 3HD ARG 4 18.918 1.271 -27.827 20 HE ARG 4 HE ARG 4 20.915 2.611 -29.139 21 HH11 ARG 4 1HH1 ARG 4 19.026 3.172 -26.268 22 HH12 ARG 4 2HH1 ARG 4 20.280 4.051 -25.458 23 HH21 ARG 4 1HH2 ARG 4 22.568 3.769 -28.093 24 HH22 ARG 4 2HH2 ARG 4 22.294 4.392 -26.498 25 H GLY 5 H GLY 5 16.610 -0.352 -29.439 26 HA2 GLY 5 2HA GLY 5 14.597 1.277 -30.582 27 HA3 GLY 5 3HA GLY 5 14.177 -0.425 -30.776 28 H SER 6 H SER 6 13.674 2.180 -28.878 29 HA SER 6 HA SER 6 13.835 0.994 -26.273 30 HB2 SER 6 2HB SER 6 13.795 3.536 -27.018 31 HB3 SER 6 3HB SER 6 12.053 3.331 -26.849 32 HG SER 6 HG SER 6 13.730 3.836 -24.931 33 H CYS 7 H CYS 7 11.607 1.368 -24.946 34 HA CYS 7 HA CYS 7 9.951 -0.779 -25.709 35 HB2 CYS 7 2HB CYS 7 9.631 1.411 -23.662 36 HB3 CYS 7 3HB CYS 7 8.423 0.145 -23.876 37 H ARG 8 H ARG 8 9.999 2.476 -26.695 38 HA ARG 8 HA ARG 8 7.221 2.788 -27.275 39 HB2 ARG 8 2HB ARG 8 9.312 4.507 -27.098 40 HB3 ARG 8 3HB ARG 8 9.162 4.365 -28.847 41 HG2 ARG 8 2HG ARG 8 6.762 4.956 -28.637 42 HG3 ARG 8 3HG ARG 8 7.030 5.238 -26.908 43 HD2 ARG 8 2HD ARG 8 8.368 7.094 -27.298 44 HD3 ARG 8 3HD ARG 8 8.738 6.608 -28.951 45 HE ARG 8 HE ARG 8 6.067 7.071 -28.987 46 HH11 ARG 8 1HH1 ARG 8 8.839 8.935 -28.004 47 HH12 ARG 8 2HH1 ARG 8 8.119 10.454 -28.399 48 HH21 ARG 8 1HH2 ARG 8 5.103 9.075 -29.515 49 HH22 ARG 8 2HH2 ARG 8 5.989 10.540 -29.262 50 H SER 9 H SER 9 10.022 2.545 -29.478 51 HA SER 9 HA SER 9 8.574 2.087 -31.805 52 HB2 SER 9 2HB SER 9 11.380 1.490 -30.949 53 HB3 SER 9 3HB SER 9 10.788 0.808 -32.475 54 HG SER 9 HG SER 9 11.818 2.946 -32.574 55 H GLN 10 H GLN 10 9.653 -0.171 -29.340 56 HA GLN 10 HA GLN 10 9.078 -2.558 -30.740 57 HB2 GLN 10 2HB GLN 10 9.568 -1.819 -27.907 58 HB3 GLN 10 3HB GLN 10 8.790 -3.366 -28.207 59 HG2 GLN 10 2HG GLN 10 11.375 -2.526 -29.503 60 HG3 GLN 10 3HG GLN 10 11.286 -3.434 -27.987 61 HE21 GLN 10 1HE2 GLN 10 11.940 -3.826 -31.082 62 HE22 GLN 10 2HE2 GLN 10 11.334 -5.428 -31.356 63 H CYS 11 H CYS 11 7.173 -0.652 -28.424 64 HA CYS 11 HA CYS 11 4.895 -2.369 -28.541 65 HB2 CYS 11 2HB CYS 11 5.347 0.408 -27.473 66 HB3 CYS 11 3HB CYS 11 3.754 -0.342 -27.463 67 H MET 12 H MET 12 6.045 0.301 -30.425 68 HA MET 12 HA MET 12 3.551 1.015 -31.599 69 HB2 MET 12 2HB MET 12 6.425 1.589 -32.232 70 HB3 MET 12 3HB MET 12 5.167 2.014 -33.393 71 HG2 MET 12 2HG MET 12 4.119 3.084 -31.155 72 HG3 MET 12 3HG MET 12 5.839 3.217 -30.793 73 HE1 MET 12 HE1 MET 12 7.187 5.129 -33.864 74 HE2 MET 12 HE2 MET 12 7.426 5.302 -32.122 75 HE3 MET 12 HE3 MET 12 7.418 3.699 -32.849 76 H ARG 13 H ARG 13 6.255 -1.032 -32.636 77 HA ARG 13 HA ARG 13 5.140 -1.712 -35.150 78 HB2 ARG 13 2HB ARG 13 7.219 -3.119 -33.458 79 HB3 ARG 13 3HB ARG 13 6.818 -3.567 -35.106 80 HG2 ARG 13 2HG ARG 13 7.436 -0.743 -34.875 81 HG3 ARG 13 3HG ARG 13 8.761 -1.773 -34.305 82 HD2 ARG 13 2HD ARG 13 7.477 -2.598 -36.828 83 HD3 ARG 13 3HD ARG 13 8.366 -1.082 -36.892 84 HE ARG 13 HE ARG 13 9.452 -3.724 -36.665 85 HH11 ARG 13 1HH1 ARG 13 9.989 -0.355 -35.937 86 HH12 ARG 13 2HH1 ARG 13 11.717 -0.511 -35.880 87 HH21 ARG 13 1HH2 ARG 13 11.722 -3.940 -36.591 88 HH22 ARG 13 2HH2 ARG 13 12.704 -2.547 -36.256 89 H ARG 14 H ARG 14 4.926 -3.119 -31.933 90 HA ARG 14 HA ARG 14 3.640 -5.527 -32.761 91 HB2 ARG 14 2HB ARG 14 4.882 -5.157 -30.587 92 HB3 ARG 14 3HB ARG 14 3.477 -4.257 -30.034 93 HG2 ARG 14 2HG ARG 14 2.091 -6.272 -30.401 94 HG3 ARG 14 3HG ARG 14 3.563 -7.158 -30.807 95 HD2 ARG 14 2HD ARG 14 4.149 -7.394 -28.664 96 HD3 ARG 14 3HD ARG 14 3.796 -5.711 -28.308 97 HE ARG 14 HE ARG 14 1.406 -7.214 -28.600 98 HH11 ARG 14 1HH1 ARG 14 4.018 -6.557 -26.391 99 HH12 ARG 14 2HH1 ARG 14 3.084 -6.916 -24.983 100 HH21 ARG 14 1HH2 ARG 14 0.167 -7.689 -26.743 101 HH22 ARG 14 2HH2 ARG 14 0.899 -7.554 -25.184 102 H HIS 15 H HIS 15 2.557 -2.307 -32.047 103 HA HIS 15 HA HIS 15 -0.233 -3.197 -32.365 104 HB2 HIS 15 2HB HIS 15 0.735 -0.736 -30.891 105 HB3 HIS 15 3HB HIS 15 -0.926 -1.307 -31.005 106 HD1 HIS 15 HD1 HIS 15 -0.995 -4.047 -30.095 107 HD2 HIS 15 HD2 HIS 15 1.731 -1.362 -28.471 108 HE1 HIS 15 HE1 HIS 15 -0.346 -5.019 -27.877 109 H GLU 16 H GLU 16 1.124 -2.829 -34.650 110 HA GLU 16 HA GLU 16 1.169 -0.199 -35.659 111 HB2 GLU 16 2HB GLU 16 2.181 -2.474 -36.567 112 HB3 GLU 16 3HB GLU 16 0.681 -2.513 -37.482 113 HG2 GLU 16 2HG GLU 16 1.953 0.076 -37.635 114 HG3 GLU 16 3HG GLU 16 3.033 -1.198 -38.156 115 H ASP 17 H ASP 17 -1.366 -2.517 -35.275 116 HA ASP 17 HA ASP 17 -3.180 -1.208 -37.102 117 HB2 ASP 17 2HB ASP 17 -3.065 -3.741 -36.262 118 HB3 ASP 17 3HB ASP 17 -4.191 -3.119 -35.064 119 H GLU 18 H GLU 18 -2.694 -1.394 -33.611 120 HA GLU 18 HA GLU 18 -4.539 0.871 -33.312 121 HB2 GLU 18 2HB GLU 18 -4.183 -1.251 -31.215 122 HB3 GLU 18 3HB GLU 18 -5.413 -0.003 -31.286 123 HG2 GLU 18 2HG GLU 18 -5.161 -2.367 -33.133 124 HG3 GLU 18 3HG GLU 18 -6.347 -2.169 -31.843 125 HA PRO 19 HA PRO 19 -0.341 1.956 -31.677 126 HB2 PRO 19 2HB PRO 19 -0.271 4.424 -32.823 127 HB3 PRO 19 3HB PRO 19 0.253 2.959 -33.670 128 HG2 PRO 19 2HG PRO 19 -2.358 4.415 -33.851 129 HG3 PRO 19 3HG PRO 19 -1.366 3.720 -35.155 130 HD2 PRO 19 2HD PRO 19 -3.562 2.478 -34.164 131 HD3 PRO 19 3HD PRO 19 -2.151 1.583 -34.767 132 H TRP 20 H TRP 20 -3.523 3.074 -31.375 133 HA TRP 20 HA TRP 20 -3.012 5.334 -29.699 134 HB2 TRP 20 2HB TRP 20 -5.132 4.799 -31.099 135 HB3 TRP 20 3HB TRP 20 -5.599 3.791 -29.725 136 HD1 TRP 20 HD1 TRP 20 -5.941 5.127 -27.347 137 HE1 TRP 20 HE1 TRP 20 -6.759 7.533 -26.913 138 HE3 TRP 20 HE3 TRP 20 -5.147 7.108 -31.984 139 HZ2 TRP 20 HZ2 TRP 20 -7.034 9.938 -28.347 140 HZ3 TRP 20 HZ3 TRP 20 -5.708 9.473 -32.374 141 HH2 TRP 20 HH2 TRP 20 -6.633 10.855 -30.594 142 H ARG 21 H ARG 21 -2.927 1.984 -29.234 143 HA ARG 21 HA ARG 21 -3.349 2.250 -26.341 144 HB2 ARG 21 2HB ARG 21 -3.607 -0.160 -26.287 145 HB3 ARG 21 3HB ARG 21 -4.690 0.526 -27.491 146 HG2 ARG 21 2HG ARG 21 -3.674 -0.525 -29.186 147 HG3 ARG 21 3HG ARG 21 -2.059 -0.305 -28.505 148 HD2 ARG 21 2HD ARG 21 -2.195 -2.539 -28.192 149 HD3 ARG 21 3HD ARG 21 -3.056 -2.049 -26.734 150 HE ARG 21 HE ARG 21 -5.041 -2.247 -28.535 151 HH11 ARG 21 1HH1 ARG 21 -2.446 -4.394 -27.676 152 HH12 ARG 21 2HH1 ARG 21 -3.330 -5.830 -28.062 153 HH21 ARG 21 1HH2 ARG 21 -6.226 -4.131 -29.035 154 HH22 ARG 21 2HH2 ARG 21 -5.485 -5.676 -28.830 155 H VAL 22 H VAL 22 -0.909 2.429 -28.473 156 HA VAL 22 HA VAL 22 1.101 0.726 -27.595 157 HB VAL 22 HB VAL 22 1.238 3.518 -28.714 158 HG11 VAL 22 1HG1 VAL 22 3.202 3.361 -27.393 159 HG12 VAL 22 2HG1 VAL 22 3.496 1.702 -27.909 160 HG13 VAL 22 3HG1 VAL 22 3.679 3.037 -29.057 161 HG21 VAL 22 3HG2 VAL 22 2.300 1.075 -30.042 162 HG22 VAL 22 1HG2 VAL 22 0.556 1.330 -30.006 163 HG23 VAL 22 2HG2 VAL 22 1.613 2.535 -30.755 164 H GLN 23 H GLN 23 0.117 3.878 -26.317 165 HA GLN 23 HA GLN 23 2.130 4.330 -24.491 166 HB2 GLN 23 2HB GLN 23 0.383 5.547 -23.156 167 HB3 GLN 23 3HB GLN 23 0.489 6.018 -24.843 168 HG2 GLN 23 2HG GLN 23 -1.429 4.467 -25.296 169 HG3 GLN 23 3HG GLN 23 -1.585 4.272 -23.550 170 HE21 GLN 23 1HE2 GLN 23 -3.155 5.601 -25.865 171 HE22 GLN 23 2HE2 GLN 23 -3.619 7.121 -25.186 172 H GLU 24 H GLU 24 -0.845 2.456 -24.005 173 HA GLU 24 HA GLU 24 -0.437 1.772 -21.338 174 HB2 GLU 24 2HB GLU 24 -2.503 1.390 -22.826 175 HB3 GLU 24 3HB GLU 24 -1.699 -0.098 -23.323 176 HG2 GLU 24 2HG GLU 24 -1.535 -0.301 -20.628 177 HG3 GLU 24 3HG GLU 24 -3.058 0.570 -20.811 178 H CYS 25 H CYS 25 0.858 0.371 -24.282 179 HA CYS 25 HA CYS 25 1.966 -1.944 -23.000 180 HB2 CYS 25 2HB CYS 25 1.454 -2.086 -25.344 181 HB3 CYS 25 3HB CYS 25 2.449 -0.676 -25.706 182 H VAL 26 H VAL 26 3.251 1.171 -24.107 183 HA VAL 26 HA VAL 26 5.947 0.666 -23.425 184 HB VAL 26 HB VAL 26 4.459 3.278 -23.689 185 HG11 VAL 26 1HG1 VAL 26 6.892 4.118 -24.072 186 HG12 VAL 26 2HG1 VAL 26 6.310 3.887 -22.422 187 HG13 VAL 26 3HG1 VAL 26 7.348 2.673 -23.158 188 HG21 VAL 26 3HG2 VAL 26 5.333 3.394 -25.886 189 HG22 VAL 26 1HG2 VAL 26 6.406 2.011 -25.613 190 HG23 VAL 26 2HG2 VAL 26 4.652 1.772 -25.702 191 H SER 27 H SER 27 3.269 2.129 -21.642 192 HA SER 27 HA SER 27 4.645 3.077 -19.427 193 HB2 SER 27 2HB SER 27 2.447 3.738 -19.365 194 HB3 SER 27 3HB SER 27 1.856 2.171 -19.924 195 HG SER 27 HG SER 27 1.437 2.711 -17.660 196 H GLN 28 H GLN 28 3.447 -0.179 -20.111 197 HA GLN 28 HA GLN 28 4.195 -1.229 -17.559 198 HB2 GLN 28 2HB GLN 28 3.444 -2.564 -20.163 199 HB3 GLN 28 3HB GLN 28 3.773 -3.448 -18.681 200 HG2 GLN 28 2HG GLN 28 1.902 -1.470 -18.003 201 HG3 GLN 28 3HG GLN 28 1.359 -2.170 -19.529 202 HE21 GLN 28 1HE2 GLN 28 -0.323 -3.363 -18.850 203 HE22 GLN 28 2HE2 GLN 28 -0.208 -4.665 -17.731 204 H CYS 29 H CYS 29 5.529 -1.566 -20.845 205 HA CYS 29 HA CYS 29 7.714 -3.160 -20.227 206 HB2 CYS 29 2HB CYS 29 7.036 -2.668 -22.530 207 HB3 CYS 29 3HB CYS 29 7.507 -0.984 -22.327 208 H ARG 30 H ARG 30 7.638 0.392 -20.470 209 HA ARG 30 HA ARG 30 10.281 0.816 -19.619 210 HB2 ARG 30 2HB ARG 30 9.150 2.595 -20.720 211 HB3 ARG 30 3HB ARG 30 7.829 2.577 -19.564 212 HG2 ARG 30 2HG ARG 30 9.167 3.557 -17.883 213 HG3 ARG 30 3HG ARG 30 10.655 3.259 -18.787 214 HD2 ARG 30 2HD ARG 30 8.801 4.812 -20.353 215 HD3 ARG 30 3HD ARG 30 9.074 5.581 -18.789 216 HE ARG 30 HE ARG 30 10.967 5.317 -20.943 217 HH11 ARG 30 1HH1 ARG 30 10.572 5.744 -17.503 218 HH12 ARG 30 2HH1 ARG 30 12.116 6.483 -17.288 219 HH21 ARG 30 1HH2 ARG 30 13.003 6.291 -20.665 220 HH22 ARG 30 2HH2 ARG 30 13.500 6.795 -19.087 221 H ARG 31 H ARG 31 7.295 0.344 -17.853 222 HA ARG 31 HA ARG 31 8.107 1.280 -15.337 223 HB2 ARG 31 2HB ARG 31 5.959 -0.420 -16.397 224 HB3 ARG 31 3HB ARG 31 6.431 -0.835 -14.754 225 HG2 ARG 31 2HG ARG 31 5.679 1.943 -15.645 226 HG3 ARG 31 3HG ARG 31 4.560 0.796 -14.909 227 HD2 ARG 31 2HD ARG 31 6.606 0.732 -13.138 228 HD3 ARG 31 3HD ARG 31 6.717 2.400 -13.699 229 HE ARG 31 HE ARG 31 4.841 2.868 -12.509 230 HH11 ARG 31 1HH1 ARG 31 4.942 -0.568 -13.093 231 HH12 ARG 31 2HH1 ARG 31 3.545 -0.907 -12.136 232 HH21 ARG 31 1HH2 ARG 31 2.990 2.430 -11.238 233 HH22 ARG 31 2HH2 ARG 31 2.437 0.798 -11.079 234 H ARG 32 H ARG 32 9.072 0.312 -13.578 235 HA ARG 32 HA ARG 32 10.490 -1.057 -12.449 236 HB2 ARG 32 2HB ARG 32 9.543 -3.295 -14.235 237 HB3 ARG 32 3HB ARG 32 10.181 -3.416 -12.598 238 HG2 ARG 32 2HG ARG 32 8.135 -2.005 -11.939 239 HG3 ARG 32 3HG ARG 32 7.497 -2.461 -13.513 240 HD2 ARG 32 2HD ARG 32 6.721 -4.291 -12.510 241 HD3 ARG 32 3HD ARG 32 8.401 -4.854 -12.505 242 HE ARG 32 HE ARG 32 8.407 -4.628 -10.243 243 HH11 ARG 32 1HH1 ARG 32 5.861 -2.641 -11.542 244 HH12 ARG 32 2HH1 ARG 32 5.255 -2.168 -9.986 245 HH21 ARG 32 1HH2 ARG 32 7.616 -4.022 -8.187 246 HH22 ARG 32 2HH2 ARG 32 6.256 -2.962 -8.084 247 H ARG 33 H ARG 33 11.825 0.396 -14.159 248 HA ARG 33 HA ARG 33 13.427 -1.331 -15.892 249 HB2 ARG 33 2HB ARG 33 14.378 0.735 -16.765 250 HB3 ARG 33 3HB ARG 33 12.622 0.812 -16.802 251 HG2 ARG 33 2HG ARG 33 12.549 2.302 -14.985 252 HG3 ARG 33 3HG ARG 33 14.237 1.998 -14.561 253 HD2 ARG 33 2HD ARG 33 13.542 3.117 -17.243 254 HD3 ARG 33 3HD ARG 33 13.563 4.180 -15.833 255 HE ARG 33 HE ARG 33 15.941 2.698 -15.900 256 HH11 ARG 33 1HH1 ARG 33 14.325 5.232 -17.659 257 HH12 ARG 33 2HH1 ARG 33 15.790 5.971 -18.204 258 HH21 ARG 33 1HH2 ARG 33 17.884 3.660 -16.621 259 HH22 ARG 33 2HH2 ARG 33 17.815 5.075 -17.612 260 H GLY 34 H GLY 34 13.699 -1.766 -13.111 261 HA2 GLY 34 2HA GLY 34 16.387 -0.657 -12.577 262 HA3 GLY 34 3HA GLY 34 15.257 -1.166 -11.336 263 H GLY 35 H GLY 35 14.448 -3.621 -12.446 264 HA2 GLY 35 2HA GLY 35 16.481 -5.318 -11.509 265 HA3 GLY 35 3HA GLY 35 15.059 -5.835 -12.394 266 H GLY 36 H GLY 36 15.245 -6.397 -14.514 267 HA2 GLY 36 2HA GLY 36 17.958 -6.624 -15.538 268 HA3 GLY 36 3HA GLY 36 16.520 -7.383 -16.208 269 H ASP 37 H ASP 37 16.802 -6.756 -18.312 270 HA ASP 37 HA ASP 37 16.359 -3.899 -18.833 271 HB2 ASP 37 2HB ASP 37 18.807 -4.441 -19.070 272 HB3 ASP 37 3HB ASP 37 18.381 -5.541 -20.375 Start of MODEL 9 1 H1 GLY 1 H GLY 1 22.952 -8.643 -37.541 2 HA2 GLY 1 2HA GLY 1 22.316 -6.375 -37.465 3 HA3 GLY 1 3HA GLY 1 20.837 -7.175 -37.977 4 H SER 2 H SER 2 21.912 -4.899 -35.970 5 HA SER 2 HA SER 2 19.563 -5.003 -34.320 6 HB2 SER 2 2HB SER 2 21.063 -4.783 -32.196 7 HB3 SER 2 3HB SER 2 20.727 -6.387 -32.844 8 HG SER 2 HG SER 2 23.032 -5.678 -32.322 9 H GLY 3 H GLY 3 19.408 -3.085 -32.882 10 HA2 GLY 3 2HA GLY 3 20.922 -0.933 -32.572 11 HA3 GLY 3 3HA GLY 3 20.517 -0.772 -34.274 12 H ARG 4 H ARG 4 19.842 0.863 -31.856 13 HA ARG 4 HA ARG 4 18.085 2.092 -31.094 14 HB2 ARG 4 2HB ARG 4 17.238 1.246 -33.799 15 HB3 ARG 4 3HB ARG 4 15.963 1.832 -32.735 16 HG2 ARG 4 2HG ARG 4 17.611 3.814 -32.347 17 HG3 ARG 4 3HG ARG 4 18.302 3.282 -33.881 18 HD2 ARG 4 2HD ARG 4 15.614 3.272 -34.393 19 HD3 ARG 4 3HD ARG 4 15.789 4.658 -33.318 20 HE ARG 4 HE ARG 4 17.786 4.848 -35.241 21 HH11 ARG 4 1HH1 ARG 4 14.304 4.902 -35.089 22 HH12 ARG 4 2HH1 ARG 4 14.139 5.932 -36.471 23 HH21 ARG 4 1HH2 ARG 4 17.574 6.209 -37.059 24 HH22 ARG 4 2HH2 ARG 4 15.996 6.671 -37.588 25 H GLY 5 H GLY 5 17.520 1.126 -29.202 26 HA2 GLY 5 2HA GLY 5 15.362 -0.882 -29.374 27 HA3 GLY 5 3HA GLY 5 16.675 -1.039 -28.225 28 H SER 6 H SER 6 13.544 -0.020 -28.609 29 HA SER 6 HA SER 6 13.535 1.207 -25.987 30 HB2 SER 6 2HB SER 6 13.702 3.298 -26.817 31 HB3 SER 6 3HB SER 6 13.294 2.788 -28.454 32 HG SER 6 HG SER 6 11.617 4.032 -27.757 33 H CYS 7 H CYS 7 11.553 1.088 -24.974 34 HA CYS 7 HA CYS 7 9.777 -0.907 -25.797 35 HB2 CYS 7 2HB CYS 7 9.508 1.325 -23.787 36 HB3 CYS 7 3HB CYS 7 8.237 0.141 -24.046 37 H ARG 8 H ARG 8 9.874 2.483 -26.529 38 HA ARG 8 HA ARG 8 7.186 2.832 -27.320 39 HB2 ARG 8 2HB ARG 8 9.308 4.491 -27.028 40 HB3 ARG 8 3HB ARG 8 9.260 4.355 -28.782 41 HG2 ARG 8 2HG ARG 8 6.850 5.012 -28.697 42 HG3 ARG 8 3HG ARG 8 7.069 5.328 -26.975 43 HD2 ARG 8 2HD ARG 8 8.759 6.604 -29.103 44 HD3 ARG 8 3HD ARG 8 7.271 7.325 -28.502 45 HE ARG 8 HE ARG 8 8.837 6.768 -26.288 46 HH11 ARG 8 1HH1 ARG 8 9.012 8.765 -29.139 47 HH12 ARG 8 2HH1 ARG 8 9.993 9.984 -28.378 48 HH21 ARG 8 1HH2 ARG 8 10.131 8.357 -25.290 49 HH22 ARG 8 2HH2 ARG 8 10.629 9.748 -26.198 50 H SER 9 H SER 9 10.058 2.536 -29.424 51 HA SER 9 HA SER 9 8.648 2.123 -31.797 52 HB2 SER 9 2HB SER 9 11.440 1.509 -30.899 53 HB3 SER 9 3HB SER 9 10.880 0.873 -32.439 54 HG SER 9 HG SER 9 10.723 3.609 -31.700 55 H GLN 10 H GLN 10 9.667 -0.148 -29.319 56 HA GLN 10 HA GLN 10 9.095 -2.514 -30.788 57 HB2 GLN 10 2HB GLN 10 9.615 -1.841 -27.934 58 HB3 GLN 10 3HB GLN 10 8.863 -3.393 -28.276 59 HG2 GLN 10 2HG GLN 10 11.419 -2.473 -29.560 60 HG3 GLN 10 3HG GLN 10 11.355 -3.418 -28.074 61 HE21 GLN 10 1HE2 GLN 10 11.730 -3.618 -31.319 62 HE22 GLN 10 2HE2 GLN 10 11.253 -5.254 -31.576 63 H CYS 11 H CYS 11 7.220 -0.593 -28.470 64 HA CYS 11 HA CYS 11 4.957 -2.327 -28.519 65 HB2 CYS 11 2HB CYS 11 5.451 0.463 -27.502 66 HB3 CYS 11 3HB CYS 11 3.823 -0.217 -27.514 67 H MET 12 H MET 12 5.990 0.438 -30.386 68 HA MET 12 HA MET 12 3.497 1.033 -31.588 69 HB2 MET 12 2HB MET 12 6.360 1.646 -32.299 70 HB3 MET 12 3HB MET 12 5.043 2.092 -33.380 71 HG2 MET 12 2HG MET 12 4.112 3.100 -31.070 72 HG3 MET 12 3HG MET 12 5.849 3.235 -30.798 73 HE1 MET 12 HE1 MET 12 6.976 6.130 -32.670 74 HE2 MET 12 HE2 MET 12 7.242 4.817 -31.511 75 HE3 MET 12 HE3 MET 12 7.397 4.510 -33.241 76 H ARG 13 H ARG 13 6.268 -0.929 -32.648 77 HA ARG 13 HA ARG 13 5.157 -1.677 -35.138 78 HB2 ARG 13 2HB ARG 13 7.262 -3.014 -33.427 79 HB3 ARG 13 3HB ARG 13 6.866 -3.505 -35.067 80 HG2 ARG 13 2HG ARG 13 7.448 -0.663 -34.852 81 HG3 ARG 13 3HG ARG 13 8.792 -1.675 -34.328 82 HD2 ARG 13 2HD ARG 13 8.272 -2.988 -36.528 83 HD3 ARG 13 3HD ARG 13 7.479 -1.488 -37.005 84 HE ARG 13 HE ARG 13 9.528 -0.490 -37.219 85 HH11 ARG 13 1HH1 ARG 13 9.878 -3.524 -35.532 86 HH12 ARG 13 2HH1 ARG 13 11.610 -3.509 -35.601 87 HH21 ARG 13 1HH2 ARG 13 11.812 -0.469 -37.323 88 HH22 ARG 13 2HH2 ARG 13 12.707 -1.769 -36.615 89 H ARG 14 H ARG 14 4.965 -3.054 -31.915 90 HA ARG 14 HA ARG 14 3.713 -5.490 -32.725 91 HB2 ARG 14 2HB ARG 14 4.974 -5.090 -30.565 92 HB3 ARG 14 3HB ARG 14 3.553 -4.208 -30.000 93 HG2 ARG 14 2HG ARG 14 2.253 -6.115 -29.887 94 HG3 ARG 14 3HG ARG 14 3.281 -7.002 -31.016 95 HD2 ARG 14 2HD ARG 14 4.433 -6.097 -28.420 96 HD3 ARG 14 3HD ARG 14 3.339 -7.481 -28.419 97 HE ARG 14 HE ARG 14 6.031 -7.450 -29.296 98 HH11 ARG 14 1HH1 ARG 14 2.917 -8.843 -29.997 99 HH12 ARG 14 2HH1 ARG 14 3.574 -10.280 -30.723 100 HH21 ARG 14 1HH2 ARG 14 6.911 -9.335 -30.247 101 HH22 ARG 14 2HH2 ARG 14 5.844 -10.553 -30.863 102 H HIS 15 H HIS 15 2.602 -2.279 -32.032 103 HA HIS 15 HA HIS 15 -0.182 -3.207 -32.304 104 HB2 HIS 15 2HB HIS 15 0.775 -0.725 -30.871 105 HB3 HIS 15 3HB HIS 15 -0.896 -1.307 -30.970 106 HD1 HIS 15 HD1 HIS 15 -0.939 -4.027 -30.024 107 HD2 HIS 15 HD2 HIS 15 1.791 -1.316 -28.459 108 HE1 HIS 15 HE1 HIS 15 -0.261 -4.971 -27.799 109 H GLU 16 H GLU 16 1.167 -2.847 -34.603 110 HA GLU 16 HA GLU 16 1.154 -0.229 -35.649 111 HB2 GLU 16 2HB GLU 16 2.461 -1.959 -36.702 112 HB3 GLU 16 3HB GLU 16 1.013 -2.908 -37.032 113 HG2 GLU 16 2HG GLU 16 0.224 -1.206 -38.571 114 HG3 GLU 16 3HG GLU 16 1.629 -0.210 -38.212 115 H ASP 17 H ASP 17 -1.334 -2.594 -35.224 116 HA ASP 17 HA ASP 17 -3.182 -1.347 -37.061 117 HB2 ASP 17 2HB ASP 17 -3.111 -3.830 -36.491 118 HB3 ASP 17 3HB ASP 17 -3.862 -3.393 -34.956 119 H GLU 18 H GLU 18 -2.569 -1.379 -33.601 120 HA GLU 18 HA GLU 18 -4.493 0.836 -33.322 121 HB2 GLU 18 2HB GLU 18 -4.134 -1.282 -31.198 122 HB3 GLU 18 3HB GLU 18 -5.375 -0.033 -31.294 123 HG2 GLU 18 2HG GLU 18 -6.184 -1.175 -33.395 124 HG3 GLU 18 3HG GLU 18 -5.101 -2.510 -32.973 125 HA PRO 19 HA PRO 19 -0.300 1.941 -31.662 126 HB2 PRO 19 2HB PRO 19 -0.226 4.387 -32.828 127 HB3 PRO 19 3HB PRO 19 0.313 2.914 -33.647 128 HG2 PRO 19 2HG PRO 19 -2.299 4.373 -33.879 129 HG3 PRO 19 3HG PRO 19 -1.298 3.658 -35.161 130 HD2 PRO 19 2HD PRO 19 -3.496 2.431 -34.170 131 HD3 PRO 19 3HD PRO 19 -2.079 1.526 -34.762 132 H TRP 20 H TRP 20 -3.479 3.041 -31.398 133 HA TRP 20 HA TRP 20 -3.000 5.323 -29.727 134 HB2 TRP 20 2HB TRP 20 -5.202 4.268 -31.079 135 HB3 TRP 20 3HB TRP 20 -5.613 4.097 -29.369 136 HD1 TRP 20 HD1 TRP 20 -6.755 6.148 -28.360 137 HE1 TRP 20 HE1 TRP 20 -6.882 8.659 -28.909 138 HE3 TRP 20 HE3 TRP 20 -3.529 6.268 -32.330 139 HZ2 TRP 20 HZ2 TRP 20 -5.769 10.455 -30.782 140 HZ3 TRP 20 HZ3 TRP 20 -3.123 8.429 -33.448 141 HH2 TRP 20 HH2 TRP 20 -4.213 10.473 -32.681 142 H ARG 21 H ARG 21 -2.908 1.983 -29.229 143 HA ARG 21 HA ARG 21 -3.356 2.272 -26.339 144 HB2 ARG 21 2HB ARG 21 -3.597 -0.140 -26.273 145 HB3 ARG 21 3HB ARG 21 -4.672 0.531 -27.485 146 HG2 ARG 21 2HG ARG 21 -3.644 -0.536 -29.172 147 HG3 ARG 21 3HG ARG 21 -2.031 -0.290 -28.481 148 HD2 ARG 21 2HD ARG 21 -2.151 -2.521 -28.154 149 HD3 ARG 21 3HD ARG 21 -3.030 -2.026 -26.698 150 HE ARG 21 HE ARG 21 -5.003 -2.247 -28.510 151 HH11 ARG 21 1HH1 ARG 21 -2.393 -4.377 -27.620 152 HH12 ARG 21 2HH1 ARG 21 -3.265 -5.818 -27.997 153 HH21 ARG 21 1HH2 ARG 21 -6.173 -4.149 -28.996 154 HH22 ARG 21 2HH2 ARG 21 -5.413 -5.689 -28.784 155 H VAL 22 H VAL 22 -0.886 2.432 -28.472 156 HA VAL 22 HA VAL 22 1.111 0.747 -27.541 157 HB VAL 22 HB VAL 22 1.252 3.518 -28.716 158 HG11 VAL 22 1HG1 VAL 22 3.705 3.038 -29.029 159 HG12 VAL 22 2HG1 VAL 22 3.200 3.398 -27.378 160 HG13 VAL 22 3HG1 VAL 22 3.516 1.725 -27.869 161 HG21 VAL 22 3HG2 VAL 22 2.326 1.039 -29.979 162 HG22 VAL 22 1HG2 VAL 22 0.586 1.322 -29.974 163 HG23 VAL 22 2HG2 VAL 22 1.668 2.490 -30.730 164 H GLN 23 H GLN 23 -0.047 3.803 -26.241 165 HA GLN 23 HA GLN 23 1.987 4.399 -24.462 166 HB2 GLN 23 2HB GLN 23 -0.381 5.539 -25.041 167 HB3 GLN 23 3HB GLN 23 -0.792 4.808 -23.507 168 HG2 GLN 23 2HG GLN 23 1.722 6.118 -23.244 169 HG3 GLN 23 3HG GLN 23 0.564 7.233 -23.976 170 HE21 GLN 23 1HE2 GLN 23 -0.707 8.306 -22.640 171 HE22 GLN 23 2HE2 GLN 23 -1.037 7.898 -21.005 172 H GLU 24 H GLU 24 -0.954 2.497 -23.814 173 HA GLU 24 HA GLU 24 -0.397 1.793 -21.191 174 HB2 GLU 24 2HB GLU 24 -2.517 1.374 -22.558 175 HB3 GLU 24 3HB GLU 24 -1.726 -0.085 -23.128 176 HG2 GLU 24 2HG GLU 24 -1.406 -0.324 -20.452 177 HG3 GLU 24 3HG GLU 24 -2.946 0.505 -20.540 178 H CYS 25 H CYS 25 0.814 0.443 -24.179 179 HA CYS 25 HA CYS 25 2.005 -1.867 -22.980 180 HB2 CYS 25 2HB CYS 25 1.415 -1.982 -25.304 181 HB3 CYS 25 3HB CYS 25 2.389 -0.556 -25.675 182 H VAL 26 H VAL 26 3.208 1.278 -24.083 183 HA VAL 26 HA VAL 26 5.926 0.817 -23.485 184 HB VAL 26 HB VAL 26 4.391 3.405 -23.666 185 HG11 VAL 26 1HG1 VAL 26 7.362 2.918 -23.519 186 HG12 VAL 26 2HG1 VAL 26 6.614 4.457 -23.952 187 HG13 VAL 26 3HG1 VAL 26 6.373 3.774 -22.349 188 HG21 VAL 26 3HG2 VAL 26 4.525 1.951 -25.713 189 HG22 VAL 26 1HG2 VAL 26 5.215 3.566 -25.895 190 HG23 VAL 26 2HG2 VAL 26 6.273 2.166 -25.668 191 H SER 27 H SER 27 3.269 2.192 -21.599 192 HA SER 27 HA SER 27 4.731 3.118 -19.410 193 HB2 SER 27 2HB SER 27 2.258 3.480 -19.900 194 HB3 SER 27 3HB SER 27 1.979 1.873 -19.215 195 HG SER 27 HG SER 27 1.735 3.490 -17.638 196 H GLN 28 H GLN 28 3.407 -0.095 -20.074 197 HA GLN 28 HA GLN 28 4.248 -1.194 -17.572 198 HB2 GLN 28 2HB GLN 28 3.315 -2.484 -20.137 199 HB3 GLN 28 3HB GLN 28 3.697 -3.390 -18.684 200 HG2 GLN 28 2HG GLN 28 1.922 -1.350 -17.906 201 HG3 GLN 28 3HG GLN 28 1.276 -2.053 -19.387 202 HE21 GLN 28 1HE2 GLN 28 -0.386 -3.195 -18.597 203 HE22 GLN 28 2HE2 GLN 28 -0.231 -4.488 -17.465 204 H CYS 29 H CYS 29 5.394 -1.579 -20.916 205 HA CYS 29 HA CYS 29 7.560 -3.239 -20.417 206 HB2 CYS 29 2HB CYS 29 6.769 -2.751 -22.680 207 HB3 CYS 29 3HB CYS 29 7.297 -1.077 -22.508 208 H ARG 30 H ARG 30 7.370 0.294 -20.323 209 HA ARG 30 HA ARG 30 10.117 0.750 -19.841 210 HB2 ARG 30 2HB ARG 30 8.787 2.578 -20.602 211 HB3 ARG 30 3HB ARG 30 7.655 2.393 -19.271 212 HG2 ARG 30 2HG ARG 30 9.062 3.398 -17.759 213 HG3 ARG 30 3HG ARG 30 10.516 3.016 -18.697 214 HD2 ARG 30 2HD ARG 30 8.766 4.680 -20.250 215 HD3 ARG 30 3HD ARG 30 9.037 5.422 -18.675 216 HE ARG 30 HE ARG 30 11.525 4.705 -19.482 217 HH11 ARG 30 1HH1 ARG 30 8.958 6.582 -20.905 218 HH12 ARG 30 2HH1 ARG 30 10.028 7.599 -21.799 219 HH21 ARG 30 1HH2 ARG 30 12.944 6.042 -20.659 220 HH22 ARG 30 2HH2 ARG 30 12.294 7.289 -21.665 221 H ARG 31 H ARG 31 7.400 1.015 -17.541 222 HA ARG 31 HA ARG 31 8.916 1.228 -15.236 223 HB2 ARG 31 2HB ARG 31 6.930 0.744 -14.023 224 HB3 ARG 31 3HB ARG 31 6.417 1.564 -15.483 225 HG2 ARG 31 2HG ARG 31 5.798 -0.564 -16.477 226 HG3 ARG 31 3HG ARG 31 6.358 -1.411 -15.038 227 HD2 ARG 31 2HD ARG 31 4.170 -1.262 -14.469 228 HD3 ARG 31 3HD ARG 31 4.663 0.338 -13.908 229 HE ARG 31 HE ARG 31 3.971 0.810 -16.467 230 HH11 ARG 31 1HH1 ARG 31 2.354 -0.858 -13.868 231 HH12 ARG 31 2HH1 ARG 31 0.767 -0.459 -14.432 232 HH21 ARG 31 1HH2 ARG 31 1.879 1.340 -17.209 233 HH22 ARG 31 2HH2 ARG 31 0.498 0.780 -16.328 234 H ARG 32 H ARG 32 9.832 -0.195 -13.826 235 HA ARG 32 HA ARG 32 10.820 -2.107 -13.072 236 HB2 ARG 32 2HB ARG 32 8.535 -3.537 -14.430 237 HB3 ARG 32 3HB ARG 32 9.540 -4.151 -13.120 238 HG2 ARG 32 2HG ARG 32 8.626 -2.034 -11.865 239 HG3 ARG 32 3HG ARG 32 7.320 -2.164 -13.061 240 HD2 ARG 32 2HD ARG 32 6.885 -4.440 -12.365 241 HD3 ARG 32 3HD ARG 32 8.240 -4.391 -11.245 242 HE ARG 32 HE ARG 32 6.923 -3.239 -9.752 243 HH11 ARG 32 1HH1 ARG 32 5.391 -3.248 -12.877 244 HH12 ARG 32 2HH1 ARG 32 3.907 -2.571 -12.303 245 HH21 ARG 32 1HH2 ARG 32 4.977 -2.352 -8.974 246 HH22 ARG 32 2HH2 ARG 32 3.672 -2.061 -10.084 247 H ARG 33 H ARG 33 12.197 -1.240 -15.073 248 HA ARG 33 HA ARG 33 12.377 -3.258 -17.166 249 HB2 ARG 33 2HB ARG 33 13.951 -1.737 -18.244 250 HB3 ARG 33 3HB ARG 33 12.469 -0.901 -17.824 251 HG2 ARG 33 2HG ARG 33 13.627 0.604 -16.692 252 HG3 ARG 33 3HG ARG 33 14.277 -0.650 -15.646 253 HD2 ARG 33 2HD ARG 33 16.231 -0.816 -16.825 254 HD3 ARG 33 3HD ARG 33 15.465 -0.337 -18.346 255 HE ARG 33 HE ARG 33 15.434 1.872 -16.646 256 HH11 ARG 33 1HH1 ARG 33 17.745 -0.133 -18.324 257 HH12 ARG 33 2HH1 ARG 33 18.920 1.128 -18.479 258 HH21 ARG 33 1HH2 ARG 33 16.975 3.542 -16.860 259 HH22 ARG 33 2HH2 ARG 33 18.481 3.216 -17.655 260 H GLY 34 H GLY 34 13.029 -4.244 -14.655 261 HA2 GLY 34 2HA GLY 34 15.808 -4.995 -15.121 262 HA3 GLY 34 3HA GLY 34 15.457 -4.217 -13.581 263 H GLY 35 H GLY 35 15.427 -5.686 -12.024 264 HA2 GLY 35 2HA GLY 35 14.653 -8.425 -12.581 265 HA3 GLY 35 3HA GLY 35 15.262 -7.805 -11.052 266 H GLY 36 H GLY 36 13.724 -6.388 -9.822 267 HA2 GLY 36 2HA GLY 36 11.498 -5.762 -9.271 268 HA3 GLY 36 3HA GLY 36 10.914 -7.022 -10.348 269 H ASP 37 H ASP 37 9.697 -8.294 -9.085 270 HA ASP 37 HA ASP 37 10.582 -8.978 -6.398 271 HB2 ASP 37 2HB ASP 37 8.423 -9.830 -6.041 272 HB3 ASP 37 3HB ASP 37 8.158 -8.459 -7.104 Start of MODEL 10 1 H1 GLY 1 H GLY 1 14.953 -13.119 -30.805 2 HA2 GLY 1 2HA GLY 1 15.598 -13.665 -33.396 3 HA3 GLY 1 3HA GLY 1 14.009 -12.931 -33.515 4 H SER 2 H SER 2 16.632 -12.168 -31.258 5 HA SER 2 HA SER 2 17.778 -10.250 -30.842 6 HB2 SER 2 2HB SER 2 17.237 -9.614 -33.748 7 HB3 SER 2 3HB SER 2 18.498 -8.902 -32.740 8 HG SER 2 HG SER 2 19.643 -10.479 -33.539 9 H GLY 3 H GLY 3 16.135 -9.506 -29.431 10 HA2 GLY 3 2HA GLY 3 13.925 -7.940 -30.354 11 HA3 GLY 3 3HA GLY 3 14.484 -8.079 -28.691 12 H ARG 4 H ARG 4 15.787 -6.512 -27.829 13 HA ARG 4 HA ARG 4 16.751 -4.464 -27.581 14 HB2 ARG 4 2HB ARG 4 17.922 -5.536 -29.815 15 HB3 ARG 4 3HB ARG 4 17.318 -4.003 -30.425 16 HG2 ARG 4 2HG ARG 4 18.477 -3.183 -28.134 17 HG3 ARG 4 3HG ARG 4 19.486 -4.576 -28.519 18 HD2 ARG 4 2HD ARG 4 20.590 -3.327 -29.990 19 HD3 ARG 4 3HD ARG 4 19.108 -3.168 -30.928 20 HE ARG 4 HE ARG 4 19.174 -1.314 -28.776 21 HH11 ARG 4 1HH1 ARG 4 20.425 -1.912 -31.964 22 HH12 ARG 4 2HH1 ARG 4 20.670 -0.242 -32.333 23 HH21 ARG 4 1HH2 ARG 4 19.485 0.899 -29.241 24 HH22 ARG 4 2HH2 ARG 4 20.128 1.364 -30.779 25 H GLY 5 H GLY 5 16.775 -2.148 -28.872 26 HA2 GLY 5 2HA GLY 5 15.499 -0.432 -29.794 27 HA3 GLY 5 3HA GLY 5 14.218 -1.591 -30.121 28 H SER 6 H SER 6 14.309 1.145 -28.826 29 HA SER 6 HA SER 6 13.789 1.011 -26.102 30 HB2 SER 6 2HB SER 6 12.535 3.124 -26.406 31 HB3 SER 6 3HB SER 6 14.077 3.140 -27.274 32 HG SER 6 HG SER 6 12.384 3.921 -28.585 33 H CYS 7 H CYS 7 11.669 1.330 -25.015 34 HA CYS 7 HA CYS 7 9.935 -0.826 -25.615 35 HB2 CYS 7 2HB CYS 7 9.758 1.488 -23.686 36 HB3 CYS 7 3HB CYS 7 8.479 0.279 -23.814 37 H ARG 8 H ARG 8 9.976 2.525 -26.510 38 HA ARG 8 HA ARG 8 7.230 2.803 -27.168 39 HB2 ARG 8 2HB ARG 8 9.310 4.536 -26.972 40 HB3 ARG 8 3HB ARG 8 9.210 4.364 -28.722 41 HG2 ARG 8 2HG ARG 8 6.806 4.966 -28.595 42 HG3 ARG 8 3HG ARG 8 7.022 5.273 -26.866 43 HD2 ARG 8 2HD ARG 8 7.794 7.313 -27.294 44 HD3 ARG 8 3HD ARG 8 9.071 6.642 -28.311 45 HE ARG 8 HE ARG 8 6.845 6.613 -29.891 46 HH11 ARG 8 1HH1 ARG 8 8.554 9.046 -28.087 47 HH12 ARG 8 2HH1 ARG 8 8.128 10.337 -29.161 48 HH21 ARG 8 1HH2 ARG 8 6.277 8.303 -31.327 49 HH22 ARG 8 2HH2 ARG 8 6.841 9.910 -31.004 50 H SER 9 H SER 9 10.031 2.561 -29.378 51 HA SER 9 HA SER 9 8.590 2.098 -31.699 52 HB2 SER 9 2HB SER 9 10.990 2.656 -31.660 53 HB3 SER 9 3HB SER 9 11.347 1.053 -31.024 54 HG SER 9 HG SER 9 10.441 1.799 -33.580 55 H GLN 10 H GLN 10 9.619 -0.136 -29.201 56 HA GLN 10 HA GLN 10 9.109 -2.540 -30.591 57 HB2 GLN 10 2HB GLN 10 9.500 -1.756 -27.741 58 HB3 GLN 10 3HB GLN 10 8.732 -3.311 -28.061 59 HG2 GLN 10 2HG GLN 10 11.356 -2.472 -29.266 60 HG3 GLN 10 3HG GLN 10 11.220 -3.366 -27.748 61 HE21 GLN 10 1HE2 GLN 10 12.334 -4.022 -30.461 62 HE22 GLN 10 2HE2 GLN 10 11.614 -5.536 -30.864 63 H CYS 11 H CYS 11 7.107 -0.600 -28.381 64 HA CYS 11 HA CYS 11 4.842 -2.342 -28.606 65 HB2 CYS 11 2HB CYS 11 5.262 0.392 -27.425 66 HB3 CYS 11 3HB CYS 11 3.660 -0.339 -27.510 67 H MET 12 H MET 12 6.046 0.395 -30.351 68 HA MET 12 HA MET 12 3.648 1.239 -31.566 69 HB2 MET 12 2HB MET 12 6.561 1.539 -32.223 70 HB3 MET 12 3HB MET 12 5.353 2.028 -33.400 71 HG2 MET 12 2HG MET 12 4.324 3.426 -31.543 72 HG3 MET 12 3HG MET 12 5.814 3.115 -30.646 73 HE1 MET 12 HE1 MET 12 4.247 4.396 -33.871 74 HE2 MET 12 HE2 MET 12 5.444 5.492 -34.560 75 HE3 MET 12 HE3 MET 12 5.675 3.742 -34.679 76 H ARG 13 H ARG 13 6.248 -0.847 -32.837 77 HA ARG 13 HA ARG 13 4.889 -1.544 -35.205 78 HB2 ARG 13 2HB ARG 13 7.236 -2.634 -33.719 79 HB3 ARG 13 3HB ARG 13 6.539 -3.592 -35.019 80 HG2 ARG 13 2HG ARG 13 8.366 -2.298 -35.880 81 HG3 ARG 13 3HG ARG 13 6.854 -1.698 -36.563 82 HD2 ARG 13 2HD ARG 13 6.831 0.121 -34.917 83 HD3 ARG 13 3HD ARG 13 8.342 -0.479 -34.234 84 HE ARG 13 HE ARG 13 8.021 1.096 -36.600 85 HH11 ARG 13 1HH1 ARG 13 10.021 -1.301 -35.059 86 HH12 ARG 13 2HH1 ARG 13 11.448 -0.863 -35.935 87 HH21 ARG 13 1HH2 ARG 13 9.899 1.680 -37.763 88 HH22 ARG 13 2HH2 ARG 13 11.376 0.837 -37.476 89 H ARG 14 H ARG 14 5.036 -3.034 -32.011 90 HA ARG 14 HA ARG 14 3.712 -5.432 -32.658 91 HB2 ARG 14 2HB ARG 14 4.997 -4.964 -30.548 92 HB3 ARG 14 3HB ARG 14 3.631 -4.013 -30.005 93 HG2 ARG 14 2HG ARG 14 2.208 -5.979 -30.077 94 HG3 ARG 14 3HG ARG 14 3.555 -6.942 -30.679 95 HD2 ARG 14 2HD ARG 14 4.212 -5.494 -28.253 96 HD3 ARG 14 3HD ARG 14 2.840 -6.579 -28.029 97 HE ARG 14 HE ARG 14 5.001 -7.860 -29.385 98 HH11 ARG 14 1HH1 ARG 14 3.872 -6.852 -26.242 99 HH12 ARG 14 2HH1 ARG 14 4.771 -8.058 -25.395 100 HH21 ARG 14 1HH2 ARG 14 6.185 -9.460 -28.271 101 HH22 ARG 14 2HH2 ARG 14 6.092 -9.543 -26.549 102 H HIS 15 H HIS 15 2.556 -2.221 -32.107 103 HA HIS 15 HA HIS 15 -0.211 -3.202 -32.295 104 HB2 HIS 15 2HB HIS 15 0.736 -0.662 -30.939 105 HB3 HIS 15 3HB HIS 15 -0.923 -1.242 -31.016 106 HD1 HIS 15 HD1 HIS 15 -0.956 -3.962 -30.019 107 HD2 HIS 15 HD2 HIS 15 1.738 -1.175 -28.498 108 HE1 HIS 15 HE1 HIS 15 -0.274 -4.841 -27.761 109 H GLU 16 H GLU 16 1.081 -2.894 -34.626 110 HA GLU 16 HA GLU 16 1.020 -0.311 -35.753 111 HB2 GLU 16 2HB GLU 16 2.181 -2.449 -36.611 112 HB3 GLU 16 3HB GLU 16 0.634 -2.831 -37.343 113 HG2 GLU 16 2HG GLU 16 1.861 -1.792 -39.033 114 HG3 GLU 16 3HG GLU 16 0.769 -0.542 -38.442 115 H ASP 17 H ASP 17 -1.431 -2.687 -35.202 116 HA ASP 17 HA ASP 17 -3.324 -1.501 -37.039 117 HB2 ASP 17 2HB ASP 17 -3.197 -3.979 -36.396 118 HB3 ASP 17 3HB ASP 17 -3.964 -3.503 -34.883 119 H GLU 18 H GLU 18 -2.531 -1.306 -33.659 120 HA GLU 18 HA GLU 18 -4.472 0.857 -33.372 121 HB2 GLU 18 2HB GLU 18 -4.174 -1.234 -31.224 122 HB3 GLU 18 3HB GLU 18 -5.377 0.037 -31.339 123 HG2 GLU 18 2HG GLU 18 -5.160 -2.275 -33.246 124 HG3 GLU 18 3HG GLU 18 -6.252 -2.209 -31.860 125 HA PRO 19 HA PRO 19 -0.258 1.892 -31.719 126 HB2 PRO 19 2HB PRO 19 -0.142 4.331 -32.909 127 HB3 PRO 19 3HB PRO 19 0.364 2.840 -33.713 128 HG2 PRO 19 2HG PRO 19 -2.204 4.352 -33.963 129 HG3 PRO 19 3HG PRO 19 -1.224 3.603 -35.228 130 HD2 PRO 19 2HD PRO 19 -3.447 2.422 -34.241 131 HD3 PRO 19 3HD PRO 19 -2.053 1.492 -34.815 132 H TRP 20 H TRP 20 -3.423 3.071 -31.465 133 HA TRP 20 HA TRP 20 -2.899 5.365 -29.828 134 HB2 TRP 20 2HB TRP 20 -5.418 3.759 -30.317 135 HB3 TRP 20 3HB TRP 20 -5.355 5.233 -29.339 136 HD1 TRP 20 HD1 TRP 20 -6.465 4.326 -32.565 137 HE1 TRP 20 HE1 TRP 20 -6.255 6.237 -34.279 138 HE3 TRP 20 HE3 TRP 20 -3.215 7.339 -30.024 139 HZ2 TRP 20 HZ2 TRP 20 -4.892 8.700 -34.526 140 HZ3 TRP 20 HZ3 TRP 20 -2.505 9.460 -31.071 141 HH2 TRP 20 HH2 TRP 20 -3.327 10.121 -33.268 142 H ARG 21 H ARG 21 -2.868 2.017 -29.293 143 HA ARG 21 HA ARG 21 -3.299 2.357 -26.402 144 HB2 ARG 21 2HB ARG 21 -3.596 -0.055 -26.295 145 HB3 ARG 21 3HB ARG 21 -4.660 0.631 -27.519 146 HG2 ARG 21 2HG ARG 21 -3.657 -0.472 -29.203 147 HG3 ARG 21 3HG ARG 21 -2.044 -0.257 -28.517 148 HD2 ARG 21 2HD ARG 21 -2.224 -2.484 -28.164 149 HD3 ARG 21 3HD ARG 21 -3.079 -1.962 -26.712 150 HE ARG 21 HE ARG 21 -5.065 -2.148 -28.512 151 HH11 ARG 21 1HH1 ARG 21 -2.506 -4.332 -27.623 152 HH12 ARG 21 2HH1 ARG 21 -3.414 -5.753 -27.978 153 HH21 ARG 21 1HH2 ARG 21 -6.277 -4.014 -28.978 154 HH22 ARG 21 2HH2 ARG 21 -5.566 -5.575 -28.753 155 H VAL 22 H VAL 22 -0.846 2.461 -28.522 156 HA VAL 22 HA VAL 22 1.132 0.746 -27.603 157 HB VAL 22 HB VAL 22 1.313 3.516 -28.750 158 HG11 VAL 22 1HG1 VAL 22 3.449 1.807 -27.611 159 HG12 VAL 22 2HG1 VAL 22 3.801 2.659 -29.113 160 HG13 VAL 22 3HG1 VAL 22 3.328 3.560 -27.678 161 HG21 VAL 22 3HG2 VAL 22 0.626 1.314 -30.024 162 HG22 VAL 22 1HG2 VAL 22 1.685 2.501 -30.772 163 HG23 VAL 22 2HG2 VAL 22 2.371 1.054 -30.048 164 H GLN 23 H GLN 23 0.074 3.850 -26.316 165 HA GLN 23 HA GLN 23 2.115 4.355 -24.503 166 HB2 GLN 23 2HB GLN 23 -0.185 5.603 -25.128 167 HB3 GLN 23 3HB GLN 23 -0.659 4.899 -23.591 168 HG2 GLN 23 2HG GLN 23 1.922 6.083 -23.308 169 HG3 GLN 23 3HG GLN 23 0.818 7.249 -24.040 170 HE21 GLN 23 1HE2 GLN 23 1.356 5.167 -21.275 171 HE22 GLN 23 2HE2 GLN 23 0.302 6.017 -20.198 172 H GLU 24 H GLU 24 -0.936 2.604 -23.872 173 HA GLU 24 HA GLU 24 -0.433 1.883 -21.250 174 HB2 GLU 24 2HB GLU 24 -2.564 1.583 -22.640 175 HB3 GLU 24 3HB GLU 24 -1.855 0.079 -23.199 176 HG2 GLU 24 2HG GLU 24 -1.560 -0.201 -20.523 177 HG3 GLU 24 3HG GLU 24 -3.039 0.749 -20.602 178 H CYS 25 H CYS 25 0.741 0.478 -24.229 179 HA CYS 25 HA CYS 25 1.782 -1.905 -23.024 180 HB2 CYS 25 2HB CYS 25 1.217 -1.986 -25.356 181 HB3 CYS 25 3HB CYS 25 2.258 -0.605 -25.706 182 H VAL 26 H VAL 26 3.176 1.173 -24.094 183 HA VAL 26 HA VAL 26 5.851 0.548 -23.456 184 HB VAL 26 HB VAL 26 4.476 3.220 -23.666 185 HG11 VAL 26 1HG1 VAL 26 6.789 4.127 -23.938 186 HG12 VAL 26 2HG1 VAL 26 6.434 3.517 -22.315 187 HG13 VAL 26 3HG1 VAL 26 7.403 2.559 -23.434 188 HG21 VAL 26 3HG2 VAL 26 6.338 1.902 -25.629 189 HG22 VAL 26 1HG2 VAL 26 4.583 1.740 -25.704 190 HG23 VAL 26 2HG2 VAL 26 5.328 3.327 -25.884 191 H SER 27 H SER 27 3.265 2.113 -21.624 192 HA SER 27 HA SER 27 4.682 2.994 -19.417 193 HB2 SER 27 2HB SER 27 2.226 3.345 -19.887 194 HB3 SER 27 3HB SER 27 1.941 1.723 -19.274 195 HG SER 27 HG SER 27 2.267 2.403 -17.303 196 H GLN 28 H GLN 28 3.514 -0.250 -20.151 197 HA GLN 28 HA GLN 28 4.263 -1.352 -17.609 198 HB2 GLN 28 2HB GLN 28 3.565 -2.658 -20.248 199 HB3 GLN 28 3HB GLN 28 3.855 -3.545 -18.747 200 HG2 GLN 28 2HG GLN 28 1.957 -1.565 -18.151 201 HG3 GLN 28 3HG GLN 28 1.464 -2.308 -19.669 202 HE21 GLN 28 1HE2 GLN 28 -0.245 -3.461 -18.950 203 HE22 GLN 28 2HE2 GLN 28 -0.124 -4.751 -17.811 204 H CYS 29 H CYS 29 5.611 -1.624 -20.903 205 HA CYS 29 HA CYS 29 7.827 -3.184 -20.293 206 HB2 CYS 29 2HB CYS 29 7.139 -2.692 -22.593 207 HB3 CYS 29 3HB CYS 29 7.578 -0.994 -22.380 208 H ARG 30 H ARG 30 7.698 0.377 -20.528 209 HA ARG 30 HA ARG 30 10.326 0.835 -19.676 210 HB2 ARG 30 2HB ARG 30 9.160 2.610 -20.761 211 HB3 ARG 30 3HB ARG 30 7.850 2.550 -19.583 212 HG2 ARG 30 2HG ARG 30 9.172 3.541 -17.900 213 HG3 ARG 30 3HG ARG 30 10.661 3.275 -18.815 214 HD2 ARG 30 2HD ARG 30 8.787 4.809 -20.373 215 HD3 ARG 30 3HD ARG 30 9.032 5.569 -18.800 216 HE ARG 30 HE ARG 30 10.893 5.475 -20.948 217 HH11 ARG 30 1HH1 ARG 30 10.663 5.437 -17.473 218 HH12 ARG 30 2HH1 ARG 30 12.237 6.109 -17.230 219 HH21 ARG 30 1HH2 ARG 30 12.968 6.361 -20.645 220 HH22 ARG 30 2HH2 ARG 30 13.547 6.637 -19.033 221 H ARG 31 H ARG 31 7.360 1.446 -17.774 222 HA ARG 31 HA ARG 31 8.756 1.594 -15.315 223 HB2 ARG 31 2HB ARG 31 5.821 0.981 -15.639 224 HB3 ARG 31 3HB ARG 31 6.606 1.768 -14.282 225 HG2 ARG 31 2HG ARG 31 6.287 2.903 -17.057 226 HG3 ARG 31 3HG ARG 31 5.403 3.390 -15.602 227 HD2 ARG 31 2HD ARG 31 8.173 3.522 -15.035 228 HD3 ARG 31 3HD ARG 31 7.907 4.327 -16.574 229 HE ARG 31 HE ARG 31 7.030 5.201 -13.976 230 HH11 ARG 31 1HH1 ARG 31 6.519 5.428 -17.414 231 HH12 ARG 31 2HH1 ARG 31 5.735 6.969 -17.328 232 HH21 ARG 31 1HH2 ARG 31 6.002 7.243 -13.856 233 HH22 ARG 31 2HH2 ARG 31 5.451 8.005 -15.304 234 H ARG 32 H ARG 32 7.563 0.110 -13.456 235 HA ARG 32 HA ARG 32 7.140 -2.612 -14.074 236 HB2 ARG 32 2HB ARG 32 9.289 -3.458 -12.972 237 HB3 ARG 32 3HB ARG 32 9.420 -2.847 -14.617 238 HG2 ARG 32 2HG ARG 32 10.220 -0.694 -13.715 239 HG3 ARG 32 3HG ARG 32 10.184 -1.395 -12.104 240 HD2 ARG 32 2HD ARG 32 11.670 -2.835 -14.234 241 HD3 ARG 32 3HD ARG 32 12.384 -1.381 -13.561 242 HE ARG 32 HE ARG 32 12.237 -3.931 -12.318 243 HH11 ARG 32 1HH1 ARG 32 12.090 -0.512 -11.648 244 HH12 ARG 32 2HH1 ARG 32 12.643 -0.683 -10.012 245 HH21 ARG 32 1HH2 ARG 32 12.970 -4.161 -10.170 246 HH22 ARG 32 2HH2 ARG 32 13.150 -2.757 -9.177 247 H ARG 33 H ARG 33 5.439 -1.962 -12.613 248 HA ARG 33 HA ARG 33 6.080 -1.336 -9.881 249 HB2 ARG 33 2HB ARG 33 3.656 -1.418 -9.518 250 HB3 ARG 33 3HB ARG 33 4.066 -0.412 -10.905 251 HG2 ARG 33 2HG ARG 33 2.860 -1.666 -12.275 252 HG3 ARG 33 3HG ARG 33 3.587 -3.158 -11.674 253 HD2 ARG 33 2HD ARG 33 1.864 -3.580 -10.301 254 HD3 ARG 33 3HD ARG 33 1.709 -1.900 -9.815 255 HE ARG 33 HE ARG 33 0.052 -1.652 -11.360 256 HH11 ARG 33 1HH1 ARG 33 1.920 -4.478 -12.163 257 HH12 ARG 33 2HH1 ARG 33 0.868 -4.973 -13.450 258 HH21 ARG 33 1HH2 ARG 33 -1.339 -2.285 -13.051 259 HH22 ARG 33 2HH2 ARG 33 -0.986 -3.719 -13.961 260 H GLY 34 H GLY 34 5.780 -4.184 -11.708 261 HA2 GLY 34 2HA GLY 34 5.366 -5.786 -9.267 262 HA3 GLY 34 3HA GLY 34 4.991 -6.332 -10.894 263 H GLY 35 H GLY 35 6.287 -8.045 -11.183 264 HA2 GLY 35 2HA GLY 35 9.127 -7.596 -11.419 265 HA3 GLY 35 3HA GLY 35 8.701 -8.645 -10.078 266 H GLY 36 H GLY 36 7.066 -8.476 -13.196 267 HA2 GLY 36 2HA GLY 36 7.275 -11.330 -13.500 268 HA3 GLY 36 3HA GLY 36 6.501 -10.216 -14.612 269 H ASP 37 H ASP 37 7.479 -11.511 -16.303 270 HA ASP 37 HA ASP 37 10.361 -11.499 -16.552 271 HB2 ASP 37 2HB ASP 37 8.673 -13.290 -17.406 272 HB3 ASP 37 3HB ASP 37 8.462 -12.200 -18.777 Start of MODEL 11 1 H1 GLY 1 H GLY 1 21.633 8.299 -36.444 2 HA2 GLY 1 2HA GLY 1 22.491 6.132 -35.657 3 HA3 GLY 1 3HA GLY 1 21.407 6.819 -34.453 4 H SER 2 H SER 2 22.098 4.006 -35.078 5 HA SER 2 HA SER 2 19.353 3.019 -35.232 6 HB2 SER 2 2HB SER 2 20.825 2.921 -37.495 7 HB3 SER 2 3HB SER 2 21.317 1.400 -36.747 8 HG SER 2 HG SER 2 18.730 2.242 -37.508 9 H GLY 3 H GLY 3 19.757 0.351 -35.143 10 HA2 GLY 3 2HA GLY 3 20.433 -1.406 -33.811 11 HA3 GLY 3 3HA GLY 3 21.818 -0.437 -33.329 12 H ARG 4 H ARG 4 18.501 0.614 -32.941 13 HA ARG 4 HA ARG 4 18.757 0.206 -30.037 14 HB2 ARG 4 2HB ARG 4 18.096 2.670 -31.559 15 HB3 ARG 4 3HB ARG 4 17.228 2.386 -30.060 16 HG2 ARG 4 2HG ARG 4 20.218 2.443 -30.330 17 HG3 ARG 4 3HG ARG 4 19.223 3.791 -29.771 18 HD2 ARG 4 2HD ARG 4 18.335 2.110 -28.033 19 HD3 ARG 4 3HD ARG 4 19.771 1.176 -28.434 20 HE ARG 4 HE ARG 4 20.781 3.613 -27.912 21 HH11 ARG 4 1HH1 ARG 4 18.604 1.538 -26.168 22 HH12 ARG 4 2HH1 ARG 4 19.102 2.108 -24.617 23 HH21 ARG 4 1HH2 ARG 4 21.447 4.376 -25.874 24 HH22 ARG 4 2HH2 ARG 4 20.716 3.718 -24.442 25 H GLY 5 H GLY 5 16.903 -0.384 -28.927 26 HA2 GLY 5 2HA GLY 5 14.427 -0.664 -30.479 27 HA3 GLY 5 3HA GLY 5 15.099 -2.078 -29.692 28 H SER 6 H SER 6 14.092 1.252 -28.971 29 HA SER 6 HA SER 6 13.762 0.774 -26.188 30 HB2 SER 6 2HB SER 6 13.035 2.991 -26.037 31 HB3 SER 6 3HB SER 6 14.065 3.033 -27.464 32 HG SER 6 HG SER 6 12.166 2.814 -28.735 33 H CYS 7 H CYS 7 11.680 0.990 -25.031 34 HA CYS 7 HA CYS 7 9.872 -0.984 -25.812 35 HB2 CYS 7 2HB CYS 7 9.784 1.224 -23.784 36 HB3 CYS 7 3HB CYS 7 8.358 0.229 -24.067 37 H ARG 8 H ARG 8 9.975 2.426 -26.514 38 HA ARG 8 HA ARG 8 7.300 2.800 -27.294 39 HB2 ARG 8 2HB ARG 8 9.441 4.441 -27.031 40 HB3 ARG 8 3HB ARG 8 9.372 4.300 -28.776 41 HG2 ARG 8 2HG ARG 8 6.909 4.912 -28.576 42 HG3 ARG 8 3HG ARG 8 7.300 5.395 -26.919 43 HD2 ARG 8 2HD ARG 8 9.259 6.494 -28.672 44 HD3 ARG 8 3HD ARG 8 7.658 6.858 -29.314 45 HE ARG 8 HE ARG 8 7.769 7.401 -26.541 46 HH11 ARG 8 1HH1 ARG 8 8.801 8.632 -29.627 47 HH12 ARG 8 2HH1 ARG 8 8.854 10.288 -29.096 48 HH21 ARG 8 1HH2 ARG 8 7.832 9.569 -25.826 49 HH22 ARG 8 2HH2 ARG 8 8.306 10.816 -26.930 50 H SER 9 H SER 9 10.134 2.466 -29.441 51 HA SER 9 HA SER 9 8.711 2.074 -31.795 52 HB2 SER 9 2HB SER 9 11.077 2.607 -31.826 53 HB3 SER 9 3HB SER 9 11.466 1.068 -31.042 54 HG SER 9 HG SER 9 10.888 1.617 -33.675 55 H GLN 10 H GLN 10 9.685 -0.204 -29.308 56 HA GLN 10 HA GLN 10 9.098 -2.562 -30.769 57 HB2 GLN 10 2HB GLN 10 9.617 -1.886 -27.916 58 HB3 GLN 10 3HB GLN 10 8.835 -3.425 -28.258 59 HG2 GLN 10 2HG GLN 10 11.415 -2.552 -29.533 60 HG3 GLN 10 3HG GLN 10 11.336 -3.492 -28.042 61 HE21 GLN 10 1HE2 GLN 10 12.673 -4.506 -30.150 62 HE22 GLN 10 2HE2 GLN 10 11.803 -5.828 -30.839 63 H CYS 11 H CYS 11 7.246 -0.635 -28.442 64 HA CYS 11 HA CYS 11 4.954 -2.321 -28.512 65 HB2 CYS 11 2HB CYS 11 5.444 0.473 -27.512 66 HB3 CYS 11 3HB CYS 11 3.835 -0.254 -27.469 67 H MET 12 H MET 12 6.027 0.446 -30.345 68 HA MET 12 HA MET 12 3.541 1.070 -31.559 69 HB2 MET 12 2HB MET 12 6.404 1.675 -32.235 70 HB3 MET 12 3HB MET 12 5.110 2.126 -33.342 71 HG2 MET 12 2HG MET 12 4.100 3.195 -31.148 72 HG3 MET 12 3HG MET 12 5.797 3.197 -30.656 73 HE1 MET 12 HE1 MET 12 7.461 5.839 -32.706 74 HE2 MET 12 HE2 MET 12 7.423 4.858 -31.242 75 HE3 MET 12 HE3 MET 12 7.673 4.093 -32.810 76 H ARG 13 H ARG 13 6.305 -0.889 -32.625 77 HA ARG 13 HA ARG 13 5.195 -1.609 -35.129 78 HB2 ARG 13 2HB ARG 13 7.300 -2.970 -33.425 79 HB3 ARG 13 3HB ARG 13 6.910 -3.443 -35.082 80 HG2 ARG 13 2HG ARG 13 7.412 -0.642 -35.043 81 HG3 ARG 13 3HG ARG 13 8.722 -1.467 -34.180 82 HD2 ARG 13 2HD ARG 13 9.244 -1.278 -36.548 83 HD3 ARG 13 3HD ARG 13 9.017 -2.968 -36.096 84 HE ARG 13 HE ARG 13 7.230 -3.060 -37.523 85 HH11 ARG 13 1HH1 ARG 13 7.990 0.274 -36.877 86 HH12 ARG 13 2HH1 ARG 13 6.874 0.891 -38.058 87 HH21 ARG 13 1HH2 ARG 13 5.756 -2.270 -39.066 88 HH22 ARG 13 2HH2 ARG 13 5.611 -0.560 -39.297 89 H ARG 14 H ARG 14 4.994 -3.025 -31.915 90 HA ARG 14 HA ARG 14 3.760 -5.451 -32.740 91 HB2 ARG 14 2HB ARG 14 4.992 -5.058 -30.565 92 HB3 ARG 14 3HB ARG 14 3.566 -4.182 -30.013 93 HG2 ARG 14 2HG ARG 14 2.227 -6.241 -30.418 94 HG3 ARG 14 3HG ARG 14 3.741 -7.086 -30.755 95 HD2 ARG 14 2HD ARG 14 4.386 -5.999 -28.412 96 HD3 ARG 14 3HD ARG 14 2.640 -6.081 -28.194 97 HE ARG 14 HE ARG 14 2.789 -8.363 -28.045 98 HH11 ARG 14 1HH1 ARG 14 5.784 -7.088 -29.263 99 HH12 ARG 14 2HH1 ARG 14 6.629 -8.594 -29.137 100 HH21 ARG 14 1HH2 ARG 14 3.893 -10.353 -27.868 101 HH22 ARG 14 2HH2 ARG 14 5.549 -10.453 -28.348 102 H HIS 15 H HIS 15 2.619 -2.258 -31.994 103 HA HIS 15 HA HIS 15 -0.156 -3.197 -32.330 104 HB2 HIS 15 2HB HIS 15 0.745 -0.706 -30.864 105 HB3 HIS 15 3HB HIS 15 -0.895 -1.335 -30.963 106 HD1 HIS 15 HD1 HIS 15 -0.877 -4.064 -30.044 107 HD2 HIS 15 HD2 HIS 15 1.795 -1.297 -28.456 108 HE1 HIS 15 HE1 HIS 15 -0.164 -5.010 -27.819 109 H GLU 16 H GLU 16 1.177 -2.813 -34.617 110 HA GLU 16 HA GLU 16 1.193 -0.175 -35.624 111 HB2 GLU 16 2HB GLU 16 2.455 -2.024 -36.653 112 HB3 GLU 16 3HB GLU 16 0.953 -2.790 -37.124 113 HG2 GLU 16 2HG GLU 16 0.967 -1.644 -39.022 114 HG3 GLU 16 3HG GLU 16 0.897 -0.141 -38.105 115 H ASP 17 H ASP 17 -1.318 -2.531 -35.236 116 HA ASP 17 HA ASP 17 -3.138 -1.227 -37.055 117 HB2 ASP 17 2HB ASP 17 -3.187 -3.692 -36.653 118 HB3 ASP 17 3HB ASP 17 -3.701 -3.380 -35.002 119 H GLU 18 H GLU 18 -2.721 -1.501 -33.553 120 HA GLU 18 HA GLU 18 -4.587 0.761 -33.244 121 HB2 GLU 18 2HB GLU 18 -4.150 -1.362 -31.158 122 HB3 GLU 18 3HB GLU 18 -5.416 -0.147 -31.213 123 HG2 GLU 18 2HG GLU 18 -5.124 -2.419 -33.169 124 HG3 GLU 18 3HG GLU 18 -6.201 -2.419 -31.765 125 HA PRO 19 HA PRO 19 -0.404 1.948 -31.643 126 HB2 PRO 19 2HB PRO 19 -0.414 4.414 -32.799 127 HB3 PRO 19 3HB PRO 19 0.144 2.962 -33.641 128 HG2 PRO 19 2HG PRO 19 -2.494 4.353 -33.812 129 HG3 PRO 19 3HG PRO 19 -1.505 3.676 -35.111 130 HD2 PRO 19 2HD PRO 19 -3.659 2.382 -34.098 131 HD3 PRO 19 3HD PRO 19 -2.229 1.525 -34.720 132 H TRP 20 H TRP 20 -3.607 2.976 -31.319 133 HA TRP 20 HA TRP 20 -3.153 5.259 -29.643 134 HB2 TRP 20 2HB TRP 20 -5.483 3.733 -30.619 135 HB3 TRP 20 3HB TRP 20 -5.694 4.497 -29.048 136 HD1 TRP 20 HD1 TRP 20 -3.583 6.211 -31.723 137 HE1 TRP 20 HE1 TRP 20 -4.783 8.367 -32.468 138 HE3 TRP 20 HE3 TRP 20 -8.006 5.561 -29.258 139 HZ2 TRP 20 HZ2 TRP 20 -7.275 9.622 -32.058 140 HZ3 TRP 20 HZ3 TRP 20 -9.753 7.283 -29.485 141 HH2 TRP 20 HH2 TRP 20 -9.391 9.269 -30.855 142 H ARG 21 H ARG 21 -2.972 1.910 -29.177 143 HA ARG 21 HA ARG 21 -3.384 2.165 -26.278 144 HB2 ARG 21 2HB ARG 21 -3.574 -0.251 -26.225 145 HB3 ARG 21 3HB ARG 21 -4.679 0.406 -27.425 146 HG2 ARG 21 2HG ARG 21 -3.655 -0.626 -29.129 147 HG3 ARG 21 3HG ARG 21 -2.043 -0.350 -28.465 148 HD2 ARG 21 2HD ARG 21 -2.103 -2.585 -28.147 149 HD3 ARG 21 3HD ARG 21 -2.975 -2.129 -26.678 150 HE ARG 21 HE ARG 21 -4.967 -2.382 -28.464 151 HH11 ARG 21 1HH1 ARG 21 -2.297 -4.445 -27.631 152 HH12 ARG 21 2HH1 ARG 21 -3.136 -5.914 -28.006 153 HH21 ARG 21 1HH2 ARG 21 -6.089 -4.296 -28.959 154 HH22 ARG 21 2HH2 ARG 21 -5.297 -5.830 -28.765 155 H VAL 22 H VAL 22 -0.959 2.410 -28.444 156 HA VAL 22 HA VAL 22 1.096 0.759 -27.570 157 HB VAL 22 HB VAL 22 1.150 3.545 -28.697 158 HG11 VAL 22 1HG1 VAL 22 3.131 3.452 -27.387 159 HG12 VAL 22 2HG1 VAL 22 3.468 1.798 -27.907 160 HG13 VAL 22 3HG1 VAL 22 3.606 3.131 -29.060 161 HG21 VAL 22 3HG2 VAL 22 2.267 1.125 -30.016 162 HG22 VAL 22 1HG2 VAL 22 0.516 1.350 -29.983 163 HG23 VAL 22 2HG2 VAL 22 1.542 2.571 -30.736 164 H GLN 23 H GLN 23 0.035 3.878 -26.288 165 HA GLN 23 HA GLN 23 2.051 4.400 -24.484 166 HB2 GLN 23 2HB GLN 23 0.277 5.563 -23.133 167 HB3 GLN 23 3HB GLN 23 0.347 6.031 -24.818 168 HG2 GLN 23 2HG GLN 23 -1.523 4.422 -25.257 169 HG3 GLN 23 3HG GLN 23 -1.661 4.227 -23.510 170 HE21 GLN 23 1HE2 GLN 23 -3.833 5.006 -23.817 171 HE22 GLN 23 2HE2 GLN 23 -4.126 6.701 -23.907 172 H GLU 24 H GLU 24 -0.870 2.435 -23.973 173 HA GLU 24 HA GLU 24 -0.416 1.759 -21.295 174 HB2 GLU 24 2HB GLU 24 -2.478 1.311 -22.782 175 HB3 GLU 24 3HB GLU 24 -1.628 -0.152 -23.277 176 HG2 GLU 24 2HG GLU 24 -1.447 -0.312 -20.571 177 HG3 GLU 24 3HG GLU 24 -3.014 0.467 -20.776 178 H CYS 25 H CYS 25 0.889 0.385 -24.251 179 HA CYS 25 HA CYS 25 2.098 -1.873 -22.963 180 HB2 CYS 25 2HB CYS 25 1.550 -2.052 -25.304 181 HB3 CYS 25 3HB CYS 25 2.500 -0.625 -25.693 182 H VAL 26 H VAL 26 3.252 1.270 -24.116 183 HA VAL 26 HA VAL 26 5.974 0.864 -23.473 184 HB VAL 26 HB VAL 26 4.394 3.433 -23.714 185 HG11 VAL 26 1HG1 VAL 26 7.341 2.939 -23.368 186 HG12 VAL 26 2HG1 VAL 26 6.718 4.422 -24.103 187 HG13 VAL 26 3HG1 VAL 26 6.289 4.002 -22.438 188 HG21 VAL 26 3HG2 VAL 26 4.565 1.954 -25.737 189 HG22 VAL 26 1HG2 VAL 26 5.258 3.568 -25.932 190 HG23 VAL 26 2HG2 VAL 26 6.319 2.179 -25.676 191 H SER 27 H SER 27 3.267 2.211 -21.644 192 HA SER 27 HA SER 27 4.680 3.201 -19.449 193 HB2 SER 27 2HB SER 27 2.133 3.344 -20.088 194 HB3 SER 27 3HB SER 27 2.010 1.909 -19.064 195 HG SER 27 HG SER 27 2.174 3.167 -17.390 196 H GLN 28 H GLN 28 3.295 -0.019 -19.990 197 HA GLN 28 HA GLN 28 4.221 -1.046 -17.482 198 HB2 GLN 28 2HB GLN 28 3.157 -2.426 -19.954 199 HB3 GLN 28 3HB GLN 28 3.540 -3.255 -18.450 200 HG2 GLN 28 2HG GLN 28 1.853 -1.092 -17.789 201 HG3 GLN 28 3HG GLN 28 1.152 -1.896 -19.188 202 HE21 GLN 28 1HE2 GLN 28 -0.532 -2.891 -18.223 203 HE22 GLN 28 2HE2 GLN 28 -0.381 -4.099 -17.006 204 H CYS 29 H CYS 29 5.227 -1.489 -20.867 205 HA CYS 29 HA CYS 29 7.335 -3.236 -20.449 206 HB2 CYS 29 2HB CYS 29 6.505 -2.678 -22.685 207 HB3 CYS 29 3HB CYS 29 7.098 -1.027 -22.515 208 H ARG 30 H ARG 30 7.351 0.315 -20.417 209 HA ARG 30 HA ARG 30 10.116 0.606 -19.952 210 HB2 ARG 30 2HB ARG 30 8.905 2.490 -20.774 211 HB3 ARG 30 3HB ARG 30 7.770 2.430 -19.442 212 HG2 ARG 30 2HG ARG 30 9.268 3.339 -17.932 213 HG3 ARG 30 3HG ARG 30 10.666 2.919 -18.922 214 HD2 ARG 30 2HD ARG 30 8.927 4.635 -20.412 215 HD3 ARG 30 3HD ARG 30 9.276 5.358 -18.840 216 HE ARG 30 HE ARG 30 11.120 4.984 -21.019 217 HH11 ARG 30 1HH1 ARG 30 10.801 5.394 -17.577 218 HH12 ARG 30 2HH1 ARG 30 12.405 6.014 -17.369 219 HH21 ARG 30 1HH2 ARG 30 13.225 5.795 -20.757 220 HH22 ARG 30 2HH2 ARG 30 13.779 6.244 -19.181 221 H ARG 31 H ARG 31 7.429 1.169 -17.660 222 HA ARG 31 HA ARG 31 8.990 1.307 -15.365 223 HB2 ARG 31 2HB ARG 31 6.987 1.122 -14.128 224 HB3 ARG 31 3HB ARG 31 6.532 1.892 -15.635 225 HG2 ARG 31 2HG ARG 31 4.951 0.351 -15.839 226 HG3 ARG 31 3HG ARG 31 6.236 -0.829 -16.124 227 HD2 ARG 31 2HD ARG 31 5.417 -1.870 -14.321 228 HD3 ARG 31 3HD ARG 31 6.233 -0.614 -13.403 229 HE ARG 31 HE ARG 31 3.772 0.428 -14.021 230 HH11 ARG 31 1HH1 ARG 31 4.940 -2.395 -12.357 231 HH12 ARG 31 2HH1 ARG 31 3.578 -2.505 -11.297 232 HH21 ARG 31 1HH2 ARG 31 1.972 0.301 -12.634 233 HH22 ARG 31 2HH2 ARG 31 1.884 -0.963 -11.449 234 H ARG 32 H ARG 32 9.267 -0.217 -13.626 235 HA ARG 32 HA ARG 32 8.819 -3.015 -14.103 236 HB2 ARG 32 2HB ARG 32 11.298 -3.551 -13.832 237 HB3 ARG 32 3HB ARG 32 10.793 -2.921 -15.390 238 HG2 ARG 32 2HG ARG 32 11.593 -0.698 -14.756 239 HG3 ARG 32 3HG ARG 32 12.107 -1.339 -13.188 240 HD2 ARG 32 2HD ARG 32 13.222 -3.026 -15.147 241 HD3 ARG 32 3HD ARG 32 13.475 -1.368 -15.718 242 HE ARG 32 HE ARG 32 14.190 -1.458 -13.034 243 HH11 ARG 32 1HH1 ARG 32 15.228 -2.838 -16.054 244 HH12 ARG 32 2HH1 ARG 32 16.882 -2.975 -15.572 245 HH21 ARG 32 1HH2 ARG 32 16.375 -1.634 -12.383 246 HH22 ARG 32 2HH2 ARG 32 17.533 -2.291 -13.483 247 H ARG 33 H ARG 33 7.623 -2.316 -12.123 248 HA ARG 33 HA ARG 33 9.279 -2.839 -9.774 249 HB2 ARG 33 2HB ARG 33 8.567 -0.989 -8.545 250 HB3 ARG 33 3HB ARG 33 8.897 -0.326 -10.139 251 HG2 ARG 33 2HG ARG 33 6.531 -0.365 -10.677 252 HG3 ARG 33 3HG ARG 33 6.171 -1.078 -9.094 253 HD2 ARG 33 2HD ARG 33 7.460 1.621 -9.552 254 HD3 ARG 33 3HD ARG 33 5.761 1.350 -9.159 255 HE ARG 33 HE ARG 33 7.956 1.339 -7.348 256 HH11 ARG 33 1HH1 ARG 33 4.827 -0.047 -7.958 257 HH12 ARG 33 2HH1 ARG 33 4.500 -0.379 -6.289 258 HH21 ARG 33 1HH2 ARG 33 7.549 0.905 -5.151 259 HH22 ARG 33 2HH2 ARG 33 6.047 0.160 -4.691 260 H GLY 34 H GLY 34 6.978 -3.996 -11.534 261 HA2 GLY 34 2HA GLY 34 5.124 -4.581 -9.322 262 HA3 GLY 34 3HA GLY 34 4.704 -4.675 -11.026 263 H GLY 35 H GLY 35 5.953 -6.326 -12.298 264 HA2 GLY 35 2HA GLY 35 6.110 -8.790 -10.704 265 HA3 GLY 35 3HA GLY 35 5.814 -8.716 -12.433 266 H GLY 36 H GLY 36 7.705 -7.669 -13.688 267 HA2 GLY 36 2HA GLY 36 10.013 -7.439 -14.048 268 HA3 GLY 36 3HA GLY 36 10.315 -8.196 -12.499 269 H ASP 37 H ASP 37 11.957 -9.170 -14.139 270 HA ASP 37 HA ASP 37 12.681 -10.951 -15.378 271 HB2 ASP 37 2HB ASP 37 12.559 -12.407 -13.642 272 HB3 ASP 37 3HB ASP 37 10.875 -11.998 -13.287 Start of MODEL 12 1 H1 GLY 1 H GLY 1 28.209 -5.035 -25.803 2 HA2 GLY 1 2HA GLY 1 26.380 -6.028 -24.790 3 HA3 GLY 1 3HA GLY 1 25.421 -4.611 -25.204 4 H SER 2 H SER 2 26.232 -4.828 -28.059 5 HA SER 2 HA SER 2 25.373 -5.694 -29.984 6 HB2 SER 2 2HB SER 2 26.765 -7.658 -29.118 7 HB3 SER 2 3HB SER 2 25.247 -8.349 -28.566 8 HG SER 2 HG SER 2 24.566 -8.554 -30.630 9 H GLY 3 H GLY 3 23.448 -4.369 -29.123 10 HA2 GLY 3 2HA GLY 3 21.079 -5.372 -29.916 11 HA3 GLY 3 3HA GLY 3 21.169 -5.921 -28.244 12 H ARG 4 H ARG 4 19.860 -3.619 -30.096 13 HA ARG 4 HA ARG 4 19.608 -1.789 -27.837 14 HB2 ARG 4 2HB ARG 4 21.411 -1.097 -29.634 15 HB3 ARG 4 3HB ARG 4 19.988 -0.576 -30.539 16 HG2 ARG 4 2HG ARG 4 19.433 1.049 -28.973 17 HG3 ARG 4 3HG ARG 4 20.415 0.304 -27.714 18 HD2 ARG 4 2HD ARG 4 22.430 0.997 -28.758 19 HD3 ARG 4 3HD ARG 4 21.577 1.492 -30.218 20 HE ARG 4 HE ARG 4 20.611 2.938 -27.998 21 HH11 ARG 4 1HH1 ARG 4 23.397 2.673 -30.069 22 HH12 ARG 4 2HH1 ARG 4 23.866 4.333 -29.860 23 HH21 ARG 4 1HH2 ARG 4 21.224 5.116 -27.717 24 HH22 ARG 4 2HH2 ARG 4 22.629 5.719 -28.523 25 H GLY 5 H GLY 5 17.566 -1.160 -27.524 26 HA2 GLY 5 2HA GLY 5 15.718 -1.038 -29.792 27 HA3 GLY 5 3HA GLY 5 15.337 -2.181 -28.525 28 H SER 6 H SER 6 13.360 -0.733 -28.594 29 HA SER 6 HA SER 6 13.552 1.106 -26.368 30 HB2 SER 6 2HB SER 6 13.821 2.916 -27.708 31 HB3 SER 6 3HB SER 6 13.291 2.042 -29.152 32 HG SER 6 HG SER 6 11.697 3.469 -28.795 33 H CYS 7 H CYS 7 11.739 1.080 -25.169 34 HA CYS 7 HA CYS 7 9.742 -0.810 -25.588 35 HB2 CYS 7 2HB CYS 7 9.818 1.670 -23.866 36 HB3 CYS 7 3HB CYS 7 8.453 0.560 -23.852 37 H ARG 8 H ARG 8 10.028 2.431 -26.778 38 HA ARG 8 HA ARG 8 7.268 2.779 -27.449 39 HB2 ARG 8 2HB ARG 8 9.362 4.477 -27.208 40 HB3 ARG 8 3HB ARG 8 9.289 4.305 -28.962 41 HG2 ARG 8 2HG ARG 8 7.019 5.075 -28.991 42 HG3 ARG 8 3HG ARG 8 6.950 5.078 -27.236 43 HD2 ARG 8 2HD ARG 8 7.740 7.150 -27.183 44 HD3 ARG 8 3HD ARG 8 9.185 6.642 -28.059 45 HE ARG 8 HE ARG 8 6.886 8.011 -29.135 46 HH11 ARG 8 1HH1 ARG 8 9.647 6.007 -29.842 47 HH12 ARG 8 2HH1 ARG 8 9.740 6.494 -31.504 48 HH21 ARG 8 1HH2 ARG 8 6.997 8.664 -31.322 49 HH22 ARG 8 2HH2 ARG 8 8.236 8.001 -32.343 50 H SER 9 H SER 9 10.141 2.467 -29.550 51 HA SER 9 HA SER 9 8.774 2.008 -31.923 52 HB2 SER 9 2HB SER 9 11.257 2.460 -31.610 53 HB3 SER 9 3HB SER 9 11.437 0.752 -31.238 54 HG SER 9 HG SER 9 10.521 0.304 -33.302 55 H GLN 10 H GLN 10 9.759 -0.266 -29.415 56 HA GLN 10 HA GLN 10 9.114 -2.624 -30.832 57 HB2 GLN 10 2HB GLN 10 9.653 -1.916 -27.994 58 HB3 GLN 10 3HB GLN 10 8.838 -3.450 -28.303 59 HG2 GLN 10 2HG GLN 10 11.426 -2.652 -29.610 60 HG3 GLN 10 3HG GLN 10 11.336 -3.567 -28.105 61 HE21 GLN 10 1HE2 GLN 10 12.634 -4.666 -30.184 62 HE22 GLN 10 2HE2 GLN 10 11.730 -5.973 -30.861 63 H CYS 11 H CYS 11 7.300 -0.692 -28.469 64 HA CYS 11 HA CYS 11 4.991 -2.327 -28.482 65 HB2 CYS 11 2HB CYS 11 5.605 0.452 -27.564 66 HB3 CYS 11 3HB CYS 11 3.924 -0.068 -27.654 67 H MET 12 H MET 12 6.009 0.420 -30.417 68 HA MET 12 HA MET 12 3.536 0.912 -31.680 69 HB2 MET 12 2HB MET 12 6.385 1.526 -32.426 70 HB3 MET 12 3HB MET 12 5.043 1.962 -33.479 71 HG2 MET 12 2HG MET 12 4.224 2.946 -31.069 72 HG3 MET 12 3HG MET 12 5.964 3.200 -31.004 73 HE1 MET 12 HE1 MET 12 6.528 6.272 -32.942 74 HE2 MET 12 HE2 MET 12 6.401 5.710 -31.268 75 HE3 MET 12 HE3 MET 12 7.301 4.760 -32.456 76 H ARG 13 H ARG 13 6.269 -1.157 -32.525 77 HA ARG 13 HA ARG 13 5.342 -1.939 -35.067 78 HB2 ARG 13 2HB ARG 13 7.210 -3.307 -33.121 79 HB3 ARG 13 3HB ARG 13 6.904 -3.877 -34.752 80 HG2 ARG 13 2HG ARG 13 7.772 -1.057 -34.390 81 HG3 ARG 13 3HG ARG 13 8.959 -2.345 -34.199 82 HD2 ARG 13 2HD ARG 13 7.780 -3.137 -36.479 83 HD3 ARG 13 3HD ARG 13 7.563 -1.397 -36.616 84 HE ARG 13 HE ARG 13 10.238 -2.043 -35.918 85 HH11 ARG 13 1HH1 ARG 13 8.010 -1.991 -38.595 86 HH12 ARG 13 2HH1 ARG 13 9.248 -1.811 -39.784 87 HH21 ARG 13 1HH2 ARG 13 11.880 -1.796 -37.481 88 HH22 ARG 13 2HH2 ARG 13 11.449 -1.695 -39.156 89 H ARG 14 H ARG 14 4.842 -3.249 -31.824 90 HA ARG 14 HA ARG 14 3.439 -5.570 -32.723 91 HB2 ARG 14 2HB ARG 14 4.673 -5.323 -30.515 92 HB3 ARG 14 3HB ARG 14 3.311 -4.342 -29.972 93 HG2 ARG 14 2HG ARG 14 1.899 -6.127 -29.828 94 HG3 ARG 14 3HG ARG 14 2.741 -7.040 -31.084 95 HD2 ARG 14 2HD ARG 14 4.517 -7.607 -29.602 96 HD3 ARG 14 3HD ARG 14 3.928 -6.486 -28.371 97 HE ARG 14 HE ARG 14 1.897 -8.313 -28.849 98 HH11 ARG 14 1HH1 ARG 14 5.151 -8.327 -27.640 99 HH12 ARG 14 2HH1 ARG 14 4.896 -9.690 -26.597 100 HH21 ARG 14 1HH2 ARG 14 1.547 -10.106 -27.488 101 HH22 ARG 14 2HH2 ARG 14 2.847 -10.703 -26.506 102 H HIS 15 H HIS 15 2.585 -2.297 -31.987 103 HA HIS 15 HA HIS 15 -0.263 -2.981 -32.322 104 HB2 HIS 15 2HB HIS 15 0.867 -0.575 -30.879 105 HB3 HIS 15 3HB HIS 15 -0.832 -1.032 -30.984 106 HD1 HIS 15 HD1 HIS 15 -1.115 -3.728 -30.019 107 HD2 HIS 15 HD2 HIS 15 1.851 -1.257 -28.467 108 HE1 HIS 15 HE1 HIS 15 -0.514 -4.720 -27.786 109 H GLU 16 H GLU 16 1.259 -2.695 -34.573 110 HA GLU 16 HA GLU 16 1.393 -0.068 -35.596 111 HB2 GLU 16 2HB GLU 16 2.632 -2.037 -36.514 112 HB3 GLU 16 3HB GLU 16 1.112 -2.642 -37.156 113 HG2 GLU 16 2HG GLU 16 1.790 -1.591 -39.015 114 HG3 GLU 16 3HG GLU 16 1.079 -0.181 -38.220 115 H ASP 17 H ASP 17 -1.190 -2.368 -35.327 116 HA ASP 17 HA ASP 17 -2.891 -0.934 -37.204 117 HB2 ASP 17 2HB ASP 17 -2.765 -3.560 -36.542 118 HB3 ASP 17 3HB ASP 17 -4.070 -3.025 -35.495 119 H GLU 18 H GLU 18 -2.586 -1.466 -33.734 120 HA GLU 18 HA GLU 18 -4.586 0.659 -33.305 121 HB2 GLU 18 2HB GLU 18 -4.061 -1.579 -31.352 122 HB3 GLU 18 3HB GLU 18 -5.401 -0.435 -31.373 123 HG2 GLU 18 2HG GLU 18 -5.539 -1.739 -33.828 124 HG3 GLU 18 3HG GLU 18 -5.146 -2.996 -32.658 125 HA PRO 19 HA PRO 19 -0.447 1.858 -31.504 126 HB2 PRO 19 2HB PRO 19 -0.381 4.317 -32.650 127 HB3 PRO 19 3HB PRO 19 0.233 2.873 -33.450 128 HG2 PRO 19 2HG PRO 19 -2.398 4.267 -33.801 129 HG3 PRO 19 3HG PRO 19 -1.313 3.597 -35.036 130 HD2 PRO 19 2HD PRO 19 -3.529 2.287 -34.171 131 HD3 PRO 19 3HD PRO 19 -2.063 1.442 -34.696 132 H TRP 20 H TRP 20 -3.663 2.809 -31.335 133 HA TRP 20 HA TRP 20 -3.426 5.150 -29.739 134 HB2 TRP 20 2HB TRP 20 -5.619 3.294 -30.490 135 HB3 TRP 20 3HB TRP 20 -5.869 4.306 -29.071 136 HD1 TRP 20 HD1 TRP 20 -4.010 5.501 -32.232 137 HE1 TRP 20 HE1 TRP 20 -5.349 7.444 -33.263 138 HE3 TRP 20 HE3 TRP 20 -8.141 5.354 -29.213 139 HZ2 TRP 20 HZ2 TRP 20 -7.824 8.746 -32.859 140 HZ3 TRP 20 HZ3 TRP 20 -9.944 6.984 -29.594 141 HH2 TRP 20 HH2 TRP 20 -9.790 8.643 -31.384 142 H ARG 21 H ARG 21 -3.032 1.824 -29.090 143 HA ARG 21 HA ARG 21 -3.352 2.251 -26.201 144 HB2 ARG 21 2HB ARG 21 -3.195 -0.286 -26.117 145 HB3 ARG 21 3HB ARG 21 -4.637 0.391 -26.865 146 HG2 ARG 21 2HG ARG 21 -3.912 -0.173 -29.025 147 HG3 ARG 21 3HG ARG 21 -2.250 -0.455 -28.481 148 HD2 ARG 21 2HD ARG 21 -4.673 -2.115 -27.787 149 HD3 ARG 21 3HD ARG 21 -3.386 -2.560 -28.912 150 HE ARG 21 HE ARG 21 -2.323 -1.984 -26.352 151 HH11 ARG 21 1HH1 ARG 21 -4.088 -4.408 -28.109 152 HH12 ARG 21 2HH1 ARG 21 -3.523 -5.718 -27.122 153 HH21 ARG 21 1HH2 ARG 21 -1.582 -3.690 -25.038 154 HH22 ARG 21 2HH2 ARG 21 -2.103 -5.308 -25.375 155 H VAL 22 H VAL 22 -1.014 2.663 -28.334 156 HA VAL 22 HA VAL 22 1.154 1.090 -27.625 157 HB VAL 22 HB VAL 22 1.002 3.948 -28.549 158 HG11 VAL 22 1HG1 VAL 22 3.011 3.895 -27.290 159 HG12 VAL 22 2HG1 VAL 22 3.450 2.300 -27.922 160 HG13 VAL 22 3HG1 VAL 22 3.480 3.712 -28.978 161 HG21 VAL 22 3HG2 VAL 22 0.671 1.570 -29.878 162 HG22 VAL 22 1HG2 VAL 22 1.119 3.101 -30.626 163 HG23 VAL 22 2HG2 VAL 22 2.374 1.939 -30.177 164 H GLN 23 H GLN 23 -0.002 4.100 -26.138 165 HA GLN 23 HA GLN 23 2.043 4.514 -24.309 166 HB2 GLN 23 2HB GLN 23 -0.262 5.796 -24.865 167 HB3 GLN 23 3HB GLN 23 -0.729 4.999 -23.361 168 HG2 GLN 23 2HG GLN 23 1.835 6.172 -23.009 169 HG3 GLN 23 3HG GLN 23 0.752 7.370 -23.698 170 HE21 GLN 23 1HE2 GLN 23 0.472 8.632 -21.939 171 HE22 GLN 23 2HE2 GLN 23 -0.282 8.098 -20.480 172 H GLU 24 H GLU 24 -0.990 2.708 -23.785 173 HA GLU 24 HA GLU 24 -0.491 1.860 -21.190 174 HB2 GLU 24 2HB GLU 24 -2.611 1.597 -22.604 175 HB3 GLU 24 3HB GLU 24 -1.875 0.133 -23.232 176 HG2 GLU 24 2HG GLU 24 -1.589 -0.255 -20.570 177 HG3 GLU 24 3HG GLU 24 -3.088 0.660 -20.617 178 H CYS 25 H CYS 25 0.710 0.605 -24.231 179 HA CYS 25 HA CYS 25 1.787 -1.806 -23.124 180 HB2 CYS 25 2HB CYS 25 1.233 -1.787 -25.457 181 HB3 CYS 25 3HB CYS 25 2.257 -0.380 -25.745 182 H VAL 26 H VAL 26 3.132 1.334 -24.056 183 HA VAL 26 HA VAL 26 5.821 0.721 -23.441 184 HB VAL 26 HB VAL 26 4.403 3.390 -23.530 185 HG11 VAL 26 1HG1 VAL 26 7.340 2.748 -23.314 186 HG12 VAL 26 2HG1 VAL 26 6.707 4.329 -23.754 187 HG13 VAL 26 3HG1 VAL 26 6.353 3.650 -22.159 188 HG21 VAL 26 3HG2 VAL 26 5.056 3.569 -25.734 189 HG22 VAL 26 1HG2 VAL 26 6.352 2.372 -25.561 190 HG23 VAL 26 2HG2 VAL 26 4.666 1.845 -25.610 191 H SER 27 H SER 27 3.204 2.165 -21.539 192 HA SER 27 HA SER 27 4.601 2.967 -19.292 193 HB2 SER 27 2HB SER 27 1.869 2.514 -19.987 194 HB3 SER 27 3HB SER 27 2.162 1.790 -18.406 195 HG SER 27 HG SER 27 1.720 4.292 -18.873 196 H GLN 28 H GLN 28 3.489 -0.261 -20.175 197 HA GLN 28 HA GLN 28 4.243 -1.467 -17.691 198 HB2 GLN 28 2HB GLN 28 3.602 -2.686 -20.386 199 HB3 GLN 28 3HB GLN 28 3.861 -3.604 -18.912 200 HG2 GLN 28 2HG GLN 28 1.945 -1.731 -18.214 201 HG3 GLN 28 3HG GLN 28 1.497 -2.236 -19.853 202 HE21 GLN 28 1HE2 GLN 28 -0.176 -3.545 -19.536 203 HE22 GLN 28 2HE2 GLN 28 -0.170 -4.946 -18.518 204 H CYS 29 H CYS 29 5.616 -1.568 -20.981 205 HA CYS 29 HA CYS 29 7.844 -3.121 -20.440 206 HB2 CYS 29 2HB CYS 29 7.157 -2.534 -22.708 207 HB3 CYS 29 3HB CYS 29 7.581 -0.850 -22.414 208 H ARG 30 H ARG 30 7.658 0.440 -20.507 209 HA ARG 30 HA ARG 30 10.272 0.906 -19.621 210 HB2 ARG 30 2HB ARG 30 9.090 2.700 -20.637 211 HB3 ARG 30 3HB ARG 30 7.773 2.572 -19.479 212 HG2 ARG 30 2HG ARG 30 9.045 3.535 -17.758 213 HG3 ARG 30 3HG ARG 30 10.556 3.291 -18.629 214 HD2 ARG 30 2HD ARG 30 8.728 4.880 -20.186 215 HD3 ARG 30 3HD ARG 30 8.958 5.584 -18.582 216 HE ARG 30 HE ARG 30 11.443 4.875 -19.707 217 HH11 ARG 30 1HH1 ARG 30 8.899 7.223 -19.996 218 HH12 ARG 30 2HH1 ARG 30 9.938 8.475 -20.602 219 HH21 ARG 30 1HH2 ARG 30 12.831 6.499 -20.515 220 HH22 ARG 30 2HH2 ARG 30 12.168 8.058 -20.896 221 H ARG 31 H ARG 31 7.300 1.417 -17.715 222 HA ARG 31 HA ARG 31 8.684 1.442 -15.236 223 HB2 ARG 31 2HB ARG 31 5.747 0.874 -15.597 224 HB3 ARG 31 3HB ARG 31 6.553 1.603 -14.209 225 HG2 ARG 31 2HG ARG 31 7.160 3.236 -16.402 226 HG3 ARG 31 3HG ARG 31 5.447 2.862 -16.535 227 HD2 ARG 31 2HD ARG 31 4.942 3.817 -14.479 228 HD3 ARG 31 3HD ARG 31 6.612 3.708 -13.918 229 HE ARG 31 HE ARG 31 6.385 5.446 -16.159 230 HH11 ARG 31 1HH1 ARG 31 5.814 5.251 -12.728 231 HH12 ARG 31 2HH1 ARG 31 5.971 6.959 -12.478 232 HH21 ARG 31 1HH2 ARG 31 6.587 7.691 -15.837 233 HH22 ARG 31 2HH2 ARG 31 6.412 8.344 -14.243 234 H ARG 32 H ARG 32 7.418 -0.122 -13.476 235 HA ARG 32 HA ARG 32 7.552 -2.182 -12.526 236 HB2 ARG 32 2HB ARG 32 6.549 -2.933 -15.278 237 HB3 ARG 32 3HB ARG 32 6.601 -4.045 -13.907 238 HG2 ARG 32 2HG ARG 32 5.239 -2.030 -12.792 239 HG3 ARG 32 3HG ARG 32 4.755 -1.829 -14.479 240 HD2 ARG 32 2HD ARG 32 4.500 -4.322 -12.812 241 HD3 ARG 32 3HD ARG 32 3.184 -3.266 -13.338 242 HE ARG 32 HE ARG 32 4.301 -4.013 -15.672 243 HH11 ARG 32 1HH1 ARG 32 3.230 -5.821 -12.890 244 HH12 ARG 32 2HH1 ARG 32 2.821 -7.231 -13.799 245 HH21 ARG 32 1HH2 ARG 32 3.763 -5.868 -16.878 246 HH22 ARG 32 2HH2 ARG 32 3.119 -7.258 -16.067 247 H ARG 33 H ARG 33 9.970 -1.172 -13.693 248 HA ARG 33 HA ARG 33 11.294 -3.319 -15.072 249 HB2 ARG 33 2HB ARG 33 13.230 -1.942 -15.040 250 HB3 ARG 33 3HB ARG 33 11.859 -0.869 -15.290 251 HG2 ARG 33 2HG ARG 33 11.897 -0.304 -12.896 252 HG3 ARG 33 3HG ARG 33 13.337 -1.313 -12.716 253 HD2 ARG 33 2HD ARG 33 13.880 0.385 -14.869 254 HD3 ARG 33 3HD ARG 33 13.111 1.405 -13.655 255 HE ARG 33 HE ARG 33 15.054 -0.152 -12.382 256 HH11 ARG 33 1HH1 ARG 33 14.828 2.424 -14.720 257 HH12 ARG 33 2HH1 ARG 33 16.373 3.101 -14.312 258 HH21 ARG 33 1HH2 ARG 33 17.080 0.732 -11.840 259 HH22 ARG 33 2HH2 ARG 33 17.649 2.145 -12.670 260 H GLY 34 H GLY 34 10.586 -2.637 -11.824 261 HA2 GLY 34 2HA GLY 34 12.762 -3.585 -10.409 262 HA3 GLY 34 3HA GLY 34 11.090 -3.762 -9.880 263 H GLY 35 H GLY 35 9.977 -5.532 -11.524 264 HA2 GLY 35 2HA GLY 35 11.529 -7.732 -12.306 265 HA3 GLY 35 3HA GLY 35 10.987 -7.998 -10.660 266 H GLY 36 H GLY 36 9.010 -8.814 -10.327 267 HA2 GLY 36 2HA GLY 36 6.774 -9.307 -10.746 268 HA3 GLY 36 3HA GLY 36 6.908 -8.453 -12.283 269 H ASP 37 H ASP 37 5.596 -10.322 -13.009 270 HA ASP 37 HA ASP 37 7.210 -12.745 -13.447 271 HB2 ASP 37 2HB ASP 37 5.018 -13.089 -12.375 272 HB3 ASP 37 3HB ASP 37 4.221 -12.333 -13.749 Start of MODEL 13 1 H1 GLY 1 H GLY 1 24.082 -2.317 -25.343 2 HA2 GLY 1 2HA GLY 1 22.532 -1.034 -26.442 3 HA3 GLY 1 3HA GLY 1 23.735 0.252 -26.354 4 H SER 2 H SER 2 23.884 -2.829 -28.109 5 HA SER 2 HA SER 2 24.808 -1.497 -30.479 6 HB2 SER 2 2HB SER 2 23.852 -4.343 -30.509 7 HB3 SER 2 3HB SER 2 25.242 -3.616 -31.318 8 HG SER 2 HG SER 2 25.379 -4.999 -29.190 9 H GLY 3 H GLY 3 23.777 -1.399 -32.506 10 HA2 GLY 3 2HA GLY 3 22.008 -1.018 -33.917 11 HA3 GLY 3 3HA GLY 3 21.193 -2.329 -33.073 12 H ARG 4 H ARG 4 19.178 -1.383 -33.072 13 HA ARG 4 HA ARG 4 18.899 0.913 -31.251 14 HB2 ARG 4 2HB ARG 4 17.084 1.786 -32.680 15 HB3 ARG 4 3HB ARG 4 18.632 1.784 -33.502 16 HG2 ARG 4 2HG ARG 4 18.023 -0.181 -34.754 17 HG3 ARG 4 3HG ARG 4 16.504 -0.312 -33.859 18 HD2 ARG 4 2HD ARG 4 17.230 2.119 -35.467 19 HD3 ARG 4 3HD ARG 4 16.391 0.740 -36.165 20 HE ARG 4 HE ARG 4 14.961 1.461 -33.912 21 HH11 ARG 4 1HH1 ARG 4 15.860 2.894 -36.955 22 HH12 ARG 4 2HH1 ARG 4 14.445 3.906 -37.037 23 HH21 ARG 4 1HH2 ARG 4 13.103 2.783 -34.016 24 HH22 ARG 4 2HH2 ARG 4 12.889 3.836 -35.362 25 H GLY 5 H GLY 5 17.049 0.921 -29.964 26 HA2 GLY 5 2HA GLY 5 14.872 -0.866 -30.260 27 HA3 GLY 5 3HA GLY 5 16.049 -1.565 -29.153 28 H SER 6 H SER 6 13.240 -0.185 -29.030 29 HA SER 6 HA SER 6 13.680 0.958 -26.420 30 HB2 SER 6 2HB SER 6 13.869 3.072 -27.227 31 HB3 SER 6 3HB SER 6 13.192 2.636 -28.793 32 HG SER 6 HG SER 6 11.994 3.992 -26.957 33 H CYS 7 H CYS 7 11.803 1.084 -25.163 34 HA CYS 7 HA CYS 7 9.856 -0.845 -25.616 35 HB2 CYS 7 2HB CYS 7 9.849 1.582 -23.831 36 HB3 CYS 7 3HB CYS 7 8.563 0.379 -23.813 37 H ARG 8 H ARG 8 10.037 2.437 -26.703 38 HA ARG 8 HA ARG 8 7.258 2.745 -27.317 39 HB2 ARG 8 2HB ARG 8 9.330 4.476 -27.092 40 HB3 ARG 8 3HB ARG 8 9.224 4.339 -28.844 41 HG2 ARG 8 2HG ARG 8 6.815 4.927 -28.688 42 HG3 ARG 8 3HG ARG 8 7.033 5.191 -26.954 43 HD2 ARG 8 2HD ARG 8 9.056 6.682 -27.999 44 HD3 ARG 8 3HD ARG 8 7.811 6.869 -29.221 45 HE ARG 8 HE ARG 8 6.518 7.315 -26.866 46 HH11 ARG 8 1HH1 ARG 8 9.317 8.672 -28.435 47 HH12 ARG 8 2HH1 ARG 8 9.111 10.239 -27.731 48 HH21 ARG 8 1HH2 ARG 8 6.235 9.379 -25.938 49 HH22 ARG 8 2HH2 ARG 8 7.358 10.640 -26.307 50 H SER 9 H SER 9 10.086 2.531 -29.492 51 HA SER 9 HA SER 9 8.687 2.102 -31.842 52 HB2 SER 9 2HB SER 9 11.435 1.142 -31.029 53 HB3 SER 9 3HB SER 9 10.815 1.048 -32.672 54 HG SER 9 HG SER 9 10.958 3.176 -32.876 55 H GLN 10 H GLN 10 9.720 -0.206 -29.398 56 HA GLN 10 HA GLN 10 9.093 -2.552 -30.841 57 HB2 GLN 10 2HB GLN 10 9.628 -1.889 -27.994 58 HB3 GLN 10 3HB GLN 10 8.829 -3.413 -28.337 59 HG2 GLN 10 2HG GLN 10 11.404 -2.585 -29.631 60 HG3 GLN 10 3HG GLN 10 11.317 -3.515 -28.144 61 HE21 GLN 10 1HE2 GLN 10 12.513 -5.128 -29.349 62 HE22 GLN 10 2HE2 GLN 10 11.658 -6.209 -30.389 63 H CYS 11 H CYS 11 7.263 -0.707 -28.414 64 HA CYS 11 HA CYS 11 4.958 -2.359 -28.507 65 HB2 CYS 11 2HB CYS 11 5.511 0.408 -27.485 66 HB3 CYS 11 3HB CYS 11 3.870 -0.227 -27.500 67 H MET 12 H MET 12 6.060 0.343 -30.421 68 HA MET 12 HA MET 12 3.569 1.009 -31.587 69 HB2 MET 12 2HB MET 12 6.427 1.525 -32.328 70 HB3 MET 12 3HB MET 12 5.134 1.977 -33.424 71 HG2 MET 12 2HG MET 12 4.185 3.121 -31.236 72 HG3 MET 12 3HG MET 12 5.885 3.115 -30.786 73 HE1 MET 12 HE1 MET 12 7.224 4.725 -31.040 74 HE2 MET 12 HE2 MET 12 7.836 4.680 -32.692 75 HE3 MET 12 HE3 MET 12 7.123 6.160 -32.067 76 H ARG 13 H ARG 13 6.258 -1.041 -32.673 77 HA ARG 13 HA ARG 13 5.095 -1.788 -35.131 78 HB2 ARG 13 2HB ARG 13 7.167 -3.173 -33.430 79 HB3 ARG 13 3HB ARG 13 6.735 -3.672 -35.061 80 HG2 ARG 13 2HG ARG 13 7.492 -0.842 -34.739 81 HG3 ARG 13 3HG ARG 13 8.780 -2.023 -34.473 82 HD2 ARG 13 2HD ARG 13 8.403 -2.983 -36.653 83 HD3 ARG 13 3HD ARG 13 7.001 -1.939 -36.910 84 HE ARG 13 HE ARG 13 9.042 -0.205 -36.472 85 HH11 ARG 13 1HH1 ARG 13 8.534 -2.853 -38.674 86 HH12 ARG 13 2HH1 ARG 13 9.514 -2.182 -39.923 87 HH21 ARG 13 1HH2 ARG 13 10.342 0.699 -38.120 88 HH22 ARG 13 2HH2 ARG 13 10.547 -0.154 -39.611 89 H ARG 14 H ARG 14 4.878 -3.128 -31.886 90 HA ARG 14 HA ARG 14 3.535 -5.517 -32.660 91 HB2 ARG 14 2HB ARG 14 4.835 -5.148 -30.521 92 HB3 ARG 14 3HB ARG 14 3.464 -4.209 -29.943 93 HG2 ARG 14 2HG ARG 14 2.031 -6.137 -30.066 94 HG3 ARG 14 3HG ARG 14 3.304 -7.091 -30.819 95 HD2 ARG 14 2HD ARG 14 3.601 -5.843 -28.102 96 HD3 ARG 14 3HD ARG 14 2.944 -7.460 -28.341 97 HE ARG 14 HE ARG 14 5.693 -6.663 -28.532 98 HH11 ARG 14 1HH1 ARG 14 3.321 -9.001 -29.538 99 HH12 ARG 14 2HH1 ARG 14 4.484 -10.248 -29.844 100 HH21 ARG 14 1HH2 ARG 14 7.241 -8.292 -28.937 101 HH22 ARG 14 2HH2 ARG 14 6.712 -9.836 -29.501 102 H HIS 15 H HIS 15 2.548 -2.271 -31.942 103 HA HIS 15 HA HIS 15 -0.270 -3.091 -32.188 104 HB2 HIS 15 2HB HIS 15 0.790 -0.639 -30.774 105 HB3 HIS 15 3HB HIS 15 -0.890 -1.157 -30.849 106 HD1 HIS 15 HD1 HIS 15 -1.010 -3.880 -29.882 107 HD2 HIS 15 HD2 HIS 15 1.832 -1.251 -28.373 108 HE1 HIS 15 HE1 HIS 15 -0.326 -4.835 -27.661 109 H GLU 16 H GLU 16 1.313 -2.679 -34.442 110 HA GLU 16 HA GLU 16 1.187 -0.057 -35.469 111 HB2 GLU 16 2HB GLU 16 2.556 -2.021 -36.345 112 HB3 GLU 16 3HB GLU 16 1.086 -2.570 -37.140 113 HG2 GLU 16 2HG GLU 16 1.006 -0.309 -38.253 114 HG3 GLU 16 3HG GLU 16 2.631 -0.045 -37.636 115 H ASP 17 H ASP 17 -1.178 -2.565 -35.200 116 HA ASP 17 HA ASP 17 -2.985 -1.392 -37.133 117 HB2 ASP 17 2HB ASP 17 -2.765 -3.896 -36.595 118 HB3 ASP 17 3HB ASP 17 -3.687 -3.532 -35.143 119 H GLU 18 H GLU 18 -2.381 -1.236 -33.724 120 HA GLU 18 HA GLU 18 -4.546 0.725 -33.467 121 HB2 GLU 18 2HB GLU 18 -4.101 -1.381 -31.350 122 HB3 GLU 18 3HB GLU 18 -5.424 -0.225 -31.481 123 HG2 GLU 18 2HG GLU 18 -6.124 -1.389 -33.575 124 HG3 GLU 18 3HG GLU 18 -4.904 -2.620 -33.221 125 HA PRO 19 HA PRO 19 -0.487 2.089 -31.641 126 HB2 PRO 19 2HB PRO 19 -0.476 4.518 -32.855 127 HB3 PRO 19 3HB PRO 19 0.182 3.056 -33.610 128 HG2 PRO 19 2HG PRO 19 -2.480 4.367 -34.020 129 HG3 PRO 19 3HG PRO 19 -1.378 3.683 -35.226 130 HD2 PRO 19 2HD PRO 19 -3.563 2.350 -34.340 131 HD3 PRO 19 3HD PRO 19 -2.065 1.519 -34.824 132 H TRP 20 H TRP 20 -3.741 2.985 -31.540 133 HA TRP 20 HA TRP 20 -3.456 5.330 -29.900 134 HB2 TRP 20 2HB TRP 20 -5.491 4.288 -31.425 135 HB3 TRP 20 3HB TRP 20 -6.034 3.957 -29.788 136 HD1 TRP 20 HD1 TRP 20 -5.506 6.415 -28.160 137 HE1 TRP 20 HE1 TRP 20 -6.453 8.732 -28.738 138 HE3 TRP 20 HE3 TRP 20 -6.441 5.684 -33.136 139 HZ2 TRP 20 HZ2 TRP 20 -7.468 10.072 -31.003 140 HZ3 TRP 20 HZ3 TRP 20 -7.401 7.544 -34.441 141 HH2 TRP 20 HH2 TRP 20 -7.907 9.686 -33.390 142 H ARG 21 H ARG 21 -2.551 2.393 -29.197 143 HA ARG 21 HA ARG 21 -3.332 2.622 -26.389 144 HB2 ARG 21 2HB ARG 21 -3.667 0.181 -26.246 145 HB3 ARG 21 3HB ARG 21 -4.820 0.943 -27.330 146 HG2 ARG 21 2HG ARG 21 -3.984 -0.073 -29.174 147 HG3 ARG 21 3HG ARG 21 -2.337 -0.119 -28.537 148 HD2 ARG 21 2HD ARG 21 -4.627 -1.885 -27.694 149 HD3 ARG 21 3HD ARG 21 -3.260 -2.364 -28.690 150 HE ARG 21 HE ARG 21 -2.514 -1.312 -26.114 151 HH11 ARG 21 1HH1 ARG 21 -3.440 -4.159 -27.906 152 HH12 ARG 21 2HH1 ARG 21 -2.696 -5.259 -26.790 153 HH21 ARG 21 1HH2 ARG 21 -1.525 -2.755 -24.652 154 HH22 ARG 21 2HH2 ARG 21 -1.607 -4.463 -24.947 155 H VAL 22 H VAL 22 -0.897 2.765 -28.412 156 HA VAL 22 HA VAL 22 1.014 0.898 -27.621 157 HB VAL 22 HB VAL 22 1.327 3.736 -28.598 158 HG11 VAL 22 1HG1 VAL 22 3.289 3.306 -27.322 159 HG12 VAL 22 2HG1 VAL 22 3.454 1.682 -28.009 160 HG13 VAL 22 3HG1 VAL 22 3.714 3.100 -29.020 161 HG21 VAL 22 3HG2 VAL 22 2.226 1.390 -30.159 162 HG22 VAL 22 1HG2 VAL 22 0.478 1.585 -29.961 163 HG23 VAL 22 2HG2 VAL 22 1.447 2.874 -30.689 164 H GLN 23 H GLN 23 0.141 4.031 -26.222 165 HA GLN 23 HA GLN 23 2.177 4.351 -24.382 166 HB2 GLN 23 2HB GLN 23 0.467 5.563 -22.992 167 HB3 GLN 23 3HB GLN 23 0.575 6.092 -24.660 168 HG2 GLN 23 2HG GLN 23 -1.381 4.621 -25.159 169 HG3 GLN 23 3HG GLN 23 -1.538 4.351 -23.424 170 HE21 GLN 23 1HE2 GLN 23 -3.210 5.470 -22.731 171 HE22 GLN 23 2HE2 GLN 23 -3.579 7.108 -23.124 172 H GLU 24 H GLU 24 -0.852 2.539 -23.964 173 HA GLU 24 HA GLU 24 -0.478 1.736 -21.322 174 HB2 GLU 24 2HB GLU 24 -2.521 1.438 -22.853 175 HB3 GLU 24 3HB GLU 24 -1.736 -0.037 -23.411 176 HG2 GLU 24 2HG GLU 24 -1.603 -0.324 -20.701 177 HG3 GLU 24 3HG GLU 24 -3.139 0.528 -20.902 178 H CYS 25 H CYS 25 0.835 0.420 -24.304 179 HA CYS 25 HA CYS 25 1.907 -1.944 -23.083 180 HB2 CYS 25 2HB CYS 25 1.419 -1.995 -25.441 181 HB3 CYS 25 3HB CYS 25 2.439 -0.593 -25.740 182 H VAL 26 H VAL 26 3.249 1.188 -24.075 183 HA VAL 26 HA VAL 26 5.925 0.640 -23.382 184 HB VAL 26 HB VAL 26 4.463 3.274 -23.547 185 HG11 VAL 26 1HG1 VAL 26 6.391 3.563 -22.131 186 HG12 VAL 26 2HG1 VAL 26 7.411 2.705 -23.285 187 HG13 VAL 26 3HG1 VAL 26 6.728 4.276 -23.718 188 HG21 VAL 26 3HG2 VAL 26 6.443 2.177 -25.513 189 HG22 VAL 26 1HG2 VAL 26 4.736 1.767 -25.608 190 HG23 VAL 26 2HG2 VAL 26 5.250 3.450 -25.742 191 H SER 27 H SER 27 3.247 2.061 -21.559 192 HA SER 27 HA SER 27 4.586 2.925 -19.301 193 HB2 SER 27 2HB SER 27 2.164 3.280 -19.754 194 HB3 SER 27 3HB SER 27 1.861 1.589 -19.357 195 HG SER 27 HG SER 27 1.537 2.577 -17.462 196 H GLN 28 H GLN 28 3.545 -0.336 -20.160 197 HA GLN 28 HA GLN 28 4.255 -1.481 -17.639 198 HB2 GLN 28 2HB GLN 28 3.668 -2.739 -20.322 199 HB3 GLN 28 3HB GLN 28 3.952 -3.651 -18.853 200 HG2 GLN 28 2HG GLN 28 2.001 -1.904 -18.091 201 HG3 GLN 28 3HG GLN 28 1.573 -2.257 -19.757 202 HE21 GLN 28 1HE2 GLN 28 -0.128 -3.578 -19.527 203 HE22 GLN 28 2HE2 GLN 28 -0.107 -5.069 -18.672 204 H CYS 29 H CYS 29 5.700 -1.622 -20.897 205 HA CYS 29 HA CYS 29 7.945 -3.122 -20.269 206 HB2 CYS 29 2HB CYS 29 7.306 -2.589 -22.569 207 HB3 CYS 29 3HB CYS 29 7.687 -0.891 -22.296 208 H ARG 30 H ARG 30 7.702 0.430 -20.410 209 HA ARG 30 HA ARG 30 10.288 0.963 -19.490 210 HB2 ARG 30 2HB ARG 30 9.076 2.727 -20.523 211 HB3 ARG 30 3HB ARG 30 7.746 2.576 -19.383 212 HG2 ARG 30 2HG ARG 30 8.987 3.559 -17.646 213 HG3 ARG 30 3HG ARG 30 10.508 3.381 -18.519 214 HD2 ARG 30 2HD ARG 30 8.626 4.895 -20.081 215 HD3 ARG 30 3HD ARG 30 8.812 5.609 -18.481 216 HE ARG 30 HE ARG 30 11.330 4.974 -19.644 217 HH11 ARG 30 1HH1 ARG 30 8.740 7.292 -19.727 218 HH12 ARG 30 2HH1 ARG 30 9.747 8.588 -20.275 219 HH21 ARG 30 1HH2 ARG 30 12.662 6.677 -20.359 220 HH22 ARG 30 2HH2 ARG 30 11.975 8.244 -20.639 221 H ARG 31 H ARG 31 7.286 0.341 -17.766 222 HA ARG 31 HA ARG 31 8.005 1.179 -15.217 223 HB2 ARG 31 2HB ARG 31 6.003 -0.611 -16.386 224 HB3 ARG 31 3HB ARG 31 6.467 -1.067 -14.749 225 HG2 ARG 31 2HG ARG 31 5.596 1.712 -15.508 226 HG3 ARG 31 3HG ARG 31 4.492 0.461 -14.930 227 HD2 ARG 31 2HD ARG 31 6.750 0.626 -13.184 228 HD3 ARG 31 3HD ARG 31 6.077 2.238 -13.410 229 HE ARG 31 HE ARG 31 4.021 0.362 -12.887 230 HH11 ARG 31 1HH1 ARG 31 6.608 2.107 -11.337 231 HH12 ARG 31 2HH1 ARG 31 5.851 2.106 -9.774 232 HH21 ARG 31 1HH2 ARG 31 3.013 0.357 -10.840 233 HH22 ARG 31 2HH2 ARG 31 3.801 1.110 -9.492 234 H ARG 32 H ARG 32 8.656 -0.072 -13.347 235 HA ARG 32 HA ARG 32 10.185 -1.355 -12.257 236 HB2 ARG 32 2HB ARG 32 9.429 -3.394 -14.360 237 HB3 ARG 32 3HB ARG 32 10.222 -3.738 -12.830 238 HG2 ARG 32 2HG ARG 32 8.064 -2.492 -11.897 239 HG3 ARG 32 3HG ARG 32 7.393 -3.124 -13.403 240 HD2 ARG 32 2HD ARG 32 7.984 -5.359 -12.798 241 HD3 ARG 32 3HD ARG 32 8.869 -4.803 -11.384 242 HE ARG 32 HE ARG 32 6.263 -3.905 -11.110 243 HH11 ARG 32 1HH1 ARG 32 7.959 -6.943 -11.297 244 HH12 ARG 32 2HH1 ARG 32 6.812 -7.799 -10.315 245 HH21 ARG 32 1HH2 ARG 32 4.741 -5.021 -9.823 246 HH22 ARG 32 2HH2 ARG 32 4.976 -6.702 -9.481 247 H ARG 33 H ARG 33 11.669 0.302 -13.376 248 HA ARG 33 HA ARG 33 13.396 -0.807 -15.431 249 HB2 ARG 33 2HB ARG 33 14.489 1.327 -15.435 250 HB3 ARG 33 3HB ARG 33 12.749 1.612 -15.338 251 HG2 ARG 33 2HG ARG 33 13.128 2.909 -13.585 252 HG3 ARG 33 3HG ARG 33 13.644 1.480 -12.697 253 HD2 ARG 33 2HD ARG 33 15.568 2.640 -12.487 254 HD3 ARG 33 3HD ARG 33 15.885 2.004 -14.096 255 HE ARG 33 HE ARG 33 14.498 4.376 -14.439 256 HH11 ARG 33 1HH1 ARG 33 17.528 3.346 -13.067 257 HH12 ARG 33 2HH1 ARG 33 18.348 4.829 -13.406 258 HH21 ARG 33 1HH2 ARG 33 15.558 6.345 -14.887 259 HH22 ARG 33 2HH2 ARG 33 17.224 6.540 -14.447 260 H GLY 34 H GLY 34 13.254 -0.805 -12.034 261 HA2 GLY 34 2HA GLY 34 15.742 -2.248 -11.865 262 HA3 GLY 34 3HA GLY 34 15.799 -0.671 -11.093 263 H GLY 35 H GLY 35 16.308 -2.658 -9.463 264 HA2 GLY 35 2HA GLY 35 14.446 -2.440 -7.412 265 HA3 GLY 35 3HA GLY 35 14.037 -3.908 -8.291 266 H GLY 36 H GLY 36 15.304 -5.719 -8.091 267 HA2 GLY 36 2HA GLY 36 17.259 -5.603 -5.904 268 HA3 GLY 36 3HA GLY 36 16.471 -7.053 -6.507 269 H ASP 37 H ASP 37 19.106 -7.218 -6.102 270 HA ASP 37 HA ASP 37 20.164 -7.295 -8.837 271 HB2 ASP 37 2HB ASP 37 22.208 -6.331 -8.260 272 HB3 ASP 37 3HB ASP 37 21.062 -5.362 -7.333 Start of MODEL 14 1 H1 GLY 1 H GLY 1 26.025 -5.432 -23.081 2 HA2 GLY 1 2HA GLY 1 25.458 -4.961 -25.253 3 HA3 GLY 1 3HA GLY 1 24.316 -6.287 -25.160 4 H SER 2 H SER 2 24.610 -3.034 -25.671 5 HA SER 2 HA SER 2 21.746 -2.659 -25.492 6 HB2 SER 2 2HB SER 2 22.537 -2.042 -23.219 7 HB3 SER 2 3HB SER 2 23.595 -0.830 -23.941 8 HG SER 2 HG SER 2 20.890 -0.761 -24.617 9 H GLY 3 H GLY 3 21.900 -2.439 -27.747 10 HA2 GLY 3 2HA GLY 3 23.368 -0.071 -28.704 11 HA3 GLY 3 3HA GLY 3 22.904 -1.436 -29.702 12 H ARG 4 H ARG 4 20.596 -1.728 -30.127 13 HA ARG 4 HA ARG 4 19.179 0.864 -30.142 14 HB2 ARG 4 2HB ARG 4 18.057 0.095 -32.187 15 HB3 ARG 4 3HB ARG 4 19.807 0.136 -32.382 16 HG2 ARG 4 2HG ARG 4 19.921 -2.060 -32.769 17 HG3 ARG 4 3HG ARG 4 18.794 -2.443 -31.474 18 HD2 ARG 4 2HD ARG 4 16.924 -1.819 -32.933 19 HD3 ARG 4 3HD ARG 4 18.063 -1.427 -34.218 20 HE ARG 4 HE ARG 4 17.116 -4.018 -33.512 21 HH11 ARG 4 1HH1 ARG 4 19.865 -2.288 -34.765 22 HH12 ARG 4 2HH1 ARG 4 20.492 -3.656 -35.633 23 HH21 ARG 4 1HH2 ARG 4 17.921 -5.818 -34.648 24 HH22 ARG 4 2HH2 ARG 4 19.386 -5.660 -35.564 25 H GLY 5 H GLY 5 16.686 0.335 -30.635 26 HA2 GLY 5 2HA GLY 5 14.828 -1.094 -30.096 27 HA3 GLY 5 3HA GLY 5 15.831 -1.837 -28.852 28 H SER 6 H SER 6 13.143 -0.394 -28.890 29 HA SER 6 HA SER 6 13.548 0.984 -26.391 30 HB2 SER 6 2HB SER 6 13.757 3.013 -27.384 31 HB3 SER 6 3HB SER 6 13.112 2.433 -28.910 32 HG SER 6 HG SER 6 11.892 3.966 -27.249 33 H CYS 7 H CYS 7 11.695 1.122 -25.146 34 HA CYS 7 HA CYS 7 9.718 -0.787 -25.536 35 HB2 CYS 7 2HB CYS 7 9.762 1.697 -23.817 36 HB3 CYS 7 3HB CYS 7 8.449 0.532 -23.768 37 H ARG 8 H ARG 8 9.926 2.484 -26.681 38 HA ARG 8 HA ARG 8 7.164 2.791 -27.302 39 HB2 ARG 8 2HB ARG 8 9.254 4.517 -27.116 40 HB3 ARG 8 3HB ARG 8 9.128 4.348 -28.865 41 HG2 ARG 8 2HG ARG 8 6.731 4.961 -28.706 42 HG3 ARG 8 3HG ARG 8 6.964 5.244 -26.983 43 HD2 ARG 8 2HD ARG 8 8.705 6.921 -27.537 44 HD3 ARG 8 3HD ARG 8 8.348 6.687 -29.242 45 HE ARG 8 HE ARG 8 5.957 7.318 -27.977 46 HH11 ARG 8 1HH1 ARG 8 9.034 8.804 -28.597 47 HH12 ARG 8 2HH1 ARG 8 8.400 10.422 -28.623 48 HH21 ARG 8 1HH2 ARG 8 5.100 9.434 -28.014 49 HH22 ARG 8 2HH2 ARG 8 6.161 10.770 -28.287 50 H SER 9 H SER 9 9.986 2.512 -29.475 51 HA SER 9 HA SER 9 8.591 2.060 -31.821 52 HB2 SER 9 2HB SER 9 11.089 2.493 -31.528 53 HB3 SER 9 3HB SER 9 11.247 0.772 -31.205 54 HG SER 9 HG SER 9 10.349 0.377 -33.269 55 H GLN 10 H GLN 10 9.617 -0.227 -29.343 56 HA GLN 10 HA GLN 10 8.978 -2.591 -30.736 57 HB2 GLN 10 2HB GLN 10 9.479 -1.857 -27.904 58 HB3 GLN 10 3HB GLN 10 8.647 -3.384 -28.199 59 HG2 GLN 10 2HG GLN 10 11.260 -2.635 -29.487 60 HG3 GLN 10 3HG GLN 10 11.133 -3.536 -27.970 61 HE21 GLN 10 1HE2 GLN 10 11.659 -3.901 -31.135 62 HE22 GLN 10 2HE2 GLN 10 11.050 -5.501 -31.368 63 H CYS 11 H CYS 11 7.107 -0.647 -28.418 64 HA CYS 11 HA CYS 11 4.795 -2.304 -28.535 65 HB2 CYS 11 2HB CYS 11 5.316 0.480 -27.509 66 HB3 CYS 11 3HB CYS 11 3.695 -0.213 -27.515 67 H MET 12 H MET 12 6.009 0.287 -30.477 68 HA MET 12 HA MET 12 3.532 1.023 -31.689 69 HB2 MET 12 2HB MET 12 6.422 1.535 -32.333 70 HB3 MET 12 3HB MET 12 5.150 2.004 -33.459 71 HG2 MET 12 2HG MET 12 4.178 3.085 -31.208 72 HG3 MET 12 3HG MET 12 5.900 3.164 -30.854 73 HE1 MET 12 HE1 MET 12 7.088 3.642 -33.943 74 HE2 MET 12 HE2 MET 12 7.301 5.370 -33.693 75 HE3 MET 12 HE3 MET 12 7.635 4.240 -32.375 76 H ARG 13 H ARG 13 6.213 -1.102 -32.620 77 HA ARG 13 HA ARG 13 5.135 -1.802 -35.147 78 HB2 ARG 13 2HB ARG 13 7.164 -3.204 -33.393 79 HB3 ARG 13 3HB ARG 13 6.785 -3.674 -35.051 80 HG2 ARG 13 2HG ARG 13 7.350 -1.032 -35.349 81 HG3 ARG 13 3HG ARG 13 8.435 -1.484 -34.039 82 HD2 ARG 13 2HD ARG 13 9.698 -2.810 -35.363 83 HD3 ARG 13 3HD ARG 13 8.316 -3.371 -36.297 84 HE ARG 13 HE ARG 13 8.694 -0.732 -37.002 85 HH11 ARG 13 1HH1 ARG 13 10.545 -3.673 -37.121 86 HH12 ARG 13 2HH1 ARG 13 11.440 -3.210 -38.518 87 HH21 ARG 13 1HH2 ARG 13 9.880 -0.097 -38.850 88 HH22 ARG 13 2HH2 ARG 13 11.065 -1.171 -39.506 89 H ARG 14 H ARG 14 4.837 -3.147 -31.914 90 HA ARG 14 HA ARG 14 3.534 -5.553 -32.720 91 HB2 ARG 14 2HB ARG 14 4.747 -5.155 -30.524 92 HB3 ARG 14 3HB ARG 14 3.349 -4.222 -30.017 93 HG2 ARG 14 2HG ARG 14 1.943 -6.119 -30.082 94 HG3 ARG 14 3HG ARG 14 3.173 -7.078 -30.914 95 HD2 ARG 14 2HD ARG 14 3.760 -7.825 -28.902 96 HD3 ARG 14 3HD ARG 14 4.451 -6.222 -28.631 97 HE ARG 14 HE ARG 14 1.734 -6.138 -27.990 98 HH11 ARG 14 1HH1 ARG 14 4.675 -7.607 -26.848 99 HH12 ARG 14 2HH1 ARG 14 4.162 -7.666 -25.196 100 HH21 ARG 14 1HH2 ARG 14 1.044 -6.213 -25.817 101 HH22 ARG 14 2HH2 ARG 14 2.087 -6.885 -24.612 102 H HIS 15 H HIS 15 2.489 -2.308 -32.024 103 HA HIS 15 HA HIS 15 -0.309 -3.157 -32.401 104 HB2 HIS 15 2HB HIS 15 0.648 -0.687 -30.939 105 HB3 HIS 15 3HB HIS 15 -1.009 -1.266 -31.057 106 HD1 HIS 15 HD1 HIS 15 -1.063 -3.992 -30.109 107 HD2 HIS 15 HD2 HIS 15 1.637 -1.268 -28.514 108 HE1 HIS 15 HE1 HIS 15 -0.409 -4.935 -27.875 109 H GLU 16 H GLU 16 1.146 -2.800 -34.648 110 HA GLU 16 HA GLU 16 1.225 -0.178 -35.675 111 HB2 GLU 16 2HB GLU 16 2.507 -1.979 -36.694 112 HB3 GLU 16 3HB GLU 16 1.030 -2.831 -37.108 113 HG2 GLU 16 2HG GLU 16 0.412 -1.111 -38.667 114 HG3 GLU 16 3HG GLU 16 1.787 -0.125 -38.184 115 H ASP 17 H ASP 17 -1.336 -2.504 -35.377 116 HA ASP 17 HA ASP 17 -3.082 -1.100 -37.220 117 HB2 ASP 17 2HB ASP 17 -2.989 -3.676 -36.636 118 HB3 ASP 17 3HB ASP 17 -4.068 -3.200 -35.330 119 H GLU 18 H GLU 18 -2.428 -1.203 -33.813 120 HA GLU 18 HA GLU 18 -4.422 0.908 -33.404 121 HB2 GLU 18 2HB GLU 18 -4.755 -1.720 -32.470 122 HB3 GLU 18 3HB GLU 18 -4.264 -0.779 -31.071 123 HG2 GLU 18 2HG GLU 18 -6.121 0.611 -31.187 124 HG3 GLU 18 3HG GLU 18 -6.456 0.174 -32.869 125 HA PRO 19 HA PRO 19 -0.219 1.854 -31.607 126 HB2 PRO 19 2HB PRO 19 -0.013 4.310 -32.770 127 HB3 PRO 19 3HB PRO 19 0.507 2.822 -33.571 128 HG2 PRO 19 2HG PRO 19 -2.030 4.361 -33.907 129 HG3 PRO 19 3HG PRO 19 -1.006 3.627 -35.141 130 HD2 PRO 19 2HD PRO 19 -3.287 2.469 -34.269 131 HD3 PRO 19 3HD PRO 19 -1.880 1.522 -34.795 132 H TRP 20 H TRP 20 -3.374 3.038 -31.452 133 HA TRP 20 HA TRP 20 -2.915 5.324 -29.803 134 HB2 TRP 20 2HB TRP 20 -5.167 4.053 -31.054 135 HB3 TRP 20 3HB TRP 20 -5.529 4.344 -29.355 136 HD1 TRP 20 HD1 TRP 20 -6.526 6.650 -28.896 137 HE1 TRP 20 HE1 TRP 20 -6.515 8.939 -30.064 138 HE3 TRP 20 HE3 TRP 20 -3.406 5.547 -32.785 139 HZ2 TRP 20 HZ2 TRP 20 -5.339 10.123 -32.348 140 HZ3 TRP 20 HZ3 TRP 20 -2.888 7.315 -34.422 141 HH2 TRP 20 HH2 TRP 20 -3.846 9.555 -34.208 142 H ARG 21 H ARG 21 -2.868 1.977 -29.261 143 HA ARG 21 HA ARG 21 -3.361 2.314 -26.385 144 HB2 ARG 21 2HB ARG 21 -3.606 -0.111 -26.292 145 HB3 ARG 21 3HB ARG 21 -4.695 0.588 -27.489 146 HG2 ARG 21 2HG ARG 21 -3.679 -0.446 -29.212 147 HG3 ARG 21 3HG ARG 21 -2.075 -0.298 -28.499 148 HD2 ARG 21 2HD ARG 21 -2.321 -2.531 -28.247 149 HD3 ARG 21 3HD ARG 21 -3.142 -2.030 -26.771 150 HE ARG 21 HE ARG 21 -5.152 -2.095 -28.539 151 HH11 ARG 21 1HH1 ARG 21 -2.654 -4.389 -27.753 152 HH12 ARG 21 2HH1 ARG 21 -3.619 -5.775 -28.141 153 HH21 ARG 21 1HH2 ARG 21 -6.440 -3.909 -29.050 154 HH22 ARG 21 2HH2 ARG 21 -5.772 -5.505 -28.876 155 H VAL 22 H VAL 22 -0.858 2.425 -28.463 156 HA VAL 22 HA VAL 22 1.098 0.716 -27.497 157 HB VAL 22 HB VAL 22 1.295 3.476 -28.674 158 HG11 VAL 22 1HG1 VAL 22 3.420 1.802 -27.466 159 HG12 VAL 22 2HG1 VAL 22 3.789 2.629 -28.980 160 HG13 VAL 22 3HG1 VAL 22 3.279 3.558 -27.562 161 HG21 VAL 22 3HG2 VAL 22 1.542 2.454 -30.669 162 HG22 VAL 22 1HG2 VAL 22 2.477 1.125 -29.990 163 HG23 VAL 22 2HG2 VAL 22 0.712 1.129 -29.859 164 H GLN 23 H GLN 23 -0.058 3.762 -26.202 165 HA GLN 23 HA GLN 23 1.946 4.360 -24.394 166 HB2 GLN 23 2HB GLN 23 -0.408 5.497 -25.001 167 HB3 GLN 23 3HB GLN 23 -0.845 4.753 -23.463 168 HG2 GLN 23 2HG GLN 23 1.673 6.066 -23.181 169 HG3 GLN 23 3HG GLN 23 0.516 7.175 -23.910 170 HE21 GLN 23 1HE2 GLN 23 0.266 8.485 -22.149 171 HE22 GLN 23 2HE2 GLN 23 -0.484 7.970 -20.680 172 H GLU 24 H GLU 24 -1.013 2.485 -23.753 173 HA GLU 24 HA GLU 24 -0.446 1.751 -21.137 174 HB2 GLU 24 2HB GLU 24 -2.593 1.388 -22.495 175 HB3 GLU 24 3HB GLU 24 -1.836 -0.087 -23.083 176 HG2 GLU 24 2HG GLU 24 -1.483 -0.401 -20.429 177 HG3 GLU 24 3HG GLU 24 -2.979 0.535 -20.443 178 H CYS 25 H CYS 25 0.746 0.429 -24.142 179 HA CYS 25 HA CYS 25 1.877 -1.928 -22.988 180 HB2 CYS 25 2HB CYS 25 1.305 -1.983 -25.321 181 HB3 CYS 25 3HB CYS 25 2.296 -0.563 -25.653 182 H VAL 26 H VAL 26 3.160 1.219 -24.018 183 HA VAL 26 HA VAL 26 5.859 0.678 -23.399 184 HB VAL 26 HB VAL 26 4.385 3.311 -23.557 185 HG11 VAL 26 1HG1 VAL 26 6.640 4.303 -23.805 186 HG12 VAL 26 2HG1 VAL 26 6.353 3.617 -22.208 187 HG13 VAL 26 3HG1 VAL 26 7.348 2.742 -23.375 188 HG21 VAL 26 3HG2 VAL 26 6.317 2.207 -25.570 189 HG22 VAL 26 1HG2 VAL 26 4.618 1.756 -25.601 190 HG23 VAL 26 2HG2 VAL 26 5.084 3.450 -25.778 191 H SER 27 H SER 27 3.235 2.114 -21.525 192 HA SER 27 HA SER 27 4.628 3.006 -19.321 193 HB2 SER 27 2HB SER 27 2.082 3.117 -19.885 194 HB3 SER 27 3HB SER 27 1.987 1.624 -18.957 195 HG SER 27 HG SER 27 3.020 4.109 -18.052 196 H GLN 28 H GLN 28 3.569 -0.254 -20.106 197 HA GLN 28 HA GLN 28 4.354 -1.375 -17.583 198 HB2 GLN 28 2HB GLN 28 3.670 -2.642 -20.238 199 HB3 GLN 28 3HB GLN 28 4.045 -3.559 -18.795 200 HG2 GLN 28 2HG GLN 28 2.080 -1.707 -18.055 201 HG3 GLN 28 3HG GLN 28 1.574 -2.380 -19.605 202 HE21 GLN 28 1HE2 GLN 28 -0.042 -3.678 -18.967 203 HE22 GLN 28 2HE2 GLN 28 0.148 -5.019 -17.883 204 H CYS 29 H CYS 29 5.712 -1.554 -20.874 205 HA CYS 29 HA CYS 29 7.975 -3.047 -20.294 206 HB2 CYS 29 2HB CYS 29 7.270 -2.539 -22.577 207 HB3 CYS 29 3HB CYS 29 7.661 -0.838 -22.350 208 H ARG 30 H ARG 30 7.720 0.513 -20.482 209 HA ARG 30 HA ARG 30 10.331 1.057 -19.632 210 HB2 ARG 30 2HB ARG 30 9.077 2.805 -20.662 211 HB3 ARG 30 3HB ARG 30 7.779 2.666 -19.482 212 HG2 ARG 30 2HG ARG 30 9.054 3.695 -17.803 213 HG3 ARG 30 3HG ARG 30 10.559 3.484 -18.698 214 HD2 ARG 30 2HD ARG 30 8.658 4.984 -20.255 215 HD3 ARG 30 3HD ARG 30 8.892 5.728 -18.675 216 HE ARG 30 HE ARG 30 11.391 5.069 -19.799 217 HH11 ARG 30 1HH1 ARG 30 8.749 7.309 -20.171 218 HH12 ARG 30 2HH1 ARG 30 9.744 8.567 -20.837 219 HH21 ARG 30 1HH2 ARG 30 12.699 6.716 -20.679 220 HH22 ARG 30 2HH2 ARG 30 11.995 8.223 -21.123 221 H ARG 31 H ARG 31 7.439 0.284 -17.840 222 HA ARG 31 HA ARG 31 8.274 1.201 -15.311 223 HB2 ARG 31 2HB ARG 31 6.117 -0.490 -16.385 224 HB3 ARG 31 3HB ARG 31 6.623 -0.925 -14.749 225 HG2 ARG 31 2HG ARG 31 5.849 1.868 -15.580 226 HG3 ARG 31 3HG ARG 31 4.725 0.693 -14.880 227 HD2 ARG 31 2HD ARG 31 7.026 0.754 -13.230 228 HD3 ARG 31 3HD ARG 31 6.589 2.431 -13.571 229 HE ARG 31 HE ARG 31 4.238 1.147 -12.894 230 HH11 ARG 31 1HH1 ARG 31 7.316 1.797 -11.384 231 HH12 ARG 31 2HH1 ARG 31 6.665 1.842 -9.780 232 HH21 ARG 31 1HH2 ARG 31 3.374 1.211 -10.783 233 HH22 ARG 31 2HH2 ARG 31 4.422 1.510 -9.437 234 H ARG 32 H ARG 32 10.064 0.553 -14.321 235 HA ARG 32 HA ARG 32 11.749 -0.764 -13.533 236 HB2 ARG 32 2HB ARG 32 9.604 -2.900 -13.550 237 HB3 ARG 32 3HB ARG 32 11.105 -2.936 -12.622 238 HG2 ARG 32 2HG ARG 32 10.142 -0.651 -11.698 239 HG3 ARG 32 3HG ARG 32 8.617 -1.410 -12.152 240 HD2 ARG 32 2HD ARG 32 8.805 -2.211 -10.022 241 HD3 ARG 32 3HD ARG 32 9.690 -3.470 -10.880 242 HE ARG 32 HE ARG 32 11.547 -2.848 -9.735 243 HH11 ARG 32 1HH1 ARG 32 9.336 -0.152 -9.789 244 HH12 ARG 32 2HH1 ARG 32 10.325 0.838 -8.772 245 HH21 ARG 32 1HH2 ARG 32 12.856 -1.539 -8.401 246 HH22 ARG 32 2HH2 ARG 32 12.336 0.055 -7.985 247 H ARG 33 H ARG 33 12.248 -0.438 -16.041 248 HA ARG 33 HA ARG 33 12.248 -2.840 -17.610 249 HB2 ARG 33 2HB ARG 33 13.516 -1.559 -19.232 250 HB3 ARG 33 3HB ARG 33 12.162 -0.601 -18.628 251 HG2 ARG 33 2HG ARG 33 13.580 0.769 -17.345 252 HG3 ARG 33 3HG ARG 33 14.938 -0.350 -17.497 253 HD2 ARG 33 2HD ARG 33 14.350 0.235 -20.105 254 HD3 ARG 33 3HD ARG 33 14.007 1.759 -19.303 255 HE ARG 33 HE ARG 33 16.507 0.711 -18.469 256 HH11 ARG 33 1HH1 ARG 33 14.934 2.343 -21.108 257 HH12 ARG 33 2HH1 ARG 33 16.385 3.104 -21.669 258 HH21 ARG 33 1HH2 ARG 33 18.423 1.703 -19.200 259 HH22 ARG 33 2HH2 ARG 33 18.367 2.736 -20.586 260 H GLY 34 H GLY 34 14.228 -1.600 -15.139 261 HA2 GLY 34 2HA GLY 34 16.752 -2.620 -15.930 262 HA3 GLY 34 3HA GLY 34 16.270 -2.238 -14.288 263 H GLY 35 H GLY 35 14.036 -4.078 -14.226 264 HA2 GLY 35 2HA GLY 35 14.140 -6.614 -14.845 265 HA3 GLY 35 3HA GLY 35 15.578 -6.531 -13.838 266 H GLY 36 H GLY 36 12.128 -5.648 -13.741 267 HA2 GLY 36 2HA GLY 36 12.156 -6.143 -10.845 268 HA3 GLY 36 3HA GLY 36 10.901 -5.282 -11.724 269 H ASP 37 H ASP 37 10.018 -7.069 -9.994 270 HA ASP 37 HA ASP 37 8.957 -9.171 -11.727 271 HB2 ASP 37 2HB ASP 37 10.714 -10.362 -10.644 272 HB3 ASP 37 3HB ASP 37 10.328 -9.647 -9.084 Start of MODEL 15 1 H1 GLY 1 H GLY 1 23.404 -4.899 -35.040 2 HA2 GLY 1 2HA GLY 1 23.267 -5.528 -32.186 3 HA3 GLY 1 3HA GLY 1 22.361 -4.138 -32.758 4 H SER 2 H SER 2 20.545 -4.441 -34.079 5 HA SER 2 HA SER 2 18.651 -5.488 -34.783 6 HB2 SER 2 2HB SER 2 20.232 -8.035 -35.031 7 HB3 SER 2 3HB SER 2 18.858 -7.492 -36.008 8 HG SER 2 HG SER 2 20.311 -5.744 -36.693 9 H GLY 3 H GLY 3 17.958 -5.213 -32.524 10 HA2 GLY 3 2HA GLY 3 16.684 -7.501 -31.527 11 HA3 GLY 3 3HA GLY 3 18.169 -7.290 -30.610 12 H ARG 4 H ARG 4 18.227 -5.825 -28.989 13 HA ARG 4 HA ARG 4 15.773 -4.715 -28.080 14 HB2 ARG 4 2HB ARG 4 18.556 -4.047 -27.111 15 HB3 ARG 4 3HB ARG 4 17.043 -3.849 -26.229 16 HG2 ARG 4 2HG ARG 4 17.138 -6.551 -26.926 17 HG3 ARG 4 3HG ARG 4 18.774 -6.131 -26.400 18 HD2 ARG 4 2HD ARG 4 17.717 -5.071 -24.376 19 HD3 ARG 4 3HD ARG 4 16.193 -5.797 -24.882 20 HE ARG 4 HE ARG 4 18.303 -7.717 -24.708 21 HH11 ARG 4 1HH1 ARG 4 15.967 -5.929 -22.846 22 HH12 ARG 4 2HH1 ARG 4 15.884 -7.100 -21.577 23 HH21 ARG 4 1HH2 ARG 4 18.213 -9.264 -23.028 24 HH22 ARG 4 2HH2 ARG 4 17.175 -8.992 -21.673 25 H GLY 5 H GLY 5 15.006 -2.650 -28.122 26 HA2 GLY 5 2HA GLY 5 16.671 -0.593 -29.413 27 HA3 GLY 5 3HA GLY 5 15.083 -0.940 -30.070 28 H SER 6 H SER 6 13.216 -0.454 -28.801 29 HA SER 6 HA SER 6 13.549 1.042 -26.343 30 HB2 SER 6 2HB SER 6 13.737 3.025 -27.418 31 HB3 SER 6 3HB SER 6 13.129 2.367 -28.931 32 HG SER 6 HG SER 6 11.814 3.981 -27.619 33 H CYS 7 H CYS 7 11.677 1.176 -25.142 34 HA CYS 7 HA CYS 7 9.728 -0.791 -25.536 35 HB2 CYS 7 2HB CYS 7 9.749 1.686 -23.807 36 HB3 CYS 7 3HB CYS 7 8.447 0.506 -23.760 37 H ARG 8 H ARG 8 9.916 2.484 -26.666 38 HA ARG 8 HA ARG 8 7.150 2.786 -27.297 39 HB2 ARG 8 2HB ARG 8 9.233 4.514 -27.104 40 HB3 ARG 8 3HB ARG 8 9.109 4.348 -28.845 41 HG2 ARG 8 2HG ARG 8 6.736 4.983 -28.721 42 HG3 ARG 8 3HG ARG 8 6.915 5.208 -26.977 43 HD2 ARG 8 2HD ARG 8 8.983 6.650 -28.310 44 HD3 ARG 8 3HD ARG 8 7.437 7.059 -29.061 45 HE ARG 8 HE ARG 8 7.302 7.135 -26.213 46 HH11 ARG 8 1HH1 ARG 8 8.324 8.916 -29.016 47 HH12 ARG 8 2HH1 ARG 8 8.169 10.466 -28.256 48 HH21 ARG 8 1HH2 ARG 8 7.095 9.162 -25.194 49 HH22 ARG 8 2HH2 ARG 8 7.472 10.606 -26.078 50 H SER 9 H SER 9 9.973 2.528 -29.465 51 HA SER 9 HA SER 9 8.588 2.067 -31.808 52 HB2 SER 9 2HB SER 9 11.335 1.149 -30.942 53 HB3 SER 9 3HB SER 9 10.725 0.920 -32.581 54 HG SER 9 HG SER 9 11.862 2.832 -32.524 55 H GLN 10 H GLN 10 9.622 -0.227 -29.342 56 HA GLN 10 HA GLN 10 8.976 -2.586 -30.738 57 HB2 GLN 10 2HB GLN 10 9.479 -1.858 -27.904 58 HB3 GLN 10 3HB GLN 10 8.639 -3.378 -28.201 59 HG2 GLN 10 2HG GLN 10 11.259 -2.638 -29.486 60 HG3 GLN 10 3HG GLN 10 11.130 -3.534 -27.978 61 HE21 GLN 10 1HE2 GLN 10 12.460 -4.725 -29.941 62 HE22 GLN 10 2HE2 GLN 10 11.532 -6.000 -30.643 63 H CYS 11 H CYS 11 7.102 -0.658 -28.413 64 HA CYS 11 HA CYS 11 4.795 -2.312 -28.546 65 HB2 CYS 11 2HB CYS 11 5.313 0.473 -27.513 66 HB3 CYS 11 3HB CYS 11 3.689 -0.209 -27.523 67 H MET 12 H MET 12 6.009 0.295 -30.475 68 HA MET 12 HA MET 12 3.532 1.024 -31.686 69 HB2 MET 12 2HB MET 12 6.420 1.528 -32.337 70 HB3 MET 12 3HB MET 12 5.154 2.003 -33.462 71 HG2 MET 12 2HG MET 12 4.197 3.082 -31.194 72 HG3 MET 12 3HG MET 12 5.919 3.152 -30.864 73 HE1 MET 12 HE1 MET 12 7.677 4.756 -32.902 74 HE2 MET 12 HE2 MET 12 6.967 6.230 -32.254 75 HE3 MET 12 HE3 MET 12 7.183 4.818 -31.210 76 H ARG 13 H ARG 13 6.215 -1.093 -32.624 77 HA ARG 13 HA ARG 13 5.136 -1.801 -35.150 78 HB2 ARG 13 2HB ARG 13 7.174 -3.165 -33.394 79 HB3 ARG 13 3HB ARG 13 6.768 -3.703 -35.018 80 HG2 ARG 13 2HG ARG 13 7.368 -1.300 -35.725 81 HG3 ARG 13 3HG ARG 13 8.187 -1.216 -34.157 82 HD2 ARG 13 2HD ARG 13 9.933 -2.040 -35.309 83 HD3 ARG 13 3HD ARG 13 9.109 -3.581 -35.076 84 HE ARG 13 HE ARG 13 8.169 -2.334 -37.429 85 HH11 ARG 13 1HH1 ARG 13 10.943 -4.010 -36.143 86 HH12 ARG 13 2HH1 ARG 13 11.454 -4.605 -37.682 87 HH21 ARG 13 1HH2 ARG 13 8.837 -3.121 -39.459 88 HH22 ARG 13 2HH2 ARG 13 10.260 -4.112 -39.566 89 H ARG 14 H ARG 14 4.842 -3.149 -31.919 90 HA ARG 14 HA ARG 14 3.532 -5.550 -32.718 91 HB2 ARG 14 2HB ARG 14 4.748 -5.152 -30.524 92 HB3 ARG 14 3HB ARG 14 3.345 -4.213 -30.014 93 HG2 ARG 14 2HG ARG 14 1.948 -6.246 -30.427 94 HG3 ARG 14 3HG ARG 14 3.446 -7.141 -30.687 95 HD2 ARG 14 2HD ARG 14 4.007 -5.936 -28.338 96 HD3 ARG 14 3HD ARG 14 2.256 -6.106 -28.189 97 HE ARG 14 HE ARG 14 3.107 -8.563 -28.995 98 HH11 ARG 14 1HH1 ARG 14 3.926 -6.436 -26.372 99 HH12 ARG 14 2HH1 ARG 14 4.344 -7.725 -25.288 100 HH21 ARG 14 1HH2 ARG 14 3.648 -10.272 -27.579 101 HH22 ARG 14 2HH2 ARG 14 4.180 -9.904 -25.974 102 H HIS 15 H HIS 15 2.482 -2.310 -32.018 103 HA HIS 15 HA HIS 15 -0.315 -3.152 -32.405 104 HB2 HIS 15 2HB HIS 15 0.642 -0.684 -30.942 105 HB3 HIS 15 3HB HIS 15 -1.012 -1.270 -31.060 106 HD1 HIS 15 HD1 HIS 15 -1.057 -3.993 -30.109 107 HD2 HIS 15 HD2 HIS 15 1.641 -1.260 -28.517 108 HE1 HIS 15 HE1 HIS 15 -0.406 -4.925 -27.866 109 H GLU 16 H GLU 16 1.140 -2.812 -34.647 110 HA GLU 16 HA GLU 16 1.230 -0.185 -35.682 111 HB2 GLU 16 2HB GLU 16 2.179 -2.549 -36.539 112 HB3 GLU 16 3HB GLU 16 0.748 -2.434 -37.555 113 HG2 GLU 16 2HG GLU 16 2.008 0.078 -37.666 114 HG3 GLU 16 3HG GLU 16 3.271 -1.132 -37.836 115 H ASP 17 H ASP 17 -1.339 -2.502 -35.369 116 HA ASP 17 HA ASP 17 -3.085 -1.108 -37.220 117 HB2 ASP 17 2HB ASP 17 -2.967 -3.697 -36.506 118 HB3 ASP 17 3HB ASP 17 -4.191 -3.149 -35.363 119 H GLU 18 H GLU 18 -2.429 -1.209 -33.807 120 HA GLU 18 HA GLU 18 -4.421 0.910 -33.409 121 HB2 GLU 18 2HB GLU 18 -4.763 -1.720 -32.465 122 HB3 GLU 18 3HB GLU 18 -4.265 -0.781 -31.070 123 HG2 GLU 18 2HG GLU 18 -6.121 0.616 -31.194 124 HG3 GLU 18 3HG GLU 18 -6.458 0.180 -32.862 125 HA PRO 19 HA PRO 19 -0.223 1.856 -31.617 126 HB2 PRO 19 2HB PRO 19 -0.012 4.301 -32.771 127 HB3 PRO 19 3HB PRO 19 0.510 2.811 -33.566 128 HG2 PRO 19 2HG PRO 19 -2.033 4.368 -33.904 129 HG3 PRO 19 3HG PRO 19 -1.002 3.624 -35.146 130 HD2 PRO 19 2HD PRO 19 -3.290 2.464 -34.260 131 HD3 PRO 19 3HD PRO 19 -1.876 1.520 -34.789 132 H TRP 20 H TRP 20 -3.375 3.041 -31.456 133 HA TRP 20 HA TRP 20 -2.910 5.326 -29.802 134 HB2 TRP 20 2HB TRP 20 -5.045 4.461 -31.243 135 HB3 TRP 20 3HB TRP 20 -5.530 3.971 -29.618 136 HD1 TRP 20 HD1 TRP 20 -6.841 5.764 -28.354 137 HE1 TRP 20 HE1 TRP 20 -7.030 8.333 -28.459 138 HE3 TRP 20 HE3 TRP 20 -3.357 6.705 -31.984 139 HZ2 TRP 20 HZ2 TRP 20 -5.874 10.465 -29.883 140 HZ3 TRP 20 HZ3 TRP 20 -2.962 9.037 -32.668 141 HH2 TRP 20 HH2 TRP 20 -4.193 10.870 -31.640 142 H ARG 21 H ARG 21 -2.864 1.981 -29.260 143 HA ARG 21 HA ARG 21 -3.352 2.315 -26.384 144 HB2 ARG 21 2HB ARG 21 -3.610 -0.105 -26.298 145 HB3 ARG 21 3HB ARG 21 -4.697 0.586 -27.489 146 HG2 ARG 21 2HG ARG 21 -3.679 -0.452 -29.214 147 HG3 ARG 21 3HG ARG 21 -2.079 -0.298 -28.496 148 HD2 ARG 21 2HD ARG 21 -2.328 -2.540 -28.245 149 HD3 ARG 21 3HD ARG 21 -3.142 -2.024 -26.767 150 HE ARG 21 HE ARG 21 -5.157 -2.091 -28.537 151 HH11 ARG 21 1HH1 ARG 21 -2.656 -4.385 -27.754 152 HH12 ARG 21 2HH1 ARG 21 -3.634 -5.769 -28.138 153 HH21 ARG 21 1HH2 ARG 21 -6.443 -3.906 -29.049 154 HH22 ARG 21 2HH2 ARG 21 -5.779 -5.492 -28.883 155 H VAL 22 H VAL 22 -0.853 2.420 -28.468 156 HA VAL 22 HA VAL 22 1.103 0.713 -27.503 157 HB VAL 22 HB VAL 22 1.299 3.481 -28.676 158 HG11 VAL 22 1HG1 VAL 22 3.293 3.552 -27.576 159 HG12 VAL 22 2HG1 VAL 22 3.427 1.798 -27.465 160 HG13 VAL 22 3HG1 VAL 22 3.796 2.613 -28.982 161 HG21 VAL 22 3HG2 VAL 22 1.546 2.448 -30.676 162 HG22 VAL 22 1HG2 VAL 22 2.479 1.120 -29.991 163 HG23 VAL 22 2HG2 VAL 22 0.717 1.116 -29.857 164 H GLN 23 H GLN 23 -0.057 3.764 -26.202 165 HA GLN 23 HA GLN 23 1.955 4.356 -24.401 166 HB2 GLN 23 2HB GLN 23 -0.399 5.496 -25.001 167 HB3 GLN 23 3HB GLN 23 -0.834 4.751 -23.467 168 HG2 GLN 23 2HG GLN 23 1.679 6.064 -23.184 169 HG3 GLN 23 3HG GLN 23 0.525 7.180 -23.916 170 HE21 GLN 23 1HE2 GLN 23 -0.420 8.401 -22.459 171 HE22 GLN 23 2HE2 GLN 23 -0.899 7.924 -20.877 172 H GLU 24 H GLU 24 -1.007 2.486 -23.756 173 HA GLU 24 HA GLU 24 -0.440 1.752 -21.142 174 HB2 GLU 24 2HB GLU 24 -2.586 1.391 -22.498 175 HB3 GLU 24 3HB GLU 24 -1.829 -0.085 -23.083 176 HG2 GLU 24 2HG GLU 24 -1.474 -0.397 -20.430 177 HG3 GLU 24 3HG GLU 24 -2.972 0.543 -20.440 178 H CYS 25 H CYS 25 0.754 0.436 -24.144 179 HA CYS 25 HA CYS 25 1.880 -1.933 -22.989 180 HB2 CYS 25 2HB CYS 25 1.310 -1.990 -25.321 181 HB3 CYS 25 3HB CYS 25 2.290 -0.564 -25.652 182 H VAL 26 H VAL 26 3.163 1.212 -24.015 183 HA VAL 26 HA VAL 26 5.862 0.665 -23.400 184 HB VAL 26 HB VAL 26 4.394 3.302 -23.567 185 HG11 VAL 26 1HG1 VAL 26 7.348 2.734 -23.384 186 HG12 VAL 26 2HG1 VAL 26 6.657 4.299 -23.812 187 HG13 VAL 26 3HG1 VAL 26 6.364 3.612 -22.210 188 HG21 VAL 26 3HG2 VAL 26 6.325 2.196 -25.569 189 HG22 VAL 26 1HG2 VAL 26 4.615 1.749 -25.609 190 HG23 VAL 26 2HG2 VAL 26 5.101 3.444 -25.788 191 H SER 27 H SER 27 3.241 2.120 -21.529 192 HA SER 27 HA SER 27 4.636 3.016 -19.322 193 HB2 SER 27 2HB SER 27 1.867 2.196 -19.873 194 HB3 SER 27 3HB SER 27 2.336 2.063 -18.174 195 HG SER 27 HG SER 27 2.366 4.155 -18.037 196 H GLN 28 H GLN 28 3.572 -0.254 -20.101 197 HA GLN 28 HA GLN 28 4.356 -1.366 -17.582 198 HB2 GLN 28 2HB GLN 28 3.670 -2.637 -20.239 199 HB3 GLN 28 3HB GLN 28 4.043 -3.562 -18.788 200 HG2 GLN 28 2HG GLN 28 2.109 -1.826 -17.914 201 HG3 GLN 28 3HG GLN 28 1.590 -2.193 -19.559 202 HE21 GLN 28 1HE2 GLN 28 0.180 -3.777 -19.616 203 HE22 GLN 28 2HE2 GLN 28 0.175 -5.180 -18.602 204 H CYS 29 H CYS 29 5.713 -1.557 -20.870 205 HA CYS 29 HA CYS 29 7.975 -3.051 -20.290 206 HB2 CYS 29 2HB CYS 29 7.267 -2.549 -22.581 207 HB3 CYS 29 3HB CYS 29 7.659 -0.853 -22.338 208 H ARG 30 H ARG 30 7.724 0.499 -20.477 209 HA ARG 30 HA ARG 30 10.336 1.057 -19.629 210 HB2 ARG 30 2HB ARG 30 9.084 2.798 -20.663 211 HB3 ARG 30 3HB ARG 30 7.789 2.662 -19.488 212 HG2 ARG 30 2HG ARG 30 9.068 3.689 -17.803 213 HG3 ARG 30 3HG ARG 30 10.571 3.481 -18.704 214 HD2 ARG 30 2HD ARG 30 8.661 4.979 -20.253 215 HD3 ARG 30 3HD ARG 30 8.892 5.719 -18.676 216 HE ARG 30 HE ARG 30 11.398 5.066 -19.794 217 HH11 ARG 30 1HH1 ARG 30 8.751 7.308 -20.169 218 HH12 ARG 30 2HH1 ARG 30 9.747 8.569 -20.828 219 HH21 ARG 30 1HH2 ARG 30 12.709 6.717 -20.672 220 HH22 ARG 30 2HH2 ARG 30 11.986 8.225 -21.123 221 H ARG 31 H ARG 31 7.392 0.418 -17.825 222 HA ARG 31 HA ARG 31 8.192 1.298 -15.306 223 HB2 ARG 31 2HB ARG 31 6.134 -0.479 -16.382 224 HB3 ARG 31 3HB ARG 31 6.643 -0.903 -14.758 225 HG2 ARG 31 2HG ARG 31 5.714 1.837 -15.597 226 HG3 ARG 31 3HG ARG 31 4.699 0.617 -14.824 227 HD2 ARG 31 2HD ARG 31 6.752 0.659 -13.099 228 HD3 ARG 31 3HD ARG 31 6.826 2.314 -13.683 229 HE ARG 31 HE ARG 31 4.196 1.465 -12.887 230 HH11 ARG 31 1HH1 ARG 31 7.202 2.878 -11.851 231 HH12 ARG 31 2HH1 ARG 31 6.503 3.673 -10.481 232 HH21 ARG 31 1HH2 ARG 31 3.265 2.503 -11.088 233 HH22 ARG 31 2HH2 ARG 31 4.266 3.456 -10.040 234 H ARG 32 H ARG 32 8.922 0.093 -13.454 235 HA ARG 32 HA ARG 32 10.108 -2.508 -13.820 236 HB2 ARG 32 2HB ARG 32 12.406 -1.832 -13.346 237 HB3 ARG 32 3HB ARG 32 11.835 -1.103 -14.837 238 HG2 ARG 32 2HG ARG 32 11.520 1.012 -13.744 239 HG3 ARG 32 3HG ARG 32 11.896 0.312 -12.175 240 HD2 ARG 32 2HD ARG 32 14.006 -0.247 -14.041 241 HD3 ARG 32 3HD ARG 32 13.670 1.484 -14.005 242 HE ARG 32 HE ARG 32 13.791 0.655 -11.373 243 HH11 ARG 32 1HH1 ARG 32 15.913 0.779 -14.123 244 HH12 ARG 32 2HH1 ARG 32 17.346 0.956 -13.172 245 HH21 ARG 32 1HH2 ARG 32 15.678 0.890 -10.110 246 HH22 ARG 32 2HH2 ARG 32 17.221 1.022 -10.889 247 H ARG 33 H ARG 33 8.193 -1.068 -12.070 248 HA ARG 33 HA ARG 33 9.471 -0.901 -9.494 249 HB2 ARG 33 2HB ARG 33 7.210 -0.430 -8.643 250 HB3 ARG 33 3HB ARG 33 7.605 0.585 -10.027 251 HG2 ARG 33 2HG ARG 33 5.801 -0.110 -11.096 252 HG3 ARG 33 3HG ARG 33 6.335 -1.784 -10.971 253 HD2 ARG 33 2HD ARG 33 5.339 -1.925 -8.731 254 HD3 ARG 33 3HD ARG 33 4.797 -0.252 -8.876 255 HE ARG 33 HE ARG 33 3.866 -1.947 -10.993 256 HH11 ARG 33 1HH1 ARG 33 3.251 -0.815 -7.768 257 HH12 ARG 33 2HH1 ARG 33 1.546 -1.122 -7.839 258 HH21 ARG 33 1HH2 ARG 33 1.625 -2.357 -11.110 259 HH22 ARG 33 2HH2 ARG 33 0.626 -2.009 -9.745 260 H GLY 34 H GLY 34 8.106 -3.363 -11.399 261 HA2 GLY 34 2HA GLY 34 7.628 -5.072 -9.042 262 HA3 GLY 34 3HA GLY 34 6.991 -5.364 -10.662 263 H GLY 35 H GLY 35 7.891 -7.555 -10.181 264 HA2 GLY 35 2HA GLY 35 10.038 -8.201 -11.719 265 HA3 GLY 35 3HA GLY 35 10.752 -7.861 -10.143 266 H GLY 36 H GLY 36 7.750 -9.511 -11.154 267 HA2 GLY 36 2HA GLY 36 8.226 -11.584 -9.199 268 HA3 GLY 36 3HA GLY 36 6.814 -11.437 -10.239 269 H ASP 37 H ASP 37 6.798 -13.556 -10.909 270 HA ASP 37 HA ASP 37 9.166 -14.727 -12.104 271 HB2 ASP 37 2HB ASP 37 7.271 -15.886 -10.676 272 HB3 ASP 37 3HB ASP 37 6.497 -16.044 -12.252 Start of MODEL 16 1 H1 GLY 1 H GLY 1 18.067 -15.060 -30.826 2 HA2 GLY 1 2HA GLY 1 19.775 -13.378 -30.740 3 HA3 GLY 1 3HA GLY 1 18.339 -12.570 -31.364 4 H SER 2 H SER 2 19.787 -10.777 -30.400 5 HA SER 2 HA SER 2 18.629 -10.084 -27.822 6 HB2 SER 2 2HB SER 2 21.622 -10.037 -28.260 7 HB3 SER 2 3HB SER 2 20.774 -9.505 -26.811 8 HG SER 2 HG SER 2 20.384 -11.531 -26.253 9 H GLY 3 H GLY 3 17.489 -8.485 -28.961 10 HA2 GLY 3 2HA GLY 3 19.163 -6.335 -30.103 11 HA3 GLY 3 3HA GLY 3 17.504 -6.675 -30.582 12 H ARG 4 H ARG 4 19.232 -4.431 -29.117 13 HA ARG 4 HA ARG 4 17.213 -3.876 -27.054 14 HB2 ARG 4 2HB ARG 4 20.141 -3.379 -27.197 15 HB3 ARG 4 3HB ARG 4 19.152 -2.190 -26.357 16 HG2 ARG 4 2HG ARG 4 18.388 -4.786 -25.485 17 HG3 ARG 4 3HG ARG 4 20.139 -4.652 -25.399 18 HD2 ARG 4 2HD ARG 4 20.082 -2.974 -23.839 19 HD3 ARG 4 3HD ARG 4 18.514 -2.378 -24.382 20 HE ARG 4 HE ARG 4 17.491 -3.830 -22.918 21 HH11 ARG 4 1HH1 ARG 4 20.849 -4.692 -23.249 22 HH12 ARG 4 2HH1 ARG 4 20.812 -5.849 -21.955 23 HH21 ARG 4 1HH2 ARG 4 17.424 -5.337 -21.211 24 HH22 ARG 4 2HH2 ARG 4 18.870 -6.207 -20.801 25 H GLY 5 H GLY 5 15.701 -2.645 -28.034 26 HA2 GLY 5 2HA GLY 5 16.644 -0.309 -29.576 27 HA3 GLY 5 3HA GLY 5 15.103 -1.115 -29.839 28 H SER 6 H SER 6 13.347 -0.430 -28.745 29 HA SER 6 HA SER 6 13.596 1.123 -26.318 30 HB2 SER 6 2HB SER 6 13.730 3.097 -27.431 31 HB3 SER 6 3HB SER 6 13.151 2.392 -28.949 32 HG SER 6 HG SER 6 11.694 3.928 -27.981 33 H CYS 7 H CYS 7 11.683 1.253 -25.161 34 HA CYS 7 HA CYS 7 9.805 -0.796 -25.564 35 HB2 CYS 7 2HB CYS 7 9.769 1.644 -23.793 36 HB3 CYS 7 3HB CYS 7 8.485 0.440 -23.783 37 H ARG 8 H ARG 8 9.926 2.486 -26.664 38 HA ARG 8 HA ARG 8 7.141 2.712 -27.299 39 HB2 ARG 8 2HB ARG 8 9.159 4.507 -27.039 40 HB3 ARG 8 3HB ARG 8 9.070 4.375 -28.796 41 HG2 ARG 8 2HG ARG 8 7.664 6.161 -28.232 42 HG3 ARG 8 3HG ARG 8 6.583 4.808 -28.550 43 HD2 ARG 8 2HD ARG 8 5.657 5.452 -26.588 44 HD3 ARG 8 3HD ARG 8 6.969 4.468 -25.920 45 HE ARG 8 HE ARG 8 8.083 6.917 -26.140 46 HH11 ARG 8 1HH1 ARG 8 5.147 5.753 -24.690 47 HH12 ARG 8 2HH1 ARG 8 5.115 6.969 -23.458 48 HH21 ARG 8 1HH2 ARG 8 8.058 8.530 -24.514 49 HH22 ARG 8 2HH2 ARG 8 6.767 8.544 -23.361 50 H SER 9 H SER 9 9.995 2.596 -29.443 51 HA SER 9 HA SER 9 8.655 2.165 -31.818 52 HB2 SER 9 2HB SER 9 11.014 2.684 -31.822 53 HB3 SER 9 3HB SER 9 11.387 1.192 -30.952 54 HG SER 9 HG SER 9 11.210 0.078 -32.749 55 H GLN 10 H GLN 10 9.597 -0.153 -29.347 56 HA GLN 10 HA GLN 10 9.009 -2.492 -30.836 57 HB2 GLN 10 2HB GLN 10 9.491 -1.848 -27.971 58 HB3 GLN 10 3HB GLN 10 8.704 -3.376 -28.334 59 HG2 GLN 10 2HG GLN 10 11.311 -2.513 -29.571 60 HG3 GLN 10 3HG GLN 10 11.198 -3.464 -28.097 61 HE21 GLN 10 1HE2 GLN 10 12.408 -5.063 -29.269 62 HE22 GLN 10 2HE2 GLN 10 11.594 -6.143 -30.334 63 H CYS 11 H CYS 11 7.155 -0.750 -28.349 64 HA CYS 11 HA CYS 11 4.856 -2.369 -28.520 65 HB2 CYS 11 2HB CYS 11 5.349 0.409 -27.484 66 HB3 CYS 11 3HB CYS 11 3.734 -0.288 -27.499 67 H MET 12 H MET 12 5.971 0.346 -30.389 68 HA MET 12 HA MET 12 3.494 1.012 -31.601 69 HB2 MET 12 2HB MET 12 6.363 1.554 -32.291 70 HB3 MET 12 3HB MET 12 5.075 2.021 -33.380 71 HG2 MET 12 2HG MET 12 4.046 3.304 -31.488 72 HG3 MET 12 3HG MET 12 5.506 2.962 -30.562 73 HE1 MET 12 HE1 MET 12 5.238 5.550 -34.352 74 HE2 MET 12 HE2 MET 12 5.549 3.825 -34.554 75 HE3 MET 12 HE3 MET 12 4.060 4.362 -33.780 76 H ARG 13 H ARG 13 6.230 -1.000 -32.644 77 HA ARG 13 HA ARG 13 5.107 -1.728 -35.136 78 HB2 ARG 13 2HB ARG 13 7.187 -3.102 -33.426 79 HB3 ARG 13 3HB ARG 13 6.792 -3.587 -35.070 80 HG2 ARG 13 2HG ARG 13 7.319 -0.825 -35.152 81 HG3 ARG 13 3HG ARG 13 8.579 -1.550 -34.166 82 HD2 ARG 13 2HD ARG 13 8.967 -3.218 -35.962 83 HD3 ARG 13 3HD ARG 13 7.791 -2.362 -36.959 84 HE ARG 13 HE ARG 13 10.505 -1.570 -36.413 85 HH11 ARG 13 1HH1 ARG 13 7.333 -0.486 -37.353 86 HH12 ARG 13 2HH1 ARG 13 7.914 0.940 -38.154 87 HH21 ARG 13 1HH2 ARG 13 11.282 0.289 -37.466 88 HH22 ARG 13 2HH2 ARG 13 10.165 1.379 -38.219 89 H ARG 14 H ARG 14 4.885 -3.108 -31.917 90 HA ARG 14 HA ARG 14 3.602 -5.528 -32.724 91 HB2 ARG 14 2HB ARG 14 4.861 -5.139 -30.556 92 HB3 ARG 14 3HB ARG 14 3.457 -4.235 -30.007 93 HG2 ARG 14 2HG ARG 14 2.118 -6.115 -29.880 94 HG3 ARG 14 3HG ARG 14 3.124 -7.028 -31.009 95 HD2 ARG 14 2HD ARG 14 4.768 -7.437 -29.384 96 HD3 ARG 14 3HD ARG 14 4.166 -6.146 -28.339 97 HE ARG 14 HE ARG 14 3.207 -8.861 -28.483 98 HH11 ARG 14 1HH1 ARG 14 2.454 -5.580 -27.577 99 HH12 ARG 14 2HH1 ARG 14 1.225 -6.045 -26.448 100 HH21 ARG 14 1HH2 ARG 14 1.603 -9.475 -26.988 101 HH22 ARG 14 2HH2 ARG 14 0.743 -8.259 -26.105 102 H HIS 15 H HIS 15 2.535 -2.303 -32.053 103 HA HIS 15 HA HIS 15 -0.265 -3.192 -32.338 104 HB2 HIS 15 2HB HIS 15 0.733 -0.717 -30.902 105 HB3 HIS 15 3HB HIS 15 -0.944 -1.260 -31.023 106 HD1 HIS 15 HD1 HIS 15 -1.071 -3.976 -30.070 107 HD2 HIS 15 HD2 HIS 15 1.710 -1.327 -28.479 108 HE1 HIS 15 HE1 HIS 15 -0.441 -4.931 -27.827 109 H GLU 16 H GLU 16 1.106 -2.869 -34.631 110 HA GLU 16 HA GLU 16 1.128 -0.249 -35.693 111 HB2 GLU 16 2HB GLU 16 2.175 -2.517 -36.548 112 HB3 GLU 16 3HB GLU 16 0.676 -2.615 -37.457 113 HG2 GLU 16 2HG GLU 16 1.324 -1.074 -38.922 114 HG3 GLU 16 3HG GLU 16 1.949 -0.014 -37.663 115 H ASP 17 H ASP 17 -1.389 -2.588 -35.259 116 HA ASP 17 HA ASP 17 -3.211 -1.327 -37.122 117 HB2 ASP 17 2HB ASP 17 -3.258 -3.784 -36.663 118 HB3 ASP 17 3HB ASP 17 -3.792 -3.433 -35.022 119 H GLU 18 H GLU 18 -2.514 -1.221 -33.700 120 HA GLU 18 HA GLU 18 -4.411 0.983 -33.422 121 HB2 GLU 18 2HB GLU 18 -4.184 -1.138 -31.299 122 HB3 GLU 18 3HB GLU 18 -5.368 0.140 -31.418 123 HG2 GLU 18 2HG GLU 18 -6.217 -0.954 -33.507 124 HG3 GLU 18 3HG GLU 18 -5.154 -2.308 -33.135 125 HA PRO 19 HA PRO 19 -0.220 1.926 -31.682 126 HB2 PRO 19 2HB PRO 19 -0.031 4.373 -32.847 127 HB3 PRO 19 3HB PRO 19 0.459 2.884 -33.658 128 HG2 PRO 19 2HG PRO 19 -2.084 4.442 -33.935 129 HG3 PRO 19 3HG PRO 19 -1.090 3.696 -35.197 130 HD2 PRO 19 2HD PRO 19 -3.349 2.545 -34.256 131 HD3 PRO 19 3HD PRO 19 -1.959 1.590 -34.819 132 H TRP 20 H TRP 20 -3.363 3.147 -31.477 133 HA TRP 20 HA TRP 20 -2.831 5.413 -29.799 134 HB2 TRP 20 2HB TRP 20 -5.060 4.381 -31.164 135 HB3 TRP 20 3HB TRP 20 -5.486 4.325 -29.450 136 HD1 TRP 20 HD1 TRP 20 -6.873 6.409 -28.903 137 HE1 TRP 20 HE1 TRP 20 -6.751 8.912 -29.473 138 HE3 TRP 20 HE3 TRP 20 -2.837 6.324 -32.048 139 HZ2 TRP 20 HZ2 TRP 20 -5.153 10.630 -31.042 140 HZ3 TRP 20 HZ3 TRP 20 -2.077 8.451 -33.036 141 HH2 TRP 20 HH2 TRP 20 -3.205 10.550 -32.551 142 H ARG 21 H ARG 21 -2.865 2.068 -29.301 143 HA ARG 21 HA ARG 21 -3.348 2.369 -26.419 144 HB2 ARG 21 2HB ARG 21 -3.679 -0.034 -26.352 145 HB3 ARG 21 3HB ARG 21 -4.708 0.681 -27.583 146 HG2 ARG 21 2HG ARG 21 -3.691 -0.413 -29.264 147 HG3 ARG 21 3HG ARG 21 -2.082 -0.236 -28.539 148 HD2 ARG 21 2HD ARG 21 -2.300 -2.465 -28.221 149 HD3 ARG 21 3HD ARG 21 -3.171 -1.947 -26.784 150 HE ARG 21 HE ARG 21 -5.132 -2.077 -28.614 151 HH11 ARG 21 1HH1 ARG 21 -2.607 -4.311 -27.704 152 HH12 ARG 21 2HH1 ARG 21 -3.534 -5.724 -28.094 153 HH21 ARG 21 1HH2 ARG 21 -6.362 -3.937 -29.130 154 HH22 ARG 21 2HH2 ARG 21 -5.666 -5.510 -28.910 155 H VAL 22 H VAL 22 -0.847 2.449 -28.508 156 HA VAL 22 HA VAL 22 1.084 0.698 -27.550 157 HB VAL 22 HB VAL 22 1.335 3.466 -28.700 158 HG11 VAL 22 1HG1 VAL 22 3.809 2.595 -29.018 159 HG12 VAL 22 2HG1 VAL 22 3.317 3.469 -27.561 160 HG13 VAL 22 3HG1 VAL 22 3.431 1.709 -27.547 161 HG21 VAL 22 3HG2 VAL 22 0.613 1.291 -29.988 162 HG22 VAL 22 1HG2 VAL 22 1.741 2.433 -30.713 163 HG23 VAL 22 2HG2 VAL 22 2.350 0.956 -29.958 164 H GLN 23 H GLN 23 -0.013 3.771 -26.244 165 HA GLN 23 HA GLN 23 2.009 4.313 -24.425 166 HB2 GLN 23 2HB GLN 23 -0.320 5.507 -25.032 167 HB3 GLN 23 3HB GLN 23 -0.780 4.770 -23.505 168 HG2 GLN 23 2HG GLN 23 1.765 6.020 -23.200 169 HG3 GLN 23 3HG GLN 23 0.638 7.158 -23.932 170 HE21 GLN 23 1HE2 GLN 23 -1.554 7.200 -22.847 171 HE22 GLN 23 2HE2 GLN 23 -1.568 7.182 -21.118 172 H GLU 24 H GLU 24 -0.983 2.454 -23.835 173 HA GLU 24 HA GLU 24 -0.469 1.723 -21.215 174 HB2 GLU 24 2HB GLU 24 -2.586 1.360 -22.617 175 HB3 GLU 24 3HB GLU 24 -1.816 -0.116 -23.191 176 HG2 GLU 24 2HG GLU 24 -1.529 -0.408 -20.520 177 HG3 GLU 24 3HG GLU 24 -3.044 0.495 -20.598 178 H CYS 25 H CYS 25 0.767 0.382 -24.195 179 HA CYS 25 HA CYS 25 1.884 -1.965 -23.005 180 HB2 CYS 25 2HB CYS 25 1.342 -2.047 -25.349 181 HB3 CYS 25 3HB CYS 25 2.334 -0.631 -25.677 182 H VAL 26 H VAL 26 3.179 1.168 -24.044 183 HA VAL 26 HA VAL 26 5.870 0.635 -23.400 184 HB VAL 26 HB VAL 26 4.396 3.268 -23.590 185 HG11 VAL 26 1HG1 VAL 26 6.285 3.736 -22.275 186 HG12 VAL 26 2HG1 VAL 26 7.309 2.652 -23.200 187 HG13 VAL 26 3HG1 VAL 26 6.757 4.168 -23.913 188 HG21 VAL 26 3HG2 VAL 26 6.349 2.120 -25.562 189 HG22 VAL 26 1HG2 VAL 26 4.622 1.729 -25.622 190 HG23 VAL 26 2HG2 VAL 26 5.154 3.398 -25.795 191 H SER 27 H SER 27 3.217 2.087 -21.557 192 HA SER 27 HA SER 27 4.591 2.996 -19.340 193 HB2 SER 27 2HB SER 27 2.105 3.236 -19.847 194 HB3 SER 27 3HB SER 27 1.902 1.620 -19.171 195 HG SER 27 HG SER 27 3.108 2.613 -17.296 196 H GLN 28 H GLN 28 3.543 -0.280 -20.116 197 HA GLN 28 HA GLN 28 4.311 -1.380 -17.586 198 HB2 GLN 28 2HB GLN 28 3.713 -2.711 -20.237 199 HB3 GLN 28 3HB GLN 28 3.969 -3.574 -18.721 200 HG2 GLN 28 2HG GLN 28 2.009 -1.663 -18.166 201 HG3 GLN 28 3HG GLN 28 1.583 -2.351 -19.739 202 HE21 GLN 28 1HE2 GLN 28 -0.105 -3.587 -19.182 203 HE22 GLN 28 2HE2 GLN 28 -0.031 -4.909 -18.071 204 H CYS 29 H CYS 29 5.699 -1.579 -20.862 205 HA CYS 29 HA CYS 29 7.951 -3.066 -20.255 206 HB2 CYS 29 2HB CYS 29 7.278 -2.569 -22.550 207 HB3 CYS 29 3HB CYS 29 7.650 -0.870 -22.308 208 H ARG 30 H ARG 30 7.699 0.495 -20.447 209 HA ARG 30 HA ARG 30 10.308 1.025 -19.564 210 HB2 ARG 30 2HB ARG 30 9.097 2.770 -20.654 211 HB3 ARG 30 3HB ARG 30 7.774 2.665 -19.516 212 HG2 ARG 30 2HG ARG 30 9.030 3.695 -17.804 213 HG3 ARG 30 3HG ARG 30 10.538 3.477 -18.680 214 HD2 ARG 30 2HD ARG 30 8.640 4.968 -20.264 215 HD3 ARG 30 3HD ARG 30 8.885 5.725 -18.685 216 HE ARG 30 HE ARG 30 10.767 5.572 -20.844 217 HH11 ARG 30 1HH1 ARG 30 10.404 5.866 -17.393 218 HH12 ARG 30 2HH1 ARG 30 11.934 6.649 -17.168 219 HH21 ARG 30 1HH2 ARG 30 12.784 6.597 -20.567 220 HH22 ARG 30 2HH2 ARG 30 13.288 7.061 -18.977 221 H ARG 31 H ARG 31 7.309 1.585 -17.706 222 HA ARG 31 HA ARG 31 8.684 1.701 -15.223 223 HB2 ARG 31 2HB ARG 31 5.740 1.148 -15.562 224 HB3 ARG 31 3HB ARG 31 6.547 1.948 -14.216 225 HG2 ARG 31 2HG ARG 31 7.192 3.488 -16.447 226 HG3 ARG 31 3HG ARG 31 5.482 3.073 -16.644 227 HD2 ARG 31 2HD ARG 31 5.147 4.853 -15.321 228 HD3 ARG 31 3HD ARG 31 5.531 3.719 -14.029 229 HE ARG 31 HE ARG 31 7.909 4.873 -14.976 230 HH11 ARG 31 1HH1 ARG 31 5.052 5.699 -13.166 231 HH12 ARG 31 2HH1 ARG 31 5.826 6.941 -12.255 232 HH21 ARG 31 1HH2 ARG 31 8.942 6.514 -13.773 233 HH22 ARG 31 2HH2 ARG 31 8.049 7.408 -12.595 234 H ARG 32 H ARG 32 7.275 0.215 -13.433 235 HA ARG 32 HA ARG 32 6.965 -2.508 -14.148 236 HB2 ARG 32 2HB ARG 32 8.956 -3.312 -12.760 237 HB3 ARG 32 3HB ARG 32 9.298 -2.696 -14.364 238 HG2 ARG 32 2HG ARG 32 9.930 -0.528 -13.361 239 HG3 ARG 32 3HG ARG 32 9.669 -1.234 -11.763 240 HD2 ARG 32 2HD ARG 32 11.321 -3.065 -12.718 241 HD3 ARG 32 3HD ARG 32 11.831 -1.719 -13.738 242 HE ARG 32 HE ARG 32 12.420 -2.087 -10.986 243 HH11 ARG 32 1HH1 ARG 32 11.710 0.359 -13.357 244 HH12 ARG 32 2HH1 ARG 32 12.572 1.606 -12.519 245 HH21 ARG 32 1HH2 ARG 32 13.552 -0.448 -9.872 246 HH22 ARG 32 2HH2 ARG 32 13.620 1.151 -10.532 247 H ARG 33 H ARG 33 5.069 -1.687 -12.932 248 HA ARG 33 HA ARG 33 5.465 -1.489 -10.043 249 HB2 ARG 33 2HB ARG 33 3.109 -0.823 -9.962 250 HB3 ARG 33 3HB ARG 33 4.001 0.160 -11.119 251 HG2 ARG 33 2HG ARG 33 3.058 -1.030 -12.959 252 HG3 ARG 33 3HG ARG 33 2.339 -2.228 -11.887 253 HD2 ARG 33 2HD ARG 33 0.699 -0.769 -11.155 254 HD3 ARG 33 3HD ARG 33 1.646 0.662 -11.562 255 HE ARG 33 HE ARG 33 1.103 -0.579 -13.956 256 HH11 ARG 33 1HH1 ARG 33 -0.758 0.758 -11.340 257 HH12 ARG 33 2HH1 ARG 33 -2.087 1.208 -12.340 258 HH21 ARG 33 1HH2 ARG 33 -0.646 0.006 -15.287 259 HH22 ARG 33 2HH2 ARG 33 -2.031 0.776 -14.590 260 H GLY 34 H GLY 34 6.025 -3.999 -11.124 261 HA2 GLY 34 2HA GLY 34 4.399 -5.656 -9.476 262 HA3 GLY 34 3HA GLY 34 3.959 -5.856 -11.164 263 H GLY 35 H GLY 35 5.193 -7.129 -12.459 264 HA2 GLY 35 2HA GLY 35 7.923 -7.707 -11.987 265 HA3 GLY 35 3HA GLY 35 6.922 -9.007 -11.353 266 H GLY 36 H GLY 36 4.880 -9.006 -13.276 267 HA2 GLY 36 2HA GLY 36 6.301 -9.533 -15.798 268 HA3 GLY 36 3HA GLY 36 5.323 -10.808 -15.073 269 H ASP 37 H ASP 37 3.645 -11.020 -16.424 270 HA ASP 37 HA ASP 37 1.838 -10.508 -17.730 271 HB2 ASP 37 2HB ASP 37 0.468 -10.116 -15.966 272 HB3 ASP 37 3HB ASP 37 1.580 -8.972 -15.221 Start of MODEL 17 1 H1 GLY 1 H GLY 1 21.038 -2.380 -21.710 2 HA2 GLY 1 2HA GLY 1 22.886 -3.678 -22.516 3 HA3 GLY 1 3HA GLY 1 21.738 -4.892 -23.073 4 H SER 2 H SER 2 23.913 -3.450 -24.484 5 HA SER 2 HA SER 2 23.016 -1.490 -26.215 6 HB2 SER 2 2HB SER 2 24.808 -2.181 -27.722 7 HB3 SER 2 3HB SER 2 25.371 -2.231 -26.051 8 HG SER 2 HG SER 2 25.278 -4.412 -26.069 9 H GLY 3 H GLY 3 22.123 -1.485 -28.287 10 HA2 GLY 3 2HA GLY 3 21.500 -3.292 -30.102 11 HA3 GLY 3 3HA GLY 3 20.393 -3.785 -28.824 12 H ARG 4 H ARG 4 18.943 -3.295 -30.774 13 HA ARG 4 HA ARG 4 17.991 -0.524 -30.483 14 HB2 ARG 4 2HB ARG 4 18.801 -1.944 -32.941 15 HB3 ARG 4 3HB ARG 4 17.250 -1.114 -33.039 16 HG2 ARG 4 2HG ARG 4 18.190 0.941 -32.916 17 HG3 ARG 4 3HG ARG 4 19.511 0.401 -31.885 18 HD2 ARG 4 2HD ARG 4 19.344 -0.506 -34.736 19 HD3 ARG 4 3HD ARG 4 19.985 1.090 -34.354 20 HE ARG 4 HE ARG 4 21.276 -1.429 -33.945 21 HH11 ARG 4 1HH1 ARG 4 21.032 1.837 -32.784 22 HH12 ARG 4 2HH1 ARG 4 22.627 1.852 -32.097 23 HH21 ARG 4 1HH2 ARG 4 23.379 -1.426 -33.056 24 HH22 ARG 4 2HH2 ARG 4 23.962 -0.004 -32.250 25 H GLY 5 H GLY 5 15.974 -0.483 -29.770 26 HA2 GLY 5 2HA GLY 5 13.716 -1.553 -30.762 27 HA3 GLY 5 3HA GLY 5 14.362 -2.903 -29.845 28 H SER 6 H SER 6 14.004 0.611 -29.320 29 HA SER 6 HA SER 6 13.676 0.448 -26.551 30 HB2 SER 6 2HB SER 6 13.460 2.711 -26.639 31 HB3 SER 6 3HB SER 6 13.919 2.494 -28.328 32 HG SER 6 HG SER 6 11.904 3.728 -27.790 33 H CYS 7 H CYS 7 11.775 0.776 -25.248 34 HA CYS 7 HA CYS 7 9.719 -1.007 -25.729 35 HB2 CYS 7 2HB CYS 7 9.723 1.469 -23.992 36 HB3 CYS 7 3HB CYS 7 8.486 0.227 -23.936 37 H ARG 8 H ARG 8 9.962 2.404 -26.572 38 HA ARG 8 HA ARG 8 7.276 2.807 -27.311 39 HB2 ARG 8 2HB ARG 8 9.439 4.420 -27.071 40 HB3 ARG 8 3HB ARG 8 9.350 4.282 -28.827 41 HG2 ARG 8 2HG ARG 8 6.964 4.993 -28.691 42 HG3 ARG 8 3HG ARG 8 7.206 5.290 -26.973 43 HD2 ARG 8 2HD ARG 8 7.736 7.362 -27.637 44 HD3 ARG 8 3HD ARG 8 9.298 6.642 -28.015 45 HE ARG 8 HE ARG 8 7.775 6.288 -30.272 46 HH11 ARG 8 1HH1 ARG 8 8.819 8.999 -28.360 47 HH12 ARG 8 2HH1 ARG 8 8.849 10.099 -29.703 48 HH21 ARG 8 1HH2 ARG 8 7.806 7.718 -32.040 49 HH22 ARG 8 2HH2 ARG 8 8.266 9.375 -31.789 50 H SER 9 H SER 9 10.094 2.439 -29.479 51 HA SER 9 HA SER 9 8.646 2.061 -31.820 52 HB2 SER 9 2HB SER 9 10.980 2.541 -31.980 53 HB3 SER 9 3HB SER 9 11.399 1.118 -31.028 54 HG SER 9 HG SER 9 10.863 -0.179 -32.723 55 H GLN 10 H GLN 10 9.651 -0.250 -29.378 56 HA GLN 10 HA GLN 10 8.987 -2.593 -30.815 57 HB2 GLN 10 2HB GLN 10 9.565 -1.931 -27.970 58 HB3 GLN 10 3HB GLN 10 8.742 -3.444 -28.302 59 HG2 GLN 10 2HG GLN 10 11.319 -2.643 -29.627 60 HG3 GLN 10 3HG GLN 10 11.239 -3.575 -28.125 61 HE21 GLN 10 1HE2 GLN 10 12.302 -4.285 -30.769 62 HE22 GLN 10 2HE2 GLN 10 11.460 -5.719 -31.247 63 H CYS 11 H CYS 11 7.194 -0.621 -28.488 64 HA CYS 11 HA CYS 11 4.865 -2.279 -28.514 65 HB2 CYS 11 2HB CYS 11 5.449 0.511 -27.524 66 HB3 CYS 11 3HB CYS 11 3.808 -0.143 -27.497 67 H MET 12 H MET 12 5.975 0.450 -30.399 68 HA MET 12 HA MET 12 3.482 1.096 -31.585 69 HB2 MET 12 2HB MET 12 6.345 1.676 -32.299 70 HB3 MET 12 3HB MET 12 5.019 2.157 -33.362 71 HG2 MET 12 2HG MET 12 4.098 3.182 -31.089 72 HG3 MET 12 3HG MET 12 5.823 3.220 -30.727 73 HE1 MET 12 HE1 MET 12 7.167 3.822 -33.611 74 HE2 MET 12 HE2 MET 12 7.282 5.571 -33.394 75 HE3 MET 12 HE3 MET 12 7.576 4.492 -32.031 76 H ARG 13 H ARG 13 6.216 -0.922 -32.615 77 HA ARG 13 HA ARG 13 5.105 -1.632 -35.123 78 HB2 ARG 13 2HB ARG 13 7.195 -2.999 -33.426 79 HB3 ARG 13 3HB ARG 13 6.811 -3.468 -35.077 80 HG2 ARG 13 2HG ARG 13 7.352 -0.656 -34.966 81 HG3 ARG 13 3HG ARG 13 8.671 -1.554 -34.222 82 HD2 ARG 13 2HD ARG 13 8.806 -2.965 -36.235 83 HD3 ARG 13 3HD ARG 13 7.512 -2.019 -36.968 84 HE ARG 13 HE ARG 13 9.623 -0.326 -36.172 85 HH11 ARG 13 1HH1 ARG 13 8.788 -2.702 -38.577 86 HH12 ARG 13 2HH1 ARG 13 9.851 -2.048 -39.775 87 HH21 ARG 13 1HH2 ARG 13 11.021 0.547 -37.753 88 HH22 ARG 13 2HH2 ARG 13 11.119 -0.197 -39.313 89 H ARG 14 H ARG 14 4.902 -3.030 -31.905 90 HA ARG 14 HA ARG 14 3.652 -5.459 -32.725 91 HB2 ARG 14 2HB ARG 14 4.895 -5.057 -30.546 92 HB3 ARG 14 3HB ARG 14 3.484 -4.167 -29.995 93 HG2 ARG 14 2HG ARG 14 2.110 -6.122 -30.138 94 HG3 ARG 14 3HG ARG 14 3.420 -7.035 -30.897 95 HD2 ARG 14 2HD ARG 14 4.625 -6.172 -28.625 96 HD3 ARG 14 3HD ARG 14 2.954 -6.354 -28.075 97 HE ARG 14 HE ARG 14 3.972 -8.618 -29.537 98 HH11 ARG 14 1HH1 ARG 14 3.657 -7.119 -26.412 99 HH12 ARG 14 2HH1 ARG 14 3.828 -8.598 -25.534 100 HH21 ARG 14 1HH2 ARG 14 4.194 -10.575 -28.393 101 HH22 ARG 14 2HH2 ARG 14 4.130 -10.574 -26.668 102 H HIS 15 H HIS 15 2.531 -2.248 -32.057 103 HA HIS 15 HA HIS 15 -0.249 -3.174 -32.333 104 HB2 HIS 15 2HB HIS 15 0.708 -0.674 -30.929 105 HB3 HIS 15 3HB HIS 15 -0.960 -1.240 -31.037 106 HD1 HIS 15 HD1 HIS 15 -1.039 -3.948 -30.058 107 HD2 HIS 15 HD2 HIS 15 1.708 -1.257 -28.497 108 HE1 HIS 15 HE1 HIS 15 -0.387 -4.874 -27.810 109 H GLU 16 H GLU 16 1.105 -2.849 -34.629 110 HA GLU 16 HA GLU 16 1.112 -0.241 -35.711 111 HB2 GLU 16 2HB GLU 16 2.410 -2.015 -36.730 112 HB3 GLU 16 3HB GLU 16 0.954 -2.920 -37.081 113 HG2 GLU 16 2HG GLU 16 1.100 -0.193 -38.182 114 HG3 GLU 16 3HG GLU 16 2.198 -1.392 -38.877 115 H ASP 17 H ASP 17 -1.389 -2.598 -35.262 116 HA ASP 17 HA ASP 17 -3.215 -1.357 -37.124 117 HB2 ASP 17 2HB ASP 17 -3.038 -3.884 -36.175 118 HB3 ASP 17 3HB ASP 17 -4.257 -3.234 -35.081 119 H GLU 18 H GLU 18 -2.510 -1.233 -33.717 120 HA GLU 18 HA GLU 18 -4.434 0.959 -33.439 121 HB2 GLU 18 2HB GLU 18 -4.189 -1.173 -31.312 122 HB3 GLU 18 3HB GLU 18 -5.392 0.111 -31.441 123 HG2 GLU 18 2HG GLU 18 -5.147 -2.188 -33.359 124 HG3 GLU 18 3HG GLU 18 -6.274 -2.120 -32.004 125 HA PRO 19 HA PRO 19 -0.248 1.932 -31.687 126 HB2 PRO 19 2HB PRO 19 -0.077 4.378 -32.842 127 HB3 PRO 19 3HB PRO 19 0.429 2.893 -33.659 128 HG2 PRO 19 2HG PRO 19 -2.124 4.430 -33.940 129 HG3 PRO 19 3HG PRO 19 -1.120 3.685 -35.201 130 HD2 PRO 19 2HD PRO 19 -3.381 2.522 -34.265 131 HD3 PRO 19 3HD PRO 19 -1.975 1.582 -34.828 132 H TRP 20 H TRP 20 -3.403 3.127 -31.481 133 HA TRP 20 HA TRP 20 -2.887 5.391 -29.802 134 HB2 TRP 20 2HB TRP 20 -4.939 5.165 -31.193 135 HB3 TRP 20 3HB TRP 20 -5.462 3.839 -30.165 136 HD1 TRP 20 HD1 TRP 20 -6.886 4.465 -28.113 137 HE1 TRP 20 HE1 TRP 20 -7.510 6.667 -26.937 138 HE3 TRP 20 HE3 TRP 20 -3.835 7.670 -30.685 139 HZ2 TRP 20 HZ2 TRP 20 -6.804 9.395 -27.076 140 HZ3 TRP 20 HZ3 TRP 20 -3.873 10.059 -30.103 141 HH2 TRP 20 HH2 TRP 20 -5.331 10.901 -28.330 142 H ARG 21 H ARG 21 -2.898 2.046 -29.315 143 HA ARG 21 HA ARG 21 -3.394 2.345 -26.429 144 HB2 ARG 21 2HB ARG 21 -3.714 -0.061 -26.369 145 HB3 ARG 21 3HB ARG 21 -4.747 0.643 -27.603 146 HG2 ARG 21 2HG ARG 21 -3.717 -0.438 -29.271 147 HG3 ARG 21 3HG ARG 21 -2.117 -0.254 -28.547 148 HD2 ARG 21 2HD ARG 21 -2.312 -2.481 -28.233 149 HD3 ARG 21 3HD ARG 21 -3.197 -1.966 -26.796 150 HE ARG 21 HE ARG 21 -5.148 -2.111 -28.628 151 HH11 ARG 21 1HH1 ARG 21 -2.617 -4.326 -27.716 152 HH12 ARG 21 2HH1 ARG 21 -3.535 -5.747 -28.111 153 HH21 ARG 21 1HH2 ARG 21 -6.369 -3.973 -29.152 154 HH22 ARG 21 2HH2 ARG 21 -5.668 -5.540 -28.928 155 H VAL 22 H VAL 22 -0.894 2.452 -28.505 156 HA VAL 22 HA VAL 22 1.044 0.698 -27.552 157 HB VAL 22 HB VAL 22 1.284 3.480 -28.693 158 HG11 VAL 22 1HG1 VAL 22 3.287 3.545 -27.658 159 HG12 VAL 22 2HG1 VAL 22 3.351 1.801 -27.431 160 HG13 VAL 22 3HG1 VAL 22 3.770 2.496 -28.996 161 HG21 VAL 22 3HG2 VAL 22 2.322 0.994 -29.956 162 HG22 VAL 22 1HG2 VAL 22 0.589 1.304 -29.982 163 HG23 VAL 22 2HG2 VAL 22 1.693 2.467 -30.708 164 H GLN 23 H GLN 23 -0.084 3.751 -26.229 165 HA GLN 23 HA GLN 23 1.921 4.315 -24.410 166 HB2 GLN 23 2HB GLN 23 -0.425 5.465 -24.996 167 HB3 GLN 23 3HB GLN 23 -0.863 4.693 -23.474 168 HG2 GLN 23 2HG GLN 23 1.649 5.991 -23.151 169 HG3 GLN 23 3HG GLN 23 0.510 7.125 -23.880 170 HE21 GLN 23 1HE2 GLN 23 1.695 7.078 -21.199 171 HE22 GLN 23 2HE2 GLN 23 0.361 7.074 -20.101 172 H GLU 24 H GLU 24 -1.011 2.371 -23.837 173 HA GLU 24 HA GLU 24 -0.490 1.630 -21.225 174 HB2 GLU 24 2HB GLU 24 -2.588 1.218 -22.643 175 HB3 GLU 24 3HB GLU 24 -1.777 -0.223 -23.219 176 HG2 GLU 24 2HG GLU 24 -1.489 -0.534 -20.549 177 HG3 GLU 24 3HG GLU 24 -3.027 0.325 -20.626 178 H CYS 25 H CYS 25 0.793 0.354 -24.213 179 HA CYS 25 HA CYS 25 1.969 -1.977 -23.040 180 HB2 CYS 25 2HB CYS 25 1.442 -2.032 -25.378 181 HB3 CYS 25 3HB CYS 25 2.404 -0.594 -25.685 182 H VAL 26 H VAL 26 3.182 1.207 -24.037 183 HA VAL 26 HA VAL 26 5.890 0.746 -23.381 184 HB VAL 26 HB VAL 26 4.341 3.328 -23.578 185 HG11 VAL 26 1HG1 VAL 26 7.307 2.871 -23.282 186 HG12 VAL 26 2HG1 VAL 26 6.573 4.401 -23.757 187 HG13 VAL 26 3HG1 VAL 26 6.236 3.718 -22.164 188 HG21 VAL 26 3HG2 VAL 26 4.539 1.974 -25.651 189 HG22 VAL 26 1HG2 VAL 26 5.359 3.536 -25.748 190 HG23 VAL 26 2HG2 VAL 26 6.290 2.059 -25.498 191 H SER 27 H SER 27 3.180 2.074 -21.542 192 HA SER 27 HA SER 27 4.502 3.029 -19.311 193 HB2 SER 27 2HB SER 27 1.800 1.682 -19.519 194 HB3 SER 27 3HB SER 27 2.368 2.515 -18.068 195 HG SER 27 HG SER 27 1.144 3.592 -20.109 196 H GLN 28 H GLN 28 3.591 -0.273 -20.123 197 HA GLN 28 HA GLN 28 4.360 -1.372 -17.596 198 HB2 GLN 28 2HB GLN 28 3.826 -2.678 -20.262 199 HB3 GLN 28 3HB GLN 28 4.141 -3.563 -18.771 200 HG2 GLN 28 2HG GLN 28 2.087 -1.724 -18.214 201 HG3 GLN 28 3HG GLN 28 1.693 -2.477 -19.758 202 HE21 GLN 28 1HE2 GLN 28 -0.038 -3.621 -18.919 203 HE22 GLN 28 2HE2 GLN 28 0.161 -4.970 -17.856 204 H CYS 29 H CYS 29 5.770 -1.603 -20.861 205 HA CYS 29 HA CYS 29 8.093 -2.956 -20.183 206 HB2 CYS 29 2HB CYS 29 7.317 -2.518 -22.510 207 HB3 CYS 29 3HB CYS 29 7.816 -0.840 -22.330 208 H ARG 30 H ARG 30 7.325 0.465 -19.948 209 HA ARG 30 HA ARG 30 9.841 1.560 -19.595 210 HB2 ARG 30 2HB ARG 30 7.818 2.906 -19.762 211 HB3 ARG 30 3HB ARG 30 7.266 2.313 -18.208 212 HG2 ARG 30 2HG ARG 30 8.603 3.706 -17.048 213 HG3 ARG 30 3HG ARG 30 9.922 3.573 -18.212 214 HD2 ARG 30 2HD ARG 30 7.978 4.886 -19.646 215 HD3 ARG 30 3HD ARG 30 7.785 5.546 -18.026 216 HE ARG 30 HE ARG 30 10.514 5.517 -18.804 217 HH11 ARG 30 1HH1 ARG 30 7.519 7.238 -19.231 218 HH12 ARG 30 2HH1 ARG 30 8.283 8.746 -19.609 219 HH21 ARG 30 1HH2 ARG 30 11.536 7.500 -19.289 220 HH22 ARG 30 2HH2 ARG 30 10.575 8.893 -19.632 221 H ARG 31 H ARG 31 7.642 0.491 -16.993 222 HA ARG 31 HA ARG 31 9.399 0.811 -14.866 223 HB2 ARG 31 2HB ARG 31 7.898 -0.432 -13.579 224 HB3 ARG 31 3HB ARG 31 6.889 0.222 -14.866 225 HG2 ARG 31 2HG ARG 31 7.752 -2.178 -15.898 226 HG3 ARG 31 3HG ARG 31 7.497 -2.541 -14.193 227 HD2 ARG 31 2HD ARG 31 5.414 -0.976 -15.611 228 HD3 ARG 31 3HD ARG 31 5.537 -2.699 -15.965 229 HE ARG 31 HE ARG 31 5.535 -2.436 -13.209 230 HH11 ARG 31 1HH1 ARG 31 3.400 -1.757 -15.867 231 HH12 ARG 31 2HH1 ARG 31 1.952 -1.975 -14.935 232 HH21 ARG 31 1HH2 ARG 31 3.639 -2.739 -11.975 233 HH22 ARG 31 2HH2 ARG 31 2.091 -2.534 -12.722 234 H ARG 32 H ARG 32 10.162 -1.142 -13.490 235 HA ARG 32 HA ARG 32 12.012 -2.625 -15.156 236 HB2 ARG 32 2HB ARG 32 11.787 -2.735 -12.158 237 HB3 ARG 32 3HB ARG 32 13.179 -3.163 -13.148 238 HG2 ARG 32 2HG ARG 32 12.904 -0.597 -13.871 239 HG3 ARG 32 3HG ARG 32 12.231 -0.519 -12.242 240 HD2 ARG 32 2HD ARG 32 14.267 -1.555 -11.359 241 HD3 ARG 32 3HD ARG 32 14.941 -1.623 -12.988 242 HE ARG 32 HE ARG 32 14.352 1.004 -12.626 243 HH11 ARG 32 1HH1 ARG 32 16.222 -1.342 -10.856 244 HH12 ARG 32 2HH1 ARG 32 17.339 -0.179 -10.230 245 HH21 ARG 32 1HH2 ARG 32 15.819 2.550 -11.804 246 HH22 ARG 32 2HH2 ARG 32 17.102 2.044 -10.770 247 H ARG 33 H ARG 33 9.406 -3.449 -15.574 248 HA ARG 33 HA ARG 33 8.754 -5.732 -13.984 249 HB2 ARG 33 2HB ARG 33 6.999 -6.133 -15.644 250 HB3 ARG 33 3HB ARG 33 7.009 -4.458 -15.127 251 HG2 ARG 33 2HG ARG 33 7.995 -3.732 -17.151 252 HG3 ARG 33 3HG ARG 33 8.360 -5.379 -17.640 253 HD2 ARG 33 2HD ARG 33 5.736 -5.648 -17.391 254 HD3 ARG 33 3HD ARG 33 5.780 -3.911 -17.683 255 HE ARG 33 HE ARG 33 6.230 -4.367 -19.873 256 HH11 ARG 33 1HH1 ARG 33 7.126 -7.138 -17.969 257 HH12 ARG 33 2HH1 ARG 33 7.533 -8.108 -19.340 258 HH21 ARG 33 1HH2 ARG 33 6.756 -5.639 -21.693 259 HH22 ARG 33 2HH2 ARG 33 7.322 -7.255 -21.457 260 H GLY 34 H GLY 34 10.902 -5.151 -16.566 261 HA2 GLY 34 2HA GLY 34 10.955 -8.007 -17.301 262 HA3 GLY 34 3HA GLY 34 11.652 -6.689 -18.246 263 H GLY 35 H GLY 35 13.764 -7.066 -18.367 264 HA2 GLY 35 2HA GLY 35 15.454 -6.744 -16.148 265 HA3 GLY 35 3HA GLY 35 15.278 -8.474 -16.442 266 H GLY 36 H GLY 36 15.321 -8.765 -19.091 267 HA2 GLY 36 2HA GLY 36 16.565 -8.485 -21.045 268 HA3 GLY 36 3HA GLY 36 17.457 -7.189 -20.265 269 H ASP 37 H ASP 37 18.222 -9.689 -21.809 270 HA ASP 37 HA ASP 37 19.678 -11.282 -19.901 271 HB2 ASP 37 2HB ASP 37 18.707 -12.182 -22.042 272 HB3 ASP 37 3HB ASP 37 19.953 -11.286 -22.905 Start of MODEL 18 1 H1 GLY 1 H GLY 1 22.204 2.687 -33.666 2 HA2 GLY 1 2HA GLY 1 20.472 2.256 -35.224 3 HA3 GLY 1 3HA GLY 1 21.822 1.319 -35.842 4 H SER 2 H SER 2 21.953 -0.948 -35.176 5 HA SER 2 HA SER 2 19.280 -2.074 -34.677 6 HB2 SER 2 2HB SER 2 21.475 -3.480 -36.207 7 HB3 SER 2 3HB SER 2 19.748 -3.877 -36.152 8 HG SER 2 HG SER 2 19.550 -1.617 -37.092 9 H GLY 3 H GLY 3 19.118 -3.042 -32.765 10 HA2 GLY 3 2HA GLY 3 20.583 -5.128 -31.808 11 HA3 GLY 3 3HA GLY 3 21.455 -3.721 -31.226 12 H ARG 4 H ARG 4 20.306 -2.202 -29.855 13 HA ARG 4 HA ARG 4 18.513 -3.601 -28.062 14 HB2 ARG 4 2HB ARG 4 20.271 -1.232 -27.903 15 HB3 ARG 4 3HB ARG 4 18.789 -1.118 -26.977 16 HG2 ARG 4 2HG ARG 4 19.395 -2.790 -25.535 17 HG3 ARG 4 3HG ARG 4 20.410 -3.602 -26.729 18 HD2 ARG 4 2HD ARG 4 22.103 -1.888 -26.500 19 HD3 ARG 4 3HD ARG 4 21.068 -0.968 -25.415 20 HE ARG 4 HE ARG 4 22.708 -3.228 -24.749 21 HH11 ARG 4 1HH1 ARG 4 19.844 -1.442 -23.887 22 HH12 ARG 4 2HH1 ARG 4 19.862 -1.955 -22.237 23 HH21 ARG 4 1HH2 ARG 4 22.734 -3.904 -22.577 24 HH22 ARG 4 2HH2 ARG 4 21.506 -3.350 -21.487 25 H GLY 5 H GLY 5 16.369 -3.421 -28.144 26 HA2 GLY 5 2HA GLY 5 15.219 -1.214 -29.727 27 HA3 GLY 5 3HA GLY 5 14.428 -2.749 -29.373 28 H SER 6 H SER 6 14.113 0.364 -28.809 29 HA SER 6 HA SER 6 13.883 0.572 -25.994 30 HB2 SER 6 2HB SER 6 12.865 2.689 -26.371 31 HB3 SER 6 3HB SER 6 14.061 2.484 -27.645 32 HG SER 6 HG SER 6 12.516 2.346 -29.103 33 H CYS 7 H CYS 7 11.434 1.583 -25.423 34 HA CYS 7 HA CYS 7 9.746 -0.796 -25.587 35 HB2 CYS 7 2HB CYS 7 9.681 1.636 -23.793 36 HB3 CYS 7 3HB CYS 7 8.418 0.410 -23.792 37 H ARG 8 H ARG 8 9.901 2.489 -26.657 38 HA ARG 8 HA ARG 8 7.136 2.787 -27.288 39 HB2 ARG 8 2HB ARG 8 9.206 4.517 -27.073 40 HB3 ARG 8 3HB ARG 8 9.102 4.369 -28.824 41 HG2 ARG 8 2HG ARG 8 7.760 6.214 -28.245 42 HG3 ARG 8 3HG ARG 8 6.634 4.898 -28.583 43 HD2 ARG 8 2HD ARG 8 5.735 5.617 -26.626 44 HD3 ARG 8 3HD ARG 8 6.915 4.484 -25.975 45 HE ARG 8 HE ARG 8 8.281 6.832 -26.094 46 HH11 ARG 8 1HH1 ARG 8 5.229 5.882 -24.711 47 HH12 ARG 8 2HH1 ARG 8 5.299 7.040 -23.429 48 HH21 ARG 8 1HH2 ARG 8 8.380 8.363 -24.404 49 HH22 ARG 8 2HH2 ARG 8 7.095 8.453 -23.256 50 H SER 9 H SER 9 9.966 2.559 -29.458 51 HA SER 9 HA SER 9 8.557 2.097 -31.801 52 HB2 SER 9 2HB SER 9 10.802 2.605 -32.150 53 HB3 SER 9 3HB SER 9 11.354 1.486 -30.908 54 HG SER 9 HG SER 9 11.422 -0.055 -32.339 55 H GLN 10 H GLN 10 9.630 -0.159 -29.336 56 HA GLN 10 HA GLN 10 9.074 -2.540 -30.752 57 HB2 GLN 10 2HB GLN 10 9.572 -1.818 -27.917 58 HB3 GLN 10 3HB GLN 10 8.796 -3.375 -28.233 59 HG2 GLN 10 2HG GLN 10 11.376 -2.503 -29.513 60 HG3 GLN 10 3HG GLN 10 11.284 -3.424 -28.012 61 HE21 GLN 10 1HE2 GLN 10 12.653 -4.766 -29.616 62 HE22 GLN 10 2HE2 GLN 10 11.783 -5.988 -30.480 63 H CYS 11 H CYS 11 7.164 -0.653 -28.427 64 HA CYS 11 HA CYS 11 4.906 -2.380 -28.521 65 HB2 CYS 11 2HB CYS 11 5.377 0.396 -27.486 66 HB3 CYS 11 3HB CYS 11 3.757 -0.285 -27.518 67 H MET 12 H MET 12 5.979 0.341 -30.414 68 HA MET 12 HA MET 12 3.483 0.961 -31.615 69 HB2 MET 12 2HB MET 12 6.347 1.564 -32.302 70 HB3 MET 12 3HB MET 12 5.055 2.008 -33.405 71 HG2 MET 12 2HG MET 12 4.090 3.038 -31.130 72 HG3 MET 12 3HG MET 12 5.815 3.145 -30.795 73 HE1 MET 12 HE1 MET 12 7.296 4.862 -33.626 74 HE2 MET 12 HE2 MET 12 7.154 5.808 -32.150 75 HE3 MET 12 HE3 MET 12 7.431 4.064 -32.063 76 H ARG 13 H ARG 13 6.245 -1.031 -32.629 77 HA ARG 13 HA ARG 13 5.171 -1.763 -35.140 78 HB2 ARG 13 2HB ARG 13 7.217 -3.137 -33.389 79 HB3 ARG 13 3HB ARG 13 6.848 -3.616 -35.040 80 HG2 ARG 13 2HG ARG 13 7.609 -0.792 -34.537 81 HG3 ARG 13 3HG ARG 13 8.869 -2.031 -34.487 82 HD2 ARG 13 2HD ARG 13 8.019 -2.801 -36.744 83 HD3 ARG 13 3HD ARG 13 7.042 -1.337 -36.775 84 HE ARG 13 HE ARG 13 9.591 -0.478 -36.270 85 HH11 ARG 13 1HH1 ARG 13 8.044 -2.346 -38.769 86 HH12 ARG 13 2HH1 ARG 13 9.137 -1.826 -40.005 87 HH21 ARG 13 1HH2 ARG 13 11.032 0.212 -37.892 88 HH22 ARG 13 2HH2 ARG 13 10.838 -0.381 -39.508 89 H ARG 14 H ARG 14 4.888 -3.143 -31.913 90 HA ARG 14 HA ARG 14 3.609 -5.549 -32.759 91 HB2 ARG 14 2HB ARG 14 4.860 -5.195 -30.576 92 HB3 ARG 14 3HB ARG 14 3.459 -4.285 -30.019 93 HG2 ARG 14 2HG ARG 14 2.076 -6.328 -30.452 94 HG3 ARG 14 3HG ARG 14 3.580 -7.200 -30.776 95 HD2 ARG 14 2HD ARG 14 4.330 -6.955 -28.570 96 HD3 ARG 14 3HD ARG 14 3.164 -5.675 -28.227 97 HE ARG 14 HE ARG 14 1.599 -7.274 -27.734 98 HH11 ARG 14 1HH1 ARG 14 4.258 -8.756 -29.429 99 HH12 ARG 14 2HH1 ARG 14 3.694 -10.370 -29.169 100 HH21 ARG 14 1HH2 ARG 14 0.847 -9.403 -27.390 101 HH22 ARG 14 2HH2 ARG 14 1.747 -10.742 -28.013 102 H HIS 15 H HIS 15 2.553 -2.321 -32.046 103 HA HIS 15 HA HIS 15 -0.242 -3.194 -32.351 104 HB2 HIS 15 2HB HIS 15 0.757 -0.741 -30.889 105 HB3 HIS 15 3HB HIS 15 -0.919 -1.277 -31.003 106 HD1 HIS 15 HD1 HIS 15 -1.039 -4.009 -30.078 107 HD2 HIS 15 HD2 HIS 15 1.736 -1.377 -28.464 108 HE1 HIS 15 HE1 HIS 15 -0.401 -4.992 -27.857 109 H GLU 16 H GLU 16 1.140 -2.836 -34.627 110 HA GLU 16 HA GLU 16 1.180 -0.210 -35.649 111 HB2 GLU 16 2HB GLU 16 2.467 -1.984 -36.697 112 HB3 GLU 16 3HB GLU 16 0.990 -2.868 -37.080 113 HG2 GLU 16 2HG GLU 16 0.460 -1.498 -38.830 114 HG3 GLU 16 3HG GLU 16 1.262 -0.104 -38.120 115 H ASP 17 H ASP 17 -1.353 -2.548 -35.265 116 HA ASP 17 HA ASP 17 -3.152 -1.256 -37.119 117 HB2 ASP 17 2HB ASP 17 -3.350 -3.650 -36.842 118 HB3 ASP 17 3HB ASP 17 -3.575 -3.475 -35.098 119 H GLU 18 H GLU 18 -2.561 -1.290 -33.668 120 HA GLU 18 HA GLU 18 -4.450 0.940 -33.381 121 HB2 GLU 18 2HB GLU 18 -4.157 -1.184 -31.272 122 HB3 GLU 18 3HB GLU 18 -5.371 0.077 -31.371 123 HG2 GLU 18 2HG GLU 18 -6.057 -1.088 -33.575 124 HG3 GLU 18 3HG GLU 18 -5.163 -2.463 -32.931 125 HA PRO 19 HA PRO 19 -0.257 1.958 -31.675 126 HB2 PRO 19 2HB PRO 19 -0.133 4.412 -32.833 127 HB3 PRO 19 3HB PRO 19 0.385 2.934 -33.655 128 HG2 PRO 19 2HG PRO 19 -2.192 4.442 -33.905 129 HG3 PRO 19 3HG PRO 19 -1.190 3.718 -35.175 130 HD2 PRO 19 2HD PRO 19 -3.423 2.525 -34.219 131 HD3 PRO 19 3HD PRO 19 -2.013 1.602 -34.794 132 H TRP 20 H TRP 20 -3.425 3.123 -31.439 133 HA TRP 20 HA TRP 20 -2.919 5.396 -29.757 134 HB2 TRP 20 2HB TRP 20 -5.454 3.801 -30.184 135 HB3 TRP 20 3HB TRP 20 -5.354 5.353 -29.357 136 HD1 TRP 20 HD1 TRP 20 -5.448 3.798 -32.812 137 HE1 TRP 20 HE1 TRP 20 -5.624 5.662 -34.577 138 HE3 TRP 20 HE3 TRP 20 -4.657 7.848 -29.789 139 HZ2 TRP 20 HZ2 TRP 20 -5.458 8.476 -34.673 140 HZ3 TRP 20 HZ3 TRP 20 -4.682 10.090 -30.799 141 HH2 TRP 20 HH2 TRP 20 -5.071 10.400 -33.185 142 H ARG 21 H ARG 21 -2.889 2.040 -29.276 143 HA ARG 21 HA ARG 21 -3.355 2.326 -26.387 144 HB2 ARG 21 2HB ARG 21 -3.634 -0.079 -26.324 145 HB3 ARG 21 3HB ARG 21 -4.691 0.618 -27.552 146 HG2 ARG 21 2HG ARG 21 -3.665 -0.457 -29.230 147 HG3 ARG 21 3HG ARG 21 -2.067 -0.250 -28.526 148 HD2 ARG 21 2HD ARG 21 -2.236 -2.484 -28.208 149 HD3 ARG 21 3HD ARG 21 -3.106 -1.981 -26.766 150 HE ARG 21 HE ARG 21 -5.071 -2.151 -28.583 151 HH11 ARG 21 1HH1 ARG 21 -2.512 -4.327 -27.699 152 HH12 ARG 21 2HH1 ARG 21 -3.418 -5.757 -28.079 153 HH21 ARG 21 1HH2 ARG 21 -6.274 -4.022 -29.100 154 HH22 ARG 21 2HH2 ARG 21 -5.553 -5.580 -28.884 155 H VAL 22 H VAL 22 -0.871 2.466 -28.487 156 HA VAL 22 HA VAL 22 1.091 0.742 -27.559 157 HB VAL 22 HB VAL 22 1.290 3.520 -28.695 158 HG11 VAL 22 1HG1 VAL 22 3.247 3.417 -27.412 159 HG12 VAL 22 2HG1 VAL 22 3.491 1.703 -27.750 160 HG13 VAL 22 3HG1 VAL 22 3.751 2.906 -29.020 161 HG21 VAL 22 3HG2 VAL 22 0.603 1.337 -29.989 162 HG22 VAL 22 1HG2 VAL 22 1.697 2.504 -30.716 163 HG23 VAL 22 2HG2 VAL 22 2.340 1.039 -29.978 164 H GLN 23 H GLN 23 -0.010 3.809 -26.247 165 HA GLN 23 HA GLN 23 2.015 4.344 -24.431 166 HB2 GLN 23 2HB GLN 23 -0.312 5.543 -25.030 167 HB3 GLN 23 3HB GLN 23 -0.774 4.797 -23.508 168 HG2 GLN 23 2HG GLN 23 1.770 6.050 -23.199 169 HG3 GLN 23 3HG GLN 23 0.646 7.190 -23.928 170 HE21 GLN 23 1HE2 GLN 23 1.844 7.145 -21.261 171 HE22 GLN 23 2HE2 GLN 23 0.531 7.166 -20.140 172 H GLU 24 H GLU 24 -0.986 2.502 -23.829 173 HA GLU 24 HA GLU 24 -0.468 1.762 -21.208 174 HB2 GLU 24 2HB GLU 24 -2.593 1.407 -22.609 175 HB3 GLU 24 3HB GLU 24 -1.827 -0.072 -23.179 176 HG2 GLU 24 2HG GLU 24 -1.532 -0.362 -20.508 177 HG3 GLU 24 3HG GLU 24 -3.050 0.538 -20.588 178 H CYS 25 H CYS 25 0.747 0.421 -24.204 179 HA CYS 25 HA CYS 25 1.856 -1.945 -23.014 180 HB2 CYS 25 2HB CYS 25 1.302 -2.003 -25.354 181 HB3 CYS 25 3HB CYS 25 2.306 -0.598 -25.689 182 H VAL 26 H VAL 26 3.161 1.187 -24.060 183 HA VAL 26 HA VAL 26 5.860 0.636 -23.426 184 HB VAL 26 HB VAL 26 4.398 3.273 -23.597 185 HG11 VAL 26 1HG1 VAL 26 6.664 4.271 -23.836 186 HG12 VAL 26 2HG1 VAL 26 6.358 3.588 -22.241 187 HG13 VAL 26 3HG1 VAL 26 7.352 2.710 -23.411 188 HG21 VAL 26 3HG2 VAL 26 5.150 3.420 -25.818 189 HG22 VAL 26 1HG2 VAL 26 6.321 2.123 -25.588 190 HG23 VAL 26 2HG2 VAL 26 4.594 1.759 -25.645 191 H SER 27 H SER 27 3.230 2.102 -21.568 192 HA SER 27 HA SER 27 4.616 2.995 -19.354 193 HB2 SER 27 2HB SER 27 2.051 3.062 -19.971 194 HB3 SER 27 3HB SER 27 1.985 1.624 -18.947 195 HG SER 27 HG SER 27 1.748 3.190 -17.496 196 H GLN 28 H GLN 28 3.547 -0.268 -20.145 197 HA GLN 28 HA GLN 28 4.311 -1.383 -17.618 198 HB2 GLN 28 2HB GLN 28 3.647 -2.648 -20.276 199 HB3 GLN 28 3HB GLN 28 4.002 -3.574 -18.814 200 HG2 GLN 28 2HG GLN 28 2.066 -1.821 -17.976 201 HG3 GLN 28 3HG GLN 28 1.559 -2.199 -19.621 202 HE21 GLN 28 1HE2 GLN 28 0.139 -3.770 -19.665 203 HE22 GLN 28 2HE2 GLN 28 0.120 -5.165 -18.652 204 H CYS 29 H CYS 29 5.691 -1.580 -20.891 205 HA CYS 29 HA CYS 29 7.945 -3.081 -20.286 206 HB2 CYS 29 2HB CYS 29 7.253 -2.591 -22.588 207 HB3 CYS 29 3HB CYS 29 7.650 -0.883 -22.350 208 H ARG 30 H ARG 30 7.695 0.474 -20.490 209 HA ARG 30 HA ARG 30 10.302 1.022 -19.630 210 HB2 ARG 30 2HB ARG 30 9.068 2.766 -20.675 211 HB3 ARG 30 3HB ARG 30 7.760 2.637 -19.504 212 HG2 ARG 30 2HG ARG 30 9.023 3.668 -17.827 213 HG3 ARG 30 3HG ARG 30 10.537 3.441 -18.694 214 HD2 ARG 30 2HD ARG 30 8.662 4.942 -20.285 215 HD3 ARG 30 3HD ARG 30 8.892 5.700 -18.708 216 HE ARG 30 HE ARG 30 11.418 5.102 -19.624 217 HH11 ARG 30 1HH1 ARG 30 8.723 7.013 -20.718 218 HH12 ARG 30 2HH1 ARG 30 9.710 8.168 -21.550 219 HH21 ARG 30 1HH2 ARG 30 12.733 6.621 -20.714 220 HH22 ARG 30 2HH2 ARG 30 11.984 7.944 -21.548 221 H ARG 31 H ARG 31 7.384 0.320 -17.846 222 HA ARG 31 HA ARG 31 8.197 1.221 -15.318 223 HB2 ARG 31 2HB ARG 31 6.077 -0.492 -16.400 224 HB3 ARG 31 3HB ARG 31 6.572 -0.922 -14.763 225 HG2 ARG 31 2HG ARG 31 5.816 1.881 -15.574 226 HG3 ARG 31 3HG ARG 31 4.655 0.696 -14.969 227 HD2 ARG 31 2HD ARG 31 5.191 1.308 -12.897 228 HD3 ARG 31 3HD ARG 31 6.800 0.626 -13.168 229 HE ARG 31 HE ARG 31 7.616 2.753 -13.228 230 HH11 ARG 31 1HH1 ARG 31 4.202 2.866 -13.928 231 HH12 ARG 31 2HH1 ARG 31 4.142 4.593 -13.963 232 HH21 ARG 31 1HH2 ARG 31 7.542 5.027 -13.280 233 HH22 ARG 31 2HH2 ARG 31 6.033 5.821 -13.593 234 H ARG 32 H ARG 32 9.042 0.102 -13.530 235 HA ARG 32 HA ARG 32 10.961 -1.945 -14.259 236 HB2 ARG 32 2HB ARG 32 11.783 -1.643 -11.933 237 HB3 ARG 32 3HB ARG 32 11.770 -0.158 -12.873 238 HG2 ARG 32 2HG ARG 32 10.265 0.824 -11.533 239 HG3 ARG 32 3HG ARG 32 9.338 -0.660 -11.319 240 HD2 ARG 32 2HD ARG 32 11.545 -1.321 -9.959 241 HD3 ARG 32 3HD ARG 32 11.585 0.427 -9.730 242 HE ARG 32 HE ARG 32 9.011 -0.690 -9.176 243 HH11 ARG 32 1HH1 ARG 32 12.193 -0.118 -7.870 244 HH12 ARG 32 2HH1 ARG 32 11.654 -0.126 -6.219 245 HH21 ARG 32 1HH2 ARG 32 8.291 -0.704 -7.012 246 HH22 ARG 32 2HH2 ARG 32 9.436 -0.458 -5.730 247 H ARG 33 H ARG 33 7.889 -2.270 -13.841 248 HA ARG 33 HA ARG 33 7.898 -4.347 -11.788 249 HB2 ARG 33 2HB ARG 33 5.485 -4.327 -11.983 250 HB3 ARG 33 3HB ARG 33 6.079 -2.681 -11.802 251 HG2 ARG 33 2HG ARG 33 5.098 -2.064 -13.684 252 HG3 ARG 33 3HG ARG 33 5.920 -3.337 -14.576 253 HD2 ARG 33 2HD ARG 33 3.606 -3.732 -14.870 254 HD3 ARG 33 3HD ARG 33 4.164 -4.916 -13.693 255 HE ARG 33 HE ARG 33 3.251 -2.699 -12.275 256 HH11 ARG 33 1HH1 ARG 33 1.976 -5.151 -14.402 257 HH12 ARG 33 2HH1 ARG 33 0.393 -5.126 -13.696 258 HH21 ARG 33 1HH2 ARG 33 1.171 -2.660 -11.332 259 HH22 ARG 33 2HH2 ARG 33 -0.064 -3.714 -11.953 260 H GLY 34 H GLY 34 9.223 -4.622 -14.457 261 HA2 GLY 34 2HA GLY 34 8.050 -7.205 -15.116 262 HA3 GLY 34 3HA GLY 34 8.127 -6.017 -16.414 263 H GLY 35 H GLY 35 9.398 -8.367 -16.803 264 HA2 GLY 35 2HA GLY 35 11.471 -8.891 -17.754 265 HA3 GLY 35 3HA GLY 35 12.175 -7.507 -16.939 266 H GLY 36 H GLY 36 10.253 -9.982 -15.343 267 HA2 GLY 36 2HA GLY 36 12.591 -10.604 -13.687 268 HA3 GLY 36 3HA GLY 36 10.914 -10.926 -13.254 269 H ASP 37 H ASP 37 12.613 -12.924 -12.822 270 HA ASP 37 HA ASP 37 11.928 -14.842 -14.937 271 HB2 ASP 37 2HB ASP 37 14.061 -15.761 -15.047 272 HB3 ASP 37 3HB ASP 37 14.404 -14.041 -14.903 Start of MODEL 19 1 H1 GLY 1 H GLY 1 18.119 -1.922 -24.035 2 HA2 GLY 1 2HA GLY 1 17.444 -3.455 -21.768 3 HA3 GLY 1 3HA GLY 1 16.473 -2.150 -22.432 4 H SER 2 H SER 2 16.657 -5.464 -21.882 5 HA SER 2 HA SER 2 15.355 -7.246 -22.460 6 HB2 SER 2 2HB SER 2 13.136 -5.416 -23.269 7 HB3 SER 2 3HB SER 2 13.079 -6.889 -22.296 8 HG SER 2 HG SER 2 14.074 -5.706 -20.599 9 H GLY 3 H GLY 3 17.060 -6.445 -24.481 10 HA2 GLY 3 2HA GLY 3 17.199 -7.487 -26.646 11 HA3 GLY 3 3HA GLY 3 15.476 -7.203 -26.838 12 H ARG 4 H ARG 4 17.953 -4.910 -25.769 13 HA ARG 4 HA ARG 4 18.393 -2.785 -26.500 14 HB2 ARG 4 2HB ARG 4 19.360 -2.678 -28.665 15 HB3 ARG 4 3HB ARG 4 19.700 -4.291 -28.043 16 HG2 ARG 4 2HG ARG 4 18.121 -5.298 -29.452 17 HG3 ARG 4 3HG ARG 4 17.355 -3.758 -29.838 18 HD2 ARG 4 2HD ARG 4 18.749 -3.413 -31.537 19 HD3 ARG 4 3HD ARG 4 20.155 -3.722 -30.510 20 HE ARG 4 HE ARG 4 20.265 -5.850 -31.346 21 HH11 ARG 4 1HH1 ARG 4 17.183 -4.454 -32.159 22 HH12 ARG 4 2HH1 ARG 4 16.725 -5.753 -33.209 23 HH21 ARG 4 1HH2 ARG 4 19.677 -7.564 -32.725 24 HH22 ARG 4 2HH2 ARG 4 18.148 -7.521 -33.540 25 H GLY 5 H GLY 5 17.833 -1.460 -28.895 26 HA2 GLY 5 2HA GLY 5 16.178 -0.355 -30.046 27 HA3 GLY 5 3HA GLY 5 15.062 -1.614 -29.553 28 H SER 6 H SER 6 13.352 -0.501 -28.806 29 HA SER 6 HA SER 6 13.665 0.963 -26.339 30 HB2 SER 6 2HB SER 6 13.820 2.966 -27.377 31 HB3 SER 6 3HB SER 6 13.207 2.320 -28.904 32 HG SER 6 HG SER 6 11.833 3.886 -27.737 33 H CYS 7 H CYS 7 11.753 1.152 -25.159 34 HA CYS 7 HA CYS 7 9.848 -0.877 -25.548 35 HB2 CYS 7 2HB CYS 7 9.835 1.580 -23.788 36 HB3 CYS 7 3HB CYS 7 8.558 0.355 -23.754 37 H ARG 8 H ARG 8 9.999 2.410 -26.650 38 HA ARG 8 HA ARG 8 7.217 2.673 -27.261 39 HB2 ARG 8 2HB ARG 8 9.268 4.447 -27.033 40 HB3 ARG 8 3HB ARG 8 9.152 4.307 -28.784 41 HG2 ARG 8 2HG ARG 8 6.688 4.797 -28.538 42 HG3 ARG 8 3HG ARG 8 7.030 5.211 -26.851 43 HD2 ARG 8 2HD ARG 8 7.055 7.239 -28.104 44 HD3 ARG 8 3HD ARG 8 8.720 6.849 -27.679 45 HE ARG 8 HE ARG 8 7.957 5.864 -30.260 46 HH11 ARG 8 1HH1 ARG 8 9.117 8.632 -28.511 47 HH12 ARG 8 2HH1 ARG 8 9.856 9.358 -29.896 48 HH21 ARG 8 1HH2 ARG 8 8.933 6.805 -32.094 49 HH22 ARG 8 2HH2 ARG 8 9.756 8.319 -31.935 50 H SER 9 H SER 9 10.048 2.519 -29.434 51 HA SER 9 HA SER 9 8.685 2.087 -31.793 52 HB2 SER 9 2HB SER 9 11.021 2.596 -31.878 53 HB3 SER 9 3HB SER 9 11.430 1.168 -30.934 54 HG SER 9 HG SER 9 11.757 0.402 -32.889 55 H GLN 10 H GLN 10 9.619 -0.213 -29.306 56 HA GLN 10 HA GLN 10 9.031 -2.565 -30.776 57 HB2 GLN 10 2HB GLN 10 9.486 -1.889 -27.910 58 HB3 GLN 10 3HB GLN 10 8.701 -3.425 -28.280 59 HG2 GLN 10 2HG GLN 10 11.319 -2.583 -29.496 60 HG3 GLN 10 3HG GLN 10 11.195 -3.519 -28.008 61 HE21 GLN 10 1HE2 GLN 10 12.517 -4.971 -29.418 62 HE22 GLN 10 2HE2 GLN 10 11.672 -6.119 -30.383 63 H CYS 11 H CYS 11 7.155 -0.777 -28.335 64 HA CYS 11 HA CYS 11 4.855 -2.413 -28.550 65 HB2 CYS 11 2HB CYS 11 5.308 0.371 -27.468 66 HB3 CYS 11 3HB CYS 11 3.721 -0.401 -27.447 67 H MET 12 H MET 12 6.057 0.246 -30.410 68 HA MET 12 HA MET 12 3.578 1.012 -31.594 69 HB2 MET 12 2HB MET 12 6.473 1.537 -32.222 70 HB3 MET 12 3HB MET 12 5.212 2.007 -33.363 71 HG2 MET 12 2HG MET 12 4.137 3.277 -31.479 72 HG3 MET 12 3HG MET 12 5.591 2.957 -30.543 73 HE1 MET 12 HE1 MET 12 4.127 4.348 -33.761 74 HE2 MET 12 HE2 MET 12 5.305 5.527 -34.332 75 HE3 MET 12 HE3 MET 12 5.619 3.811 -34.534 76 H ARG 13 H ARG 13 6.262 -1.065 -32.621 77 HA ARG 13 HA ARG 13 5.159 -1.724 -35.150 78 HB2 ARG 13 2HB ARG 13 7.210 -3.155 -33.452 79 HB3 ARG 13 3HB ARG 13 6.816 -3.591 -35.113 80 HG2 ARG 13 2HG ARG 13 7.391 -0.823 -35.088 81 HG3 ARG 13 3HG ARG 13 8.658 -1.650 -34.169 82 HD2 ARG 13 2HD ARG 13 9.503 -1.780 -36.299 83 HD3 ARG 13 3HD ARG 13 8.612 -3.303 -36.192 84 HE ARG 13 HE ARG 13 7.164 -2.531 -37.797 85 HH11 ARG 13 1HH1 ARG 13 9.043 0.131 -36.565 86 HH12 ARG 13 2HH1 ARG 13 8.473 1.244 -37.754 87 HH21 ARG 13 1HH2 ARG 13 6.411 -1.072 -39.368 88 HH22 ARG 13 2HH2 ARG 13 6.973 0.564 -39.346 89 H ARG 14 H ARG 14 4.902 -3.148 -31.946 90 HA ARG 14 HA ARG 14 3.603 -5.536 -32.783 91 HB2 ARG 14 2HB ARG 14 4.828 -5.175 -30.601 92 HB3 ARG 14 3HB ARG 14 3.430 -4.258 -30.059 93 HG2 ARG 14 2HG ARG 14 2.105 -6.395 -30.697 94 HG3 ARG 14 3HG ARG 14 3.680 -7.183 -30.605 95 HD2 ARG 14 2HD ARG 14 3.886 -6.765 -28.337 96 HD3 ARG 14 3HD ARG 14 2.764 -5.417 -28.376 97 HE ARG 14 HE ARG 14 1.326 -7.698 -29.026 98 HH11 ARG 14 1HH1 ARG 14 3.116 -6.458 -26.321 99 HH12 ARG 14 2HH1 ARG 14 2.165 -7.292 -25.136 100 HH21 ARG 14 1HH2 ARG 14 0.061 -8.809 -27.489 101 HH22 ARG 14 2HH2 ARG 14 0.431 -8.632 -25.802 102 H HIS 15 H HIS 15 2.538 -2.307 -32.029 103 HA HIS 15 HA HIS 15 -0.255 -3.174 -32.408 104 HB2 HIS 15 2HB HIS 15 0.703 -0.727 -30.903 105 HB3 HIS 15 3HB HIS 15 -0.958 -1.305 -31.036 106 HD1 HIS 15 HD1 HIS 15 -1.020 -4.045 -30.134 107 HD2 HIS 15 HD2 HIS 15 1.697 -1.364 -28.488 108 HE1 HIS 15 HE1 HIS 15 -0.360 -5.023 -27.915 109 H GLU 16 H GLU 16 1.107 -2.804 -34.670 110 HA GLU 16 HA GLU 16 1.210 -0.166 -35.667 111 HB2 GLU 16 2HB GLU 16 2.338 -2.245 -36.626 112 HB3 GLU 16 3HB GLU 16 0.772 -2.630 -37.344 113 HG2 GLU 16 2HG GLU 16 1.176 -0.014 -38.080 114 HG3 GLU 16 3HG GLU 16 2.787 -0.718 -38.187 115 H ASP 17 H ASP 17 -1.376 -2.451 -35.313 116 HA ASP 17 HA ASP 17 -3.142 -1.078 -37.139 117 HB2 ASP 17 2HB ASP 17 -3.068 -3.635 -36.283 118 HB3 ASP 17 3HB ASP 17 -4.244 -2.978 -35.142 119 H GLU 18 H GLU 18 -2.794 -1.409 -33.625 120 HA GLU 18 HA GLU 18 -4.589 0.909 -33.312 121 HB2 GLU 18 2HB GLU 18 -4.207 -1.242 -31.234 122 HB3 GLU 18 3HB GLU 18 -5.449 0.011 -31.294 123 HG2 GLU 18 2HG GLU 18 -6.308 -1.091 -33.385 124 HG3 GLU 18 3HG GLU 18 -5.202 -2.424 -33.043 125 HA PRO 19 HA PRO 19 -0.371 1.982 -31.692 126 HB2 PRO 19 2HB PRO 19 -0.315 4.449 -32.810 127 HB3 PRO 19 3HB PRO 19 0.209 2.995 -33.662 128 HG2 PRO 19 2HG PRO 19 -2.401 4.453 -33.838 129 HG3 PRO 19 3HG PRO 19 -1.419 3.764 -35.141 130 HD2 PRO 19 2HD PRO 19 -3.605 2.517 -34.148 131 HD3 PRO 19 3HD PRO 19 -2.204 1.626 -34.775 132 H TRP 20 H TRP 20 -3.561 3.092 -31.365 133 HA TRP 20 HA TRP 20 -3.052 5.338 -29.672 134 HB2 TRP 20 2HB TRP 20 -5.446 3.823 -30.566 135 HB3 TRP 20 3HB TRP 20 -5.591 4.754 -29.082 136 HD1 TRP 20 HD1 TRP 20 -4.092 7.374 -29.763 137 HE1 TRP 20 HE1 TRP 20 -4.954 8.972 -31.579 138 HE3 TRP 20 HE3 TRP 20 -6.962 4.094 -32.437 139 HZ2 TRP 20 HZ2 TRP 20 -6.628 8.860 -33.846 140 HZ3 TRP 20 HZ3 TRP 20 -8.157 4.919 -34.413 141 HH2 TRP 20 HH2 TRP 20 -7.999 7.259 -35.105 142 H ARG 21 H ARG 21 -2.963 1.982 -29.233 143 HA ARG 21 HA ARG 21 -3.371 2.222 -26.330 144 HB2 ARG 21 2HB ARG 21 -3.631 -0.186 -26.295 145 HB3 ARG 21 3HB ARG 21 -4.711 0.513 -27.490 146 HG2 ARG 21 2HG ARG 21 -3.705 -0.527 -29.209 147 HG3 ARG 21 3HG ARG 21 -2.092 -0.305 -28.524 148 HD2 ARG 21 2HD ARG 21 -2.224 -2.545 -28.227 149 HD3 ARG 21 3HD ARG 21 -3.084 -2.074 -26.766 150 HE ARG 21 HE ARG 21 -5.072 -2.256 -28.556 151 HH11 ARG 21 1HH1 ARG 21 -2.471 -4.402 -27.730 152 HH12 ARG 21 2HH1 ARG 21 -3.358 -5.839 -28.116 153 HH21 ARG 21 1HH2 ARG 21 -6.252 -4.130 -29.080 154 HH22 ARG 21 2HH2 ARG 21 -5.508 -5.682 -28.885 155 H VAL 22 H VAL 22 -0.939 2.425 -28.476 156 HA VAL 22 HA VAL 22 1.070 0.714 -27.622 157 HB VAL 22 HB VAL 22 1.197 3.517 -28.709 158 HG11 VAL 22 1HG1 VAL 22 3.477 1.696 -27.934 159 HG12 VAL 22 2HG1 VAL 22 3.653 3.049 -29.061 160 HG13 VAL 22 3HG1 VAL 22 3.171 3.352 -27.386 161 HG21 VAL 22 3HG2 VAL 22 2.283 1.114 -30.078 162 HG22 VAL 22 1HG2 VAL 22 0.535 1.324 -30.012 163 HG23 VAL 22 2HG2 VAL 22 1.546 2.559 -30.752 164 H GLN 23 H GLN 23 0.123 3.868 -26.318 165 HA GLN 23 HA GLN 23 2.143 4.279 -24.488 166 HB2 GLN 23 2HB GLN 23 0.452 5.564 -23.172 167 HB3 GLN 23 3HB GLN 23 0.477 5.970 -24.880 168 HG2 GLN 23 2HG GLN 23 -1.748 5.789 -24.673 169 HG3 GLN 23 3HG GLN 23 -1.414 4.069 -24.885 170 HE21 GLN 23 1HE2 GLN 23 -3.220 3.439 -23.725 171 HE22 GLN 23 2HE2 GLN 23 -3.332 3.612 -22.016 172 H GLU 24 H GLU 24 -0.839 2.388 -24.073 173 HA GLU 24 HA GLU 24 -0.499 1.705 -21.391 174 HB2 GLU 24 2HB GLU 24 -2.523 1.336 -22.933 175 HB3 GLU 24 3HB GLU 24 -1.719 -0.158 -23.409 176 HG2 GLU 24 2HG GLU 24 -1.615 -0.347 -20.707 177 HG3 GLU 24 3HG GLU 24 -3.134 0.526 -20.927 178 H CYS 25 H CYS 25 0.847 0.306 -24.314 179 HA CYS 25 HA CYS 25 1.931 -2.007 -23.017 180 HB2 CYS 25 2HB CYS 25 1.457 -2.170 -25.364 181 HB3 CYS 25 3HB CYS 25 2.437 -0.751 -25.719 182 H VAL 26 H VAL 26 3.241 1.105 -24.116 183 HA VAL 26 HA VAL 26 5.922 0.604 -23.400 184 HB VAL 26 HB VAL 26 4.442 3.216 -23.685 185 HG11 VAL 26 1HG1 VAL 26 6.701 4.219 -23.895 186 HG12 VAL 26 2HG1 VAL 26 6.364 3.590 -22.283 187 HG13 VAL 26 3HG1 VAL 26 7.398 2.685 -23.397 188 HG21 VAL 26 3HG2 VAL 26 4.669 1.693 -25.696 189 HG22 VAL 26 1HG2 VAL 26 5.328 3.315 -25.877 190 HG23 VAL 26 2HG2 VAL 26 6.411 1.955 -25.581 191 H SER 27 H SER 27 3.229 2.086 -21.658 192 HA SER 27 HA SER 27 4.550 3.059 -19.434 193 HB2 SER 27 2HB SER 27 1.811 1.786 -19.601 194 HB3 SER 27 3HB SER 27 2.397 2.696 -18.211 195 HG SER 27 HG SER 27 1.700 4.379 -19.244 196 H GLN 28 H GLN 28 3.540 -0.241 -20.147 197 HA GLN 28 HA GLN 28 4.249 -1.271 -17.564 198 HB2 GLN 28 2HB GLN 28 3.682 -2.640 -20.204 199 HB3 GLN 28 3HB GLN 28 3.977 -3.497 -18.688 200 HG2 GLN 28 2HG GLN 28 1.991 -1.648 -18.074 201 HG3 GLN 28 3HG GLN 28 1.562 -2.263 -19.672 202 HE21 GLN 28 1HE2 GLN 28 -0.197 -3.430 -18.987 203 HE22 GLN 28 2HE2 GLN 28 -0.078 -4.847 -18.008 204 H CYS 29 H CYS 29 5.706 -1.544 -20.811 205 HA CYS 29 HA CYS 29 7.958 -2.998 -20.110 206 HB2 CYS 29 2HB CYS 29 7.317 -2.571 -22.435 207 HB3 CYS 29 3HB CYS 29 7.695 -0.867 -22.238 208 H ARG 30 H ARG 30 7.687 0.541 -20.414 209 HA ARG 30 HA ARG 30 10.268 1.133 -19.513 210 HB2 ARG 30 2HB ARG 30 9.049 2.836 -20.639 211 HB3 ARG 30 3HB ARG 30 7.713 2.733 -19.492 212 HG2 ARG 30 2HG ARG 30 8.938 3.803 -17.800 213 HG3 ARG 30 3HG ARG 30 10.469 3.592 -18.663 214 HD2 ARG 30 2HD ARG 30 8.570 5.034 -20.284 215 HD3 ARG 30 3HD ARG 30 8.764 5.816 -18.721 216 HE ARG 30 HE ARG 30 11.317 5.358 -19.483 217 HH11 ARG 30 1HH1 ARG 30 8.588 6.839 -21.071 218 HH12 ARG 30 2HH1 ARG 30 9.562 7.908 -22.015 219 HH21 ARG 30 1HH2 ARG 30 12.602 6.776 -20.718 220 HH22 ARG 30 2HH2 ARG 30 11.841 7.881 -21.820 221 H ARG 31 H ARG 31 7.316 0.443 -17.788 222 HA ARG 31 HA ARG 31 8.048 1.431 -15.257 223 HB2 ARG 31 2HB ARG 31 5.971 -0.331 -16.349 224 HB3 ARG 31 3HB ARG 31 6.431 -0.708 -14.689 225 HG2 ARG 31 2HG ARG 31 5.662 2.053 -15.605 226 HG3 ARG 31 3HG ARG 31 4.505 0.876 -14.953 227 HD2 ARG 31 2HD ARG 31 5.422 0.958 -12.836 228 HD3 ARG 31 3HD ARG 31 6.985 1.519 -13.419 229 HE ARG 31 HE ARG 31 5.321 3.573 -14.007 230 HH11 ARG 31 1HH1 ARG 31 5.983 1.780 -11.095 231 HH12 ARG 31 2HH1 ARG 31 5.640 3.111 -10.042 232 HH21 ARG 31 1HH2 ARG 31 4.880 5.337 -12.632 233 HH22 ARG 31 2HH2 ARG 31 5.015 5.133 -10.913 234 H ARG 32 H ARG 32 8.479 0.057 -13.318 235 HA ARG 32 HA ARG 32 9.901 -1.294 -12.169 236 HB2 ARG 32 2HB ARG 32 9.514 -3.255 -14.433 237 HB3 ARG 32 3HB ARG 32 9.926 -3.615 -12.764 238 HG2 ARG 32 2HG ARG 32 7.660 -2.526 -12.202 239 HG3 ARG 32 3HG ARG 32 7.302 -2.780 -13.916 240 HD2 ARG 32 2HD ARG 32 7.542 -5.121 -13.712 241 HD3 ARG 32 3HD ARG 32 8.289 -4.984 -12.118 242 HE ARG 32 HE ARG 32 5.497 -5.051 -12.700 243 HH11 ARG 32 1HH1 ARG 32 7.869 -3.780 -10.503 244 HH12 ARG 32 2HH1 ARG 32 6.767 -3.639 -9.181 245 HH21 ARG 32 1HH2 ARG 32 4.029 -4.885 -10.968 246 HH22 ARG 32 2HH2 ARG 32 4.579 -4.274 -9.443 247 H ARG 33 H ARG 33 11.364 0.527 -13.287 248 HA ARG 33 HA ARG 33 13.307 -0.480 -15.146 249 HB2 ARG 33 2HB ARG 33 14.442 1.692 -14.744 250 HB3 ARG 33 3HB ARG 33 12.758 1.866 -15.192 251 HG2 ARG 33 2HG ARG 33 12.615 3.242 -13.441 252 HG3 ARG 33 3HG ARG 33 12.650 1.784 -12.453 253 HD2 ARG 33 2HD ARG 33 15.068 1.959 -12.256 254 HD3 ARG 33 3HD ARG 33 15.060 3.386 -13.291 255 HE ARG 33 HE ARG 33 14.474 4.630 -11.475 256 HH11 ARG 33 1HH1 ARG 33 13.742 1.283 -10.826 257 HH12 ARG 33 2HH1 ARG 33 13.288 1.569 -9.169 258 HH21 ARG 33 1HH2 ARG 33 13.883 5.012 -9.294 259 HH22 ARG 33 2HH2 ARG 33 13.378 3.684 -8.306 260 H GLY 34 H GLY 34 12.887 -0.634 -11.767 261 HA2 GLY 34 2HA GLY 34 15.602 -0.659 -10.943 262 HA3 GLY 34 3HA GLY 34 14.244 -1.314 -10.043 263 H GLY 35 H GLY 35 17.041 -2.307 -10.595 264 HA2 GLY 35 2HA GLY 35 16.790 -4.959 -10.435 265 HA3 GLY 35 3HA GLY 35 16.558 -4.716 -12.158 266 H GLY 36 H GLY 36 18.290 -3.894 -13.422 267 HA2 GLY 36 2HA GLY 36 20.912 -4.428 -12.181 268 HA3 GLY 36 3HA GLY 36 20.554 -4.580 -13.892 269 H ASP 37 H ASP 37 22.625 -3.022 -12.409 270 HA ASP 37 HA ASP 37 23.587 -0.955 -12.401 271 HB2 ASP 37 2HB ASP 37 24.107 -1.021 -14.616 272 HB3 ASP 37 3HB ASP 37 22.452 -1.395 -15.089 Start of MODEL 20 1 H1 GLY 1 H GLY 1 21.524 -13.972 -29.459 2 HA2 GLY 1 2HA GLY 1 18.912 -13.896 -30.794 3 HA3 GLY 1 3HA GLY 1 19.191 -13.625 -29.083 4 H SER 2 H SER 2 18.166 -12.099 -31.710 5 HA SER 2 HA SER 2 19.546 -9.567 -31.133 6 HB2 SER 2 2HB SER 2 17.724 -10.229 -33.469 7 HB3 SER 2 3HB SER 2 18.739 -8.789 -33.280 8 HG SER 2 HG SER 2 19.813 -11.409 -33.306 9 H GLY 3 H GLY 3 17.902 -7.636 -31.696 10 HA2 GLY 3 2HA GLY 3 15.646 -6.844 -31.406 11 HA3 GLY 3 3HA GLY 3 15.382 -8.149 -30.263 12 H ARG 4 H ARG 4 17.025 -5.072 -30.756 13 HA ARG 4 HA ARG 4 16.911 -4.645 -27.852 14 HB2 ARG 4 2HB ARG 4 19.120 -3.445 -28.029 15 HB3 ARG 4 3HB ARG 4 19.198 -5.199 -28.222 16 HG2 ARG 4 2HG ARG 4 19.860 -5.069 -30.374 17 HG3 ARG 4 3HG ARG 4 18.891 -3.639 -30.706 18 HD2 ARG 4 2HD ARG 4 20.598 -2.251 -30.289 19 HD3 ARG 4 3HD ARG 4 21.031 -3.118 -28.814 20 HE ARG 4 HE ARG 4 21.796 -4.488 -31.212 21 HH11 ARG 4 1HH1 ARG 4 22.715 -2.082 -28.866 22 HH12 ARG 4 2HH1 ARG 4 24.419 -2.255 -29.168 23 HH21 ARG 4 1HH2 ARG 4 24.027 -4.720 -31.623 24 HH22 ARG 4 2HH2 ARG 4 25.156 -3.748 -30.733 25 H GLY 5 H GLY 5 14.903 -3.612 -28.987 26 HA2 GLY 5 2HA GLY 5 15.605 -0.858 -29.812 27 HA3 GLY 5 3HA GLY 5 14.135 -1.702 -30.296 28 H SER 6 H SER 6 14.183 0.862 -29.132 29 HA SER 6 HA SER 6 13.754 0.888 -26.365 30 HB2 SER 6 2HB SER 6 13.185 3.094 -26.624 31 HB3 SER 6 3HB SER 6 13.954 2.831 -28.188 32 HG SER 6 HG SER 6 12.069 2.933 -29.166 33 H CYS 7 H CYS 7 11.761 1.126 -25.182 34 HA CYS 7 HA CYS 7 9.892 -0.893 -25.725 35 HB2 CYS 7 2HB CYS 7 9.790 1.493 -23.879 36 HB3 CYS 7 3HB CYS 7 8.513 0.286 -23.935 37 H ARG 8 H ARG 8 10.033 2.434 -26.716 38 HA ARG 8 HA ARG 8 7.288 2.717 -27.391 39 HB2 ARG 8 2HB ARG 8 9.351 4.460 -27.124 40 HB3 ARG 8 3HB ARG 8 9.268 4.324 -28.873 41 HG2 ARG 8 2HG ARG 8 6.852 4.901 -28.745 42 HG3 ARG 8 3HG ARG 8 7.060 5.176 -27.013 43 HD2 ARG 8 2HD ARG 8 8.171 7.123 -27.315 44 HD3 ARG 8 3HD ARG 8 8.970 6.561 -28.791 45 HE ARG 8 HE ARG 8 6.169 6.985 -29.173 46 HH11 ARG 8 1HH1 ARG 8 9.262 8.585 -28.998 47 HH12 ARG 8 2HH1 ARG 8 8.771 9.925 -29.980 48 HH21 ARG 8 1HH2 ARG 8 5.516 8.743 -30.471 49 HH22 ARG 8 2HH2 ARG 8 6.641 10.012 -30.815 50 H SER 9 H SER 9 10.149 2.528 -29.523 51 HA SER 9 HA SER 9 8.810 2.134 -31.908 52 HB2 SER 9 2HB SER 9 11.544 1.661 -30.908 53 HB3 SER 9 3HB SER 9 11.084 0.636 -32.278 54 HG SER 9 HG SER 9 10.346 2.712 -33.239 55 H GLN 10 H GLN 10 9.803 -0.259 -29.505 56 HA GLN 10 HA GLN 10 9.091 -2.546 -30.995 57 HB2 GLN 10 2HB GLN 10 9.683 -1.963 -28.139 58 HB3 GLN 10 3HB GLN 10 8.831 -3.459 -28.497 59 HG2 GLN 10 2HG GLN 10 11.418 -2.681 -29.814 60 HG3 GLN 10 3HG GLN 10 11.316 -3.650 -28.345 61 HE21 GLN 10 1HE2 GLN 10 12.494 -4.515 -30.737 62 HE22 GLN 10 2HE2 GLN 10 11.568 -5.845 -31.342 63 H CYS 11 H CYS 11 7.340 -0.728 -28.486 64 HA CYS 11 HA CYS 11 5.013 -2.305 -28.527 65 HB2 CYS 11 2HB CYS 11 5.665 0.466 -27.590 66 HB3 CYS 11 3HB CYS 11 3.981 -0.044 -27.654 67 H MET 12 H MET 12 6.008 0.473 -30.431 68 HA MET 12 HA MET 12 3.529 1.019 -31.654 69 HB2 MET 12 2HB MET 12 6.381 1.557 -32.474 70 HB3 MET 12 3HB MET 12 5.019 2.036 -33.480 71 HG2 MET 12 2HG MET 12 4.213 3.117 -31.196 72 HG3 MET 12 3HG MET 12 5.941 3.116 -30.878 73 HE1 MET 12 HE1 MET 12 7.058 6.107 -31.938 74 HE2 MET 12 HE2 MET 12 7.411 4.453 -31.438 75 HE3 MET 12 HE3 MET 12 7.674 4.959 -33.110 76 H ARG 13 H ARG 13 6.268 -0.994 -32.705 77 HA ARG 13 HA ARG 13 5.131 -1.804 -35.151 78 HB2 ARG 13 2HB ARG 13 7.240 -3.082 -33.411 79 HB3 ARG 13 3HB ARG 13 6.813 -3.679 -35.013 80 HG2 ARG 13 2HG ARG 13 7.594 -1.683 -36.042 81 HG3 ARG 13 3HG ARG 13 7.773 -0.877 -34.487 82 HD2 ARG 13 2HD ARG 13 9.382 -2.894 -33.989 83 HD3 ARG 13 3HD ARG 13 9.482 -2.972 -35.754 84 HE ARG 13 HE ARG 13 9.916 -0.344 -34.664 85 HH11 ARG 13 1HH1 ARG 13 11.391 -3.380 -35.528 86 HH12 ARG 13 2HH1 ARG 13 12.969 -2.710 -35.719 87 HH21 ARG 13 1HH2 ARG 13 12.002 0.557 -34.920 88 HH22 ARG 13 2HH2 ARG 13 13.322 -0.470 -35.375 89 H ARG 14 H ARG 14 4.950 -3.095 -31.884 90 HA ARG 14 HA ARG 14 3.628 -5.523 -32.642 91 HB2 ARG 14 2HB ARG 14 4.975 -5.134 -30.520 92 HB3 ARG 14 3HB ARG 14 3.594 -4.226 -29.922 93 HG2 ARG 14 2HG ARG 14 2.204 -6.294 -30.320 94 HG3 ARG 14 3HG ARG 14 3.728 -7.152 -30.596 95 HD2 ARG 14 2HD ARG 14 4.422 -6.147 -28.309 96 HD3 ARG 14 3HD ARG 14 2.692 -5.889 -28.081 97 HE ARG 14 HE ARG 14 4.076 -8.368 -27.927 98 HH11 ARG 14 1HH1 ARG 14 1.038 -6.911 -28.773 99 HH12 ARG 14 2HH1 ARG 14 0.109 -8.341 -28.449 100 HH21 ARG 14 1HH2 ARG 14 2.874 -10.258 -27.499 101 HH22 ARG 14 2HH2 ARG 14 1.160 -10.243 -27.718 102 H HIS 15 H HIS 15 2.615 -2.287 -31.826 103 HA HIS 15 HA HIS 15 -0.198 -3.152 -32.049 104 HB2 HIS 15 2HB HIS 15 0.932 -0.739 -30.603 105 HB3 HIS 15 3HB HIS 15 -0.773 -1.141 -30.725 106 HD1 HIS 15 HD1 HIS 15 -1.089 -3.892 -29.852 107 HD2 HIS 15 HD2 HIS 15 1.822 -1.461 -28.164 108 HE1 HIS 15 HE1 HIS 15 -0.549 -4.930 -27.633 109 H GLU 16 H GLU 16 1.491 -2.609 -34.291 110 HA GLU 16 HA GLU 16 1.231 -0.008 -35.303 111 HB2 GLU 16 2HB GLU 16 2.481 -2.242 -36.158 112 HB3 GLU 16 3HB GLU 16 1.093 -2.253 -37.235 113 HG2 GLU 16 2HG GLU 16 1.670 -0.150 -38.143 114 HG3 GLU 16 3HG GLU 16 2.864 0.142 -36.882 115 H ASP 17 H ASP 17 -1.050 -2.606 -35.069 116 HA ASP 17 HA ASP 17 -2.884 -1.489 -36.994 117 HB2 ASP 17 2HB ASP 17 -2.740 -3.926 -36.654 118 HB3 ASP 17 3HB ASP 17 -3.287 -3.727 -34.996 119 H GLU 18 H GLU 18 -2.294 -1.286 -33.590 120 HA GLU 18 HA GLU 18 -4.521 0.604 -33.347 121 HB2 GLU 18 2HB GLU 18 -3.963 -1.485 -31.242 122 HB3 GLU 18 3HB GLU 18 -5.295 -0.334 -31.284 123 HG2 GLU 18 2HG GLU 18 -6.491 -1.982 -32.163 124 HG3 GLU 18 3HG GLU 18 -5.602 -1.677 -33.650 125 HA PRO 19 HA PRO 19 -0.510 2.185 -31.598 126 HB2 PRO 19 2HB PRO 19 -0.633 4.589 -32.846 127 HB3 PRO 19 3HB PRO 19 0.077 3.157 -33.590 128 HG2 PRO 19 2HG PRO 19 -2.653 4.330 -33.974 129 HG3 PRO 19 3HG PRO 19 -1.523 3.682 -35.183 130 HD2 PRO 19 2HD PRO 19 -3.635 2.264 -34.244 131 HD3 PRO 19 3HD PRO 19 -2.116 1.503 -34.749 132 H TRP 20 H TRP 20 -3.799 2.936 -31.459 133 HA TRP 20 HA TRP 20 -3.618 5.321 -29.876 134 HB2 TRP 20 2HB TRP 20 -5.710 3.722 -31.088 135 HB3 TRP 20 3HB TRP 20 -6.128 4.136 -29.428 136 HD1 TRP 20 HD1 TRP 20 -6.416 6.763 -28.852 137 HE1 TRP 20 HE1 TRP 20 -6.954 8.775 -30.357 138 HE3 TRP 20 HE3 TRP 20 -5.340 4.679 -33.394 139 HZ2 TRP 20 HZ2 TRP 20 -6.918 9.405 -33.116 140 HZ3 TRP 20 HZ3 TRP 20 -5.617 6.053 -35.423 141 HH2 TRP 20 HH2 TRP 20 -6.399 8.365 -35.276 142 H ARG 21 H ARG 21 -2.761 2.251 -29.193 143 HA ARG 21 HA ARG 21 -3.337 2.597 -26.331 144 HB2 ARG 21 2HB ARG 21 -3.554 0.136 -26.137 145 HB3 ARG 21 3HB ARG 21 -4.804 0.853 -27.144 146 HG2 ARG 21 2HG ARG 21 -4.041 -0.135 -29.047 147 HG3 ARG 21 3HG ARG 21 -2.367 -0.157 -28.480 148 HD2 ARG 21 2HD ARG 21 -2.847 -2.381 -28.316 149 HD3 ARG 21 3HD ARG 21 -3.365 -1.846 -26.713 150 HE ARG 21 HE ARG 21 -5.625 -1.611 -28.146 151 HH11 ARG 21 1HH1 ARG 21 -3.326 -4.200 -27.822 152 HH12 ARG 21 2HH1 ARG 21 -4.500 -5.448 -28.077 153 HH21 ARG 21 1HH2 ARG 21 -7.181 -3.239 -28.489 154 HH22 ARG 21 2HH2 ARG 21 -6.691 -4.904 -28.458 155 H VAL 22 H VAL 22 -0.992 2.882 -28.381 156 HA VAL 22 HA VAL 22 1.031 1.080 -27.699 157 HB VAL 22 HB VAL 22 1.138 3.925 -28.661 158 HG11 VAL 22 1HG1 VAL 22 3.128 3.719 -27.396 159 HG12 VAL 22 2HG1 VAL 22 3.429 2.091 -28.013 160 HG13 VAL 22 3HG1 VAL 22 3.576 3.480 -29.085 161 HG21 VAL 22 3HG2 VAL 22 0.540 1.644 -29.994 162 HG22 VAL 22 1HG2 VAL 22 1.271 3.059 -30.735 163 HG23 VAL 22 2HG2 VAL 22 2.287 1.712 -30.225 164 H GLN 23 H GLN 23 0.034 4.102 -26.180 165 HA GLN 23 HA GLN 23 2.133 4.449 -24.390 166 HB2 GLN 23 2HB GLN 23 -0.130 5.799 -24.889 167 HB3 GLN 23 3HB GLN 23 -0.594 5.023 -23.379 168 HG2 GLN 23 2HG GLN 23 2.025 6.114 -23.106 169 HG3 GLN 23 3HG GLN 23 0.948 7.347 -23.747 170 HE21 GLN 23 1HE2 GLN 23 -0.982 7.830 -22.566 171 HE22 GLN 23 2HE2 GLN 23 -1.024 7.601 -20.855 172 H GLU 24 H GLU 24 -0.916 2.678 -23.890 173 HA GLU 24 HA GLU 24 -0.465 1.822 -21.293 174 HB2 GLU 24 2HB GLU 24 -2.566 1.574 -22.744 175 HB3 GLU 24 3HB GLU 24 -1.820 0.105 -23.361 176 HG2 GLU 24 2HG GLU 24 -1.585 -0.301 -20.698 177 HG3 GLU 24 3HG GLU 24 -3.078 0.627 -20.769 178 H CYS 25 H CYS 25 0.786 0.581 -24.315 179 HA CYS 25 HA CYS 25 1.818 -1.850 -23.204 180 HB2 CYS 25 2HB CYS 25 1.328 -1.801 -25.558 181 HB3 CYS 25 3HB CYS 25 2.354 -0.397 -25.810 182 H VAL 26 H VAL 26 3.217 1.297 -24.086 183 HA VAL 26 HA VAL 26 5.880 0.658 -23.412 184 HB VAL 26 HB VAL 26 4.490 3.332 -23.516 185 HG11 VAL 26 1HG1 VAL 26 7.424 2.688 -23.265 186 HG12 VAL 26 2HG1 VAL 26 6.776 4.277 -23.664 187 HG13 VAL 26 3HG1 VAL 26 6.413 3.553 -22.105 188 HG21 VAL 26 3HG2 VAL 26 4.731 1.866 -25.617 189 HG22 VAL 26 1HG2 VAL 26 5.277 3.536 -25.704 190 HG23 VAL 26 2HG2 VAL 26 6.453 2.244 -25.503 191 H SER 27 H SER 27 3.239 2.108 -21.563 192 HA SER 27 HA SER 27 4.583 2.884 -19.291 193 HB2 SER 27 2HB SER 27 1.907 2.636 -20.054 194 HB3 SER 27 3HB SER 27 2.054 1.641 -18.599 195 HG SER 27 HG SER 27 2.249 4.384 -18.910 196 H GLN 28 H GLN 28 3.469 -0.328 -20.212 197 HA GLN 28 HA GLN 28 4.151 -1.540 -17.716 198 HB2 GLN 28 2HB GLN 28 3.527 -2.711 -20.435 199 HB3 GLN 28 3HB GLN 28 3.821 -3.684 -18.999 200 HG2 GLN 28 2HG GLN 28 1.887 -1.820 -18.244 201 HG3 GLN 28 3HG GLN 28 1.419 -2.360 -19.854 202 HE21 GLN 28 1HE2 GLN 28 -0.346 -3.530 -19.221 203 HE22 GLN 28 2HE2 GLN 28 -0.232 -4.989 -18.298 204 H CYS 29 H CYS 29 5.601 -1.640 -20.971 205 HA CYS 29 HA CYS 29 7.804 -3.221 -20.382 206 HB2 CYS 29 2HB CYS 29 7.179 -2.613 -22.670 207 HB3 CYS 29 3HB CYS 29 7.616 -0.939 -22.358 208 H ARG 30 H ARG 30 7.646 0.346 -20.439 209 HA ARG 30 HA ARG 30 10.248 0.803 -19.495 210 HB2 ARG 30 2HB ARG 30 9.068 2.609 -20.499 211 HB3 ARG 30 3HB ARG 30 7.738 2.465 -19.368 212 HG2 ARG 30 2HG ARG 30 8.994 3.386 -17.612 213 HG3 ARG 30 3HG ARG 30 10.507 3.181 -18.481 214 HD2 ARG 30 2HD ARG 30 8.689 4.783 -20.019 215 HD3 ARG 30 3HD ARG 30 8.865 5.457 -18.401 216 HE ARG 30 HE ARG 30 10.823 5.443 -20.491 217 HH11 ARG 30 1HH1 ARG 30 10.393 5.390 -17.031 218 HH12 ARG 30 2HH1 ARG 30 11.940 6.102 -16.702 219 HH21 ARG 30 1HH2 ARG 30 12.856 6.373 -20.070 220 HH22 ARG 30 2HH2 ARG 30 13.341 6.667 -18.431 221 H ARG 31 H ARG 31 7.213 0.238 -17.802 222 HA ARG 31 HA ARG 31 7.947 0.995 -15.233 223 HB2 ARG 31 2HB ARG 31 5.922 -0.738 -16.435 224 HB3 ARG 31 3HB ARG 31 6.371 -1.233 -14.819 225 HG2 ARG 31 2HG ARG 31 5.571 1.581 -15.493 226 HG3 ARG 31 3HG ARG 31 4.412 0.343 -15.000 227 HD2 ARG 31 2HD ARG 31 6.362 0.120 -13.082 228 HD3 ARG 31 3HD ARG 31 6.330 1.862 -13.405 229 HE ARG 31 HE ARG 31 3.699 1.092 -13.121 230 HH11 ARG 31 1HH1 ARG 31 6.581 1.031 -11.170 231 HH12 ARG 31 2HH1 ARG 31 5.730 1.176 -9.665 232 HH21 ARG 31 1HH2 ARG 31 2.564 1.282 -11.148 233 HH22 ARG 31 2HH2 ARG 31 3.440 1.318 -9.663 234 H ARG 32 H ARG 32 9.366 0.248 -13.800 235 HA ARG 32 HA ARG 32 10.921 -1.044 -12.770 236 HB2 ARG 32 2HB ARG 32 9.554 -3.424 -14.021 237 HB3 ARG 32 3HB ARG 32 10.493 -3.379 -12.539 238 HG2 ARG 32 2HG ARG 32 8.672 -1.741 -11.721 239 HG3 ARG 32 3HG ARG 32 7.715 -2.413 -13.040 240 HD2 ARG 32 2HD ARG 32 7.873 -4.613 -12.130 241 HD3 ARG 32 3HD ARG 32 9.084 -4.102 -10.956 242 HE ARG 32 HE ARG 32 6.751 -2.597 -10.545 243 HH11 ARG 32 1HH1 ARG 32 7.882 -5.883 -10.251 244 HH12 ARG 32 2HH1 ARG 32 6.803 -6.281 -8.965 245 HH21 ARG 32 1HH2 ARG 32 5.319 -3.111 -8.843 246 HH22 ARG 32 2HH2 ARG 32 5.347 -4.708 -8.159 247 H ARG 33 H ARG 33 12.323 -0.007 -14.455 248 HA ARG 33 HA ARG 33 13.233 -1.826 -16.551 249 HB2 ARG 33 2HB ARG 33 14.557 0.075 -17.340 250 HB3 ARG 33 3HB ARG 33 12.871 0.527 -17.134 251 HG2 ARG 33 2HG ARG 33 13.497 1.491 -14.909 252 HG3 ARG 33 3HG ARG 33 15.193 1.215 -15.346 253 HD2 ARG 33 2HD ARG 33 14.413 2.505 -17.537 254 HD3 ARG 33 3HD ARG 33 13.237 3.177 -16.411 255 HE ARG 33 HE ARG 33 15.606 3.456 -15.116 256 HH11 ARG 33 1HH1 ARG 33 14.462 4.370 -18.268 257 HH12 ARG 33 2HH1 ARG 33 15.496 5.754 -18.385 258 HH21 ARG 33 1HH2 ARG 33 16.970 5.275 -15.244 259 HH22 ARG 33 2HH2 ARG 33 16.916 6.280 -16.662 260 H GLY 34 H GLY 34 13.757 -2.786 -14.010 261 HA2 GLY 34 2HA GLY 34 16.698 -2.518 -13.898 262 HA3 GLY 34 3HA GLY 34 15.732 -2.566 -12.429 263 H GLY 35 H GLY 35 13.905 -4.575 -13.177 264 HA2 GLY 35 2HA GLY 35 15.412 -6.886 -12.507 265 HA3 GLY 35 3HA GLY 35 13.720 -6.854 -12.973 266 H GLY 36 H GLY 36 14.573 -5.449 -15.541 267 HA2 GLY 36 2HA GLY 36 16.292 -6.955 -17.086 268 HA3 GLY 36 3HA GLY 36 14.759 -7.825 -17.117 269 H ASP 37 H ASP 37 14.898 -7.377 -19.445 270 HA ASP 37 HA ASP 37 13.563 -4.838 -20.046 271 HB2 ASP 37 2HB ASP 37 16.020 -4.593 -20.512 272 HB3 ASP 37 3HB ASP 37 15.870 -5.879 -21.707
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:24:28 AM GMT (wattos1)