Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8k6y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 1.A OG no hydrogen 2.993 N/A TYR 4.A OH LEU 400.A O no hydrogen 3.056 N/A ALA 6.A N ARG 2.A O no hydrogen 3.171 N/A TYR 7.A N VAL 3.A O no hydrogen 2.967 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.519 N/A LYS 10.A NZ TYR 83.A OH no hydrogen 3.179 N/A LYS 10.A NZ ASN 399.A O no hydrogen 2.838 N/A LYS 10.A NZ ALA 494.A O no hydrogen 2.894 N/A LYS 11.A N PRO 8.A O no hydrogen 3.020 N/A LYS 11.A NZ TYR 15.A OH no hydrogen 3.523 N/A ALA 12.A N PRO 8.A O no hydrogen 3.266 N/A THR 13.A N GLU 9.A O no hydrogen 2.744 N/A THR 13.A OG1 GLU 9.A O no hydrogen 2.755 N/A LEU 14.A N LYS 10.A O no hydrogen 3.271 N/A TYR 15.A N LYS 11.A O no hydrogen 3.198 N/A PHE 16.A N ALA 12.A O no hydrogen 3.283 N/A LEU 17.A N THR 13.A O no hydrogen 2.975 N/A VAL 18.A N LEU 14.A O no hydrogen 3.056 N/A LEU 19.A N TYR 15.A O no hydrogen 3.275 N/A GLY 20.A N PHE 16.A O no hydrogen 3.163 N/A PHE 21.A N LEU 17.A O no hydrogen 2.937 N/A LEU 22.A N VAL 18.A O no hydrogen 2.831 N/A ALA 23.A N LEU 19.A O no hydrogen 2.980 N/A LEU 24.A N GLY 20.A O no hydrogen 2.991 N/A ILE 25.A N PHE 21.A O no hydrogen 2.965 N/A VAL 26.A N LEU 22.A O no hydrogen 3.185 N/A GLY 27.A N ALA 23.A O no hydrogen 2.726 N/A SER 28.A N LEU 24.A O no hydrogen 2.938 N/A SER 28.A OG LEU 24.A O no hydrogen 2.273 N/A LEU 29.A N ILE 25.A O no hydrogen 3.172 N/A GLY 31.A N SER 28.A O no hydrogen 3.035 N/A GLN 34.A N PHE 30.A O no hydrogen 3.092 N/A ALA 35.A N GLY 31.A O no hydrogen 2.910 N/A LEU 36.A N PRO 32.A O no hydrogen 2.913 N/A ASN 37.A N PHE 33.A O no hydrogen 2.993 N/A ASN 37.A ND2 ALA 443.A O no hydrogen 3.029 N/A TYR 38.A N GLN 34.A O no hydrogen 3.050 N/A TYR 38.A OH PRO 440.A O no hydrogen 2.406 N/A GLY 39.A N ALA 35.A O no hydrogen 2.901 N/A GLY 39.A N LEU 36.A O no hydrogen 2.769 N/A ASN 40.A N ASN 37.A O no hydrogen 2.841 N/A ASN 40.A ND2 PRO 449.A O no hydrogen 3.305 N/A VAL 41.A N LEU 36.A O no hydrogen 3.007 N/A TYR 44.A N ASP 42.A OD1 no hydrogen 3.009 N/A LEU 46.A N ALA 43.A O no hydrogen 3.123 N/A LEU 47.A N ALA 43.A O no hydrogen 3.273 N/A LYS 48.A N TYR 44.A O no hydrogen 3.167 N/A LYS 48.A NZ GLN 55.A O no hydrogen 3.014 N/A LEU 50.A N LEU 46.A O no hydrogen 3.464 N/A VAL 54.A N LEU 51.A O no hydrogen 3.073 N/A GLN 55.A N GLN 59.A OE1 no hydrogen 2.893 N/A GLN 55.A NE2 PHE 53.A O no hydrogen 3.262 N/A TYR 58.A N SER 56.A OG no hydrogen 2.955 N/A GLN 59.A N SER 56.A OG no hydrogen 2.913 N/A GLN 59.A NE2 PHE 53.A O no hydrogen 3.682 N/A GLN 59.A NE2 LEU 116.A O no hydrogen 2.773 N/A GLN 59.A NE2 LEU 117.A O no hydrogen 2.960 N/A GLY 60.A N SER 56.A O no hydrogen 3.478 N/A LEU 61.A N TYR 57.A O no hydrogen 3.168 N/A THR 62.A N TYR 58.A O no hydrogen 3.136 N/A THR 62.A OG1 TYR 58.A O no hydrogen 2.789 N/A LEU 63.A N GLN 59.A O no hydrogen 2.944 N/A HIS 64.A N GLY 60.A O no hydrogen 2.766 N/A HIS 64.A ND1 GLY 27.A O no hydrogen 2.856 N/A GLY 65.A N LEU 61.A O no hydrogen 3.086 N/A VAL 66.A N THR 62.A O no hydrogen 3.209 N/A LEU 67.A N LEU 63.A O no hydrogen 2.914 N/A ASN 68.A N HIS 64.A O no hydrogen 2.966 N/A ALA 69.A N GLY 65.A O no hydrogen 2.788 N/A ILE 70.A N VAL 66.A O no hydrogen 3.196 N/A VAL 71.A N VAL 66.A O no hydrogen 3.190 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.593 N/A THR 73.A OG1 ILE 70.A O no hydrogen 3.145 N/A GLN 74.A N ILE 70.A O no hydrogen 3.312 N/A GLN 74.A NE2 GLN 78.A OE1 no hydrogen 3.197 N/A GLN 74.A NE2 PHE 144.A O no hydrogen 3.037 N/A LEU 75.A N VAL 71.A O no hydrogen 2.861 N/A PHE 76.A N PHE 72.A O no hydrogen 3.146 N/A ALA 77.A N THR 73.A O no hydrogen 2.993 N/A GLN 78.A N GLN 74.A O no hydrogen 2.921 N/A GLN 78.A NE2 SER 147.A OG no hydrogen 3.192 N/A GLN 78.A NE2 SER 151.A OG no hydrogen 2.899 N/A ALA 79.A N LEU 75.A O no hydrogen 3.095 N/A ILE 80.A N PHE 76.A O no hydrogen 2.985 N/A MET 81.A N ALA 77.A O no hydrogen 3.058 N/A TYR 83.A N ALA 79.A O no hydrogen 3.205 N/A TYR 83.A OH ASN 399.A OD1 no hydrogen 2.763 N/A LEU 84.A N ILE 80.A O no hydrogen 3.029 N/A ALA 86.A N VAL 82.A O no hydrogen 3.172 N/A ARG 87.A N TYR 83.A O no hydrogen 3.025 N/A ARG 87.A N LEU 84.A O no hydrogen 2.819 N/A ARG 87.A NH2 ASN 90.A OD1 no hydrogen 3.304 N/A GLU 88.A N LEU 84.A O no hydrogen 2.821 N/A LEU 89.A N PRO 85.A O no hydrogen 3.236 N/A MET 91.A N ALA 86.A O no hydrogen 2.915 N/A ARG 92.A NH1 ALA 6.A O no hydrogen 2.735 N/A LEU 97.A N ASN 94.A OD1 no hydrogen 2.877 N/A MET 98.A N ASN 94.A O no hydrogen 3.204 N/A TRP 99.A N MET 95.A O no hydrogen 3.046 N/A LEU 100.A N GLY 96.A O no hydrogen 3.132 N/A SER 101.A N LEU 97.A O no hydrogen 2.637 N/A SER 101.A OG LEU 97.A O no hydrogen 3.465 N/A SER 101.A OG MET 98.A O no hydrogen 2.614 N/A TRP 102.A N MET 98.A O no hydrogen 3.127 N/A TRP 103.A N TRP 99.A O no hydrogen 2.892 N/A MET 104.A N LEU 100.A O no hydrogen 3.056 N/A ALA 105.A N SER 101.A O no hydrogen 3.089 N/A PHE 106.A N TRP 102.A O no hydrogen 2.935 N/A ILE 107.A N TRP 103.A O no hydrogen 2.849 N/A GLY 108.A N MET 104.A O no hydrogen 3.018 N/A LEU 109.A N ALA 105.A O no hydrogen 2.927 N/A VAL 110.A N PHE 106.A O no hydrogen 3.054 N/A VAL 111.A N ILE 107.A O no hydrogen 2.944 N/A ALA 112.A N GLY 108.A O no hydrogen 2.983 N/A ALA 113.A N LEU 109.A O no hydrogen 2.973 N/A LEU 117.A N ALA 113.A O no hydrogen 3.013 N/A ALA 118.A N LEU 114.A O no hydrogen 3.030 N/A GLU 120.A N PRO 115.A O no hydrogen 2.800 N/A THR 122.A OG1 ASN 119.A OD1 no hydrogen 2.821 N/A LEU 124.A N THR 62.A OG1 no hydrogen 3.072 N/A PHE 127.A N LEU 124.A O no hydrogen 3.219 N/A LYS 132.A N TRP 551.A O no hydrogen 3.139 N/A LYS 132.A NZ TRP 203.A O no hydrogen 3.258 N/A GLY 133.A N TYR 138.A OH no hydrogen 3.379 N/A HIS 134.A N GLU 120.A O no hydrogen 2.728 N/A ALA 136.A N HIS 134.A ND1 no hydrogen 3.076 N/A PHE 137.A N HIS 134.A O no hydrogen 3.120 N/A LEU 139.A N TRP 135.A O no hydrogen 3.131 N/A GLY 140.A N ALA 136.A O no hydrogen 2.609 N/A ALA 141.A N PHE 137.A O no hydrogen 2.881 N/A SER 142.A N TYR 138.A O no hydrogen 3.214 N/A SER 142.A OG TYR 138.A O no hydrogen 2.974 N/A VAL 143.A N LEU 139.A O no hydrogen 3.298 N/A PHE 144.A N GLY 140.A O no hydrogen 3.109 N/A VAL 145.A N ALA 141.A O no hydrogen 3.038 N/A LEU 146.A N SER 142.A O no hydrogen 3.153 N/A SER 147.A N VAL 143.A O no hydrogen 3.250 N/A SER 147.A N PHE 144.A O no hydrogen 3.239 N/A SER 147.A OG SER 101.A O no hydrogen 2.965 N/A THR 148.A N VAL 145.A O no hydrogen 2.934 N/A THR 148.A OG1 VAL 145.A O no hydrogen 2.373 N/A TRP 149.A N LEU 146.A O no hydrogen 2.885 N/A SER 151.A N SER 147.A O no hydrogen 3.422 N/A ILE 152.A N THR 148.A O no hydrogen 2.883 N/A TYR 153.A N TRP 149.A O no hydrogen 3.261 N/A ILE 154.A N VAL 150.A O no hydrogen 3.054 N/A VAL 155.A N SER 151.A O no hydrogen 3.186 N/A LEU 156.A N ILE 152.A O no hydrogen 3.038 N/A ASP 157.A N TYR 153.A O no hydrogen 2.830 N/A LEU 158.A N ILE 154.A O no hydrogen 3.091 N/A TRP 159.A N VAL 155.A O no hydrogen 3.024 N/A TRP 159.A NE1 THR 171.A OG1 no hydrogen 3.028 N/A ARG 160.A N LEU 156.A O no hydrogen 2.875 N/A ARG 161.A N ASP 157.A O no hydrogen 2.897 N/A ARG 161.A NH1 ARG 92.A O no hydrogen 2.765 N/A ARG 161.A NH2 ARG 92.A O no hydrogen 3.115 N/A ARG 161.A NH2 ASP 157.A OD2 no hydrogen 2.997 N/A TRP 162.A N LEU 158.A O no hydrogen 2.861 N/A LYS 163.A N TRP 159.A O no hydrogen 2.784 N/A LYS 163.A NZ LYS 169.A O no hydrogen 3.114 N/A LYS 163.A NZ ASP 517.A OD2 no hydrogen 3.448 N/A ALA 164.A N ARG 160.A O no hydrogen 3.005 N/A ALA 165.A N TRP 162.A O no hydrogen 3.206 N/A ASN 166.A N LYS 163.A O no hydrogen 3.153 N/A ASN 166.A ND2 TRP 162.A O no hydrogen 2.722 N/A LYS 169.A N ASN 166.A O no hydrogen 3.116 N/A LYS 169.A NZ ASN 166.A OD1 no hydrogen 3.235 N/A THR 171.A N ASP 517.A OD2 no hydrogen 2.854 N/A THR 171.A OG1 ASP 517.A OD1 no hydrogen 3.070 N/A THR 171.A OG1 ASP 517.A OD2 no hydrogen 3.064 N/A VAL 174.A N GLU 88.A OE1 no hydrogen 3.264 N/A THR 175.A N GLU 88.A OE2 no hydrogen 2.846 N/A THR 175.A OG1 GLU 88.A OE2 no hydrogen 2.798 N/A TYR 176.A N PRO 172.A O no hydrogen 2.864 N/A TYR 176.A OH MET 516.A O no hydrogen 2.843 N/A MET 177.A N LEU 173.A O no hydrogen 3.165 N/A ALA 178.A N VAL 174.A O no hydrogen 3.167 N/A VAL 179.A N THR 175.A O no hydrogen 2.971 N/A VAL 180.A N TYR 176.A O no hydrogen 3.217 N/A PHE 181.A N MET 177.A O no hydrogen 3.020 N/A TRP 182.A N ALA 178.A O no hydrogen 2.793 N/A TRP 182.A NE1 MET 81.A O no hydrogen 3.360 N/A LEU 183.A N VAL 179.A O no hydrogen 3.078 N/A MET 184.A N VAL 180.A O no hydrogen 3.120 N/A TRP 185.A N PHE 181.A O no hydrogen 3.187 N/A TRP 185.A NE1 THR 148.A OG1 no hydrogen 3.158 N/A PHE 186.A N TRP 182.A O no hydrogen 3.146 N/A LEU 187.A N LEU 183.A O no hydrogen 3.406 N/A ALA 188.A N MET 184.A O no hydrogen 3.018 N/A ALA 188.A N TRP 185.A O no hydrogen 3.171 N/A SER 189.A N TRP 185.A O no hydrogen 2.964 N/A SER 189.A OG TRP 185.A O no hydrogen 2.761 N/A SER 189.A OG PHE 186.A O no hydrogen 3.099 N/A LEU 192.A N THR 223.A OG1 no hydrogen 2.991 N/A VAL 193.A N SER 189.A O no hydrogen 3.229 N/A LEU 194.A N LEU 190.A O no hydrogen 2.752 N/A GLU 195.A N GLY 191.A O no hydrogen 2.589 N/A ALA 196.A N LEU 192.A O no hydrogen 2.572 N/A VAL 197.A N VAL 193.A O no hydrogen 3.120 N/A LEU 198.A N LEU 194.A O no hydrogen 3.278 N/A LEU 200.A N GLU 195.A O no hydrogen 3.191 N/A LEU 201.A N ALA 196.A O no hydrogen 3.089 N/A TRP 203.A N PHE 199.A O no hydrogen 3.135 N/A TRP 203.A N LEU 200.A O no hydrogen 2.958 N/A SER 204.A N LEU 200.A O no hydrogen 2.868 N/A SER 204.A OG LEU 201.A O no hydrogen 3.206 N/A PHE 205.A N LEU 201.A O no hydrogen 2.910 N/A GLY 206.A N TRP 203.A O no hydrogen 2.774 N/A LEU 207.A N PRO 202.A O no hydrogen 2.782 N/A VAL 208.A N PRO 202.A O no hydrogen 3.360 N/A VAL 211.A N VAL 548.A O no hydrogen 3.107 N/A LEU 214.A N ASP 212.A OD1 no hydrogen 2.675 N/A VAL 215.A N ASP 212.A OD1 no hydrogen 3.109 N/A ALA 216.A N ASP 212.A O no hydrogen 3.380 N/A ARG 217.A N PRO 213.A O no hydrogen 3.216 N/A ARG 217.A NE ASP 279.A OD2 no hydrogen 2.661 N/A ARG 217.A NH2 ASP 279.A OD1 no hydrogen 2.822 N/A THR 218.A N LEU 214.A O no hydrogen 3.288 N/A THR 218.A OG1 LEU 214.A O no hydrogen 2.418 N/A LEU 219.A N VAL 215.A O no hydrogen 2.995 N/A PHE 220.A N ALA 216.A O no hydrogen 2.791 N/A TRP 221.A N ARG 217.A O no hydrogen 2.744 N/A TRP 222.A N LEU 219.A O no hydrogen 3.156 N/A TRP 222.A NE1 LEU 187.A O no hydrogen 3.087 N/A THR 223.A OG1 ALA 188.A O no hydrogen 2.816 N/A ILE 227.A N THR 223.A O no hydrogen 2.891 N/A VAL 228.A N HIS 225.A O no hydrogen 2.837 N/A TYR 229.A N PRO 226.A O no hydrogen 3.264 N/A PHE 230.A N PRO 226.A O no hydrogen 3.159 N/A TRP 231.A N ILE 227.A O no hydrogen 3.142 N/A LEU 232.A N VAL 228.A O no hydrogen 3.295 N/A LEU 233.A N TYR 229.A O no hydrogen 3.068 N/A TYR 236.A N LEU 232.A O no hydrogen 3.055 N/A TYR 236.A OH SER 301.A OG no hydrogen 2.829 N/A ALA 237.A N LEU 233.A O no hydrogen 2.690 N/A ILE 238.A N PRO 234.A O no hydrogen 3.145 N/A ILE 239.A N ALA 235.A O no hydrogen 2.958 N/A TYR 240.A N TYR 236.A O no hydrogen 2.987 N/A TYR 240.A OH THR 304.A OG1 no hydrogen 2.824 N/A THR 241.A N ALA 237.A O no hydrogen 2.913 N/A THR 241.A N ILE 238.A O no hydrogen 3.149 N/A THR 241.A OG1 ALA 237.A O no hydrogen 3.059 N/A ILE 242.A N ILE 238.A O no hydrogen 2.735 N/A LEU 243.A N ILE 238.A O no hydrogen 3.065 N/A LYS 245.A N ILE 242.A O no hydrogen 3.361 N/A ALA 247.A N LEU 243.A O no hydrogen 3.016 N/A ALA 247.A N PRO 244.A O no hydrogen 3.345 N/A GLY 248.A N PRO 244.A O no hydrogen 3.167 N/A GLY 249.A N PRO 244.A O no hydrogen 2.831 N/A LYS 250.A NZ GLU 502.A OE1 no hydrogen 3.206 N/A LEU 251.A N GLU 502.A O no hydrogen 3.180 N/A VAL 252.A N SER 311.A OG no hydrogen 3.240 N/A MET 256.A N SER 253.A OG no hydrogen 2.992 N/A ALA 257.A N SER 253.A O no hydrogen 3.231 N/A ARG 258.A N ASP 254.A O no hydrogen 3.003 N/A ARG 258.A NE ASP 254.A OD1 no hydrogen 2.827 N/A ARG 258.A NH1 THR 171.A O no hydrogen 2.581 N/A ARG 258.A NH2 THR 171.A O no hydrogen 2.633 N/A ARG 258.A NH2 ASP 254.A OD2 no hydrogen 3.441 N/A LEU 259.A N PRO 255.A O no hydrogen 3.068 N/A ALA 260.A N MET 256.A O no hydrogen 3.333 N/A PHE 261.A N ALA 257.A O no hydrogen 3.400 N/A LEU 262.A N ARG 258.A O no hydrogen 2.955 N/A LEU 263.A N LEU 259.A O no hydrogen 2.994 N/A PHE 264.A N ALA 260.A O no hydrogen 3.311 N/A PHE 264.A N PHE 261.A O no hydrogen 3.054 N/A LEU 265.A N PHE 261.A O no hydrogen 3.128 N/A LEU 266.A N LEU 262.A O no hydrogen 3.314 N/A LEU 267.A N PHE 264.A O no hydrogen 3.421 N/A SER 268.A N PHE 264.A O no hydrogen 3.050 N/A SER 268.A OG PHE 264.A O no hydrogen 2.864 N/A VAL 271.A N THR 269.A O no hydrogen 2.975 N/A PHE 273.A N HIS 290.A ND1 no hydrogen 3.172 N/A HIS 274.A N VAL 271.A O no hydrogen 3.250 N/A HIS 274.A ND1 THR 294.A OG1 no hydrogen 3.018 N/A HIS 275.A N GLY 272.A O no hydrogen 2.662 N/A GLN 276.A N PHE 273.A O no hydrogen 2.749 N/A GLN 276.A NE2 THR 218.A OG1 no hydrogen 3.174 N/A GLN 276.A NE2 ASP 279.A OD2 no hydrogen 3.294 N/A ASP 279.A N GLN 276.A O no hydrogen 3.016 N/A THR 285.A N ASP 283.A OD1 no hydrogen 3.163 N/A LYS 287.A N ASP 283.A O no hydrogen 2.943 N/A LYS 287.A NZ PHE 277.A O no hydrogen 2.549 N/A LYS 287.A NZ ASP 279.A O no hydrogen 2.653 N/A MET 288.A N PRO 284.A O no hydrogen 3.150 N/A ILE 289.A N THR 285.A O no hydrogen 2.942 N/A HIS 290.A N TRP 286.A O no hydrogen 3.054 N/A HIS 290.A NE2 ALA 533.A O no hydrogen 3.240 N/A SER 291.A N LYS 287.A O no hydrogen 2.918 N/A SER 291.A OG ALA 359.A O no hydrogen 3.096 N/A VAL 292.A N MET 288.A O no hydrogen 2.995 N/A LEU 293.A N ILE 289.A O no hydrogen 3.202 N/A THR 294.A N HIS 290.A O no hydrogen 2.905 N/A THR 294.A N SER 291.A O no hydrogen 3.076 N/A THR 294.A OG1 HIS 274.A ND1 no hydrogen 3.018 N/A THR 294.A OG1 HIS 290.A O no hydrogen 2.704 N/A LEU 295.A N SER 291.A O no hydrogen 3.113 N/A PHE 296.A N VAL 292.A O no hydrogen 3.257 N/A VAL 297.A N LEU 293.A O no hydrogen 3.298 N/A ALA 298.A N LEU 295.A O no hydrogen 3.257 N/A VAL 299.A N PHE 296.A O no hydrogen 2.731 N/A SER 301.A OG TYR 236.A OH no hydrogen 2.829 N/A LEU 302.A N ALA 298.A O no hydrogen 3.004 N/A MET 303.A N VAL 299.A O no hydrogen 2.825 N/A THR 304.A N PRO 300.A O no hydrogen 2.653 N/A THR 304.A OG1 TYR 240.A OH no hydrogen 2.824 N/A THR 304.A OG1 PRO 300.A O no hydrogen 2.801 N/A ALA 305.A N SER 301.A O no hydrogen 2.928 N/A THR 307.A N MET 303.A O no hydrogen 3.145 N/A THR 307.A OG1 MET 303.A O no hydrogen 3.405 N/A VAL 308.A N THR 304.A O no hydrogen 2.999 N/A ALA 309.A N ALA 305.A O no hydrogen 3.173 N/A ALA 310.A N PHE 306.A O no hydrogen 3.135 N/A SER 311.A N THR 307.A O no hydrogen 3.097 N/A SER 311.A OG LYS 250.A O no hydrogen 3.328 N/A SER 311.A OG THR 307.A O no hydrogen 3.320 N/A LEU 312.A N VAL 308.A O no hydrogen 2.925 N/A GLU 313.A N ALA 309.A O no hydrogen 2.972 N/A PHE 314.A N ALA 310.A O no hydrogen 2.965 N/A ALA 315.A N SER 311.A O no hydrogen 3.036 N/A GLY 316.A N LEU 312.A O no hydrogen 2.988 N/A ARG 317.A N GLU 313.A O no hydrogen 3.112 N/A ARG 317.A N PHE 314.A O no hydrogen 2.802 N/A ARG 317.A NE GLU 313.A OE1 no hydrogen 2.911 N/A ARG 317.A NH1 GLU 313.A OE1 no hydrogen 2.909 N/A ARG 317.A NH1 GLY 323.A O no hydrogen 2.454 N/A ARG 317.A NH2 GLY 323.A O no hydrogen 2.931 N/A LEU 318.A N PHE 314.A O no hydrogen 3.214 N/A ARG 319.A N GLY 316.A O no hydrogen 3.092 N/A ARG 319.A NE ALA 330.A O no hydrogen 2.992 N/A GLY 320.A N ARG 317.A O no hydrogen 2.980 N/A GLY 321.A N GLY 316.A O no hydrogen 3.121 N/A TRP 327.A NE1 LEU 324.A O no hydrogen 2.997 N/A ILE 328.A N PHE 325.A O no hydrogen 3.313 N/A LEU 331.A N ILE 328.A O no hydrogen 3.461 N/A TRP 333.A N LEU 331.A O no hydrogen 3.090 N/A TRP 333.A NE1 ILE 328.A O no hydrogen 2.790 N/A ASN 335.A N PRO 332.A O no hydrogen 3.146 N/A ALA 337.A N ASN 335.A OD1 no hydrogen 2.917 N/A PHE 338.A N ASN 335.A O no hydrogen 2.980 N/A VAL 339.A N ASN 335.A O no hydrogen 3.144 N/A ALA 340.A N PRO 336.A O no hydrogen 3.226 N/A LEU 343.A N VAL 339.A O no hydrogen 2.831 N/A GLY 344.A N ALA 340.A O no hydrogen 3.066 N/A LEU 345.A N PRO 341.A O no hydrogen 2.794 N/A LEU 346.A N VAL 342.A O no hydrogen 2.992 N/A GLY 347.A N LEU 343.A O no hydrogen 3.045 N/A PHE 348.A N GLY 344.A O no hydrogen 3.150 N/A ILE 349.A N LEU 346.A O no hydrogen 3.109 N/A GLY 351.A N GLY 347.A O no hydrogen 3.214 N/A GLY 352.A N PHE 348.A O no hydrogen 2.728 N/A ALA 353.A N ILE 349.A O no hydrogen 3.290 N/A GLY 354.A N PRO 350.A O no hydrogen 2.966 N/A GLY 355.A N GLY 351.A O no hydrogen 3.089 N/A ILE 356.A N GLY 352.A O no hydrogen 3.123 N/A VAL 357.A N ALA 353.A O no hydrogen 3.471 N/A ASN 358.A N GLY 354.A O no hydrogen 3.117 N/A ALA 359.A N ILE 356.A O no hydrogen 3.215 N/A SER 360.A N VAL 357.A O no hydrogen 2.850 N/A SER 360.A OG ILE 356.A O no hydrogen 2.720 N/A SER 360.A OG VAL 357.A O no hydrogen 3.546 N/A LEU 363.A N SER 360.A O no hydrogen 3.462 N/A ASP 364.A N PHE 361.A O no hydrogen 2.759 N/A TYR 365.A N THR 362.A O no hydrogen 3.026 N/A TYR 365.A OH PHE 277.A O no hydrogen 3.081 N/A VAL 366.A N LEU 363.A O no hydrogen 3.153 N/A VAL 367.A N ASP 364.A O no hydrogen 3.245 N/A HIS 368.A N ASP 364.A O no hydrogen 2.933 N/A THR 370.A N VAL 367.A O no hydrogen 2.896 N/A THR 370.A OG1 VAL 367.A O no hydrogen 2.849 N/A ALA 371.A N VAL 439.A O no hydrogen 2.770 N/A TRP 372.A N THR 370.A OG1 no hydrogen 3.085 N/A TRP 372.A NE1 ASN 358.A OD1 no hydrogen 2.838 N/A VAL 373.A N THR 370.A O no hydrogen 3.165 N/A GLY 375.A N ALA 371.A O no hydrogen 3.183 N/A HIS 376.A N TRP 372.A O no hydrogen 2.839 N/A PHE 377.A N VAL 373.A O no hydrogen 3.054 N/A HIS 378.A N PRO 374.A O no hydrogen 3.241 N/A HIS 378.A ND1 PRO 374.A O no hydrogen 2.522 N/A VAL 381.A N PHE 377.A O no hydrogen 2.913 N/A LEU 384.A N LEU 379.A O no hydrogen 3.505 N/A THR 386.A OG1 VAL 381.A O no hydrogen 2.826 N/A LEU 387.A N SER 383.A O no hydrogen 2.596 N/A THR 388.A N LEU 384.A O no hydrogen 3.017 N/A THR 388.A OG1 LEU 384.A O no hydrogen 2.843 N/A ALA 389.A N VAL 385.A O no hydrogen 3.019 N/A MET 390.A N THR 386.A O no hydrogen 2.925 N/A GLY 391.A N LEU 387.A O no hydrogen 2.949 N/A SER 392.A N THR 388.A O no hydrogen 3.240 N/A SER 392.A OG ALA 389.A O no hydrogen 3.231 N/A LEU 393.A N MET 390.A O no hydrogen 3.034 N/A TYR 394.A N GLY 391.A O no hydrogen 2.985 N/A TRP 395.A N SER 392.A O no hydrogen 3.350 N/A LEU 396.A N SER 392.A O no hydrogen 2.687 N/A LEU 397.A N LEU 393.A O no hydrogen 3.178 N/A ASN 399.A N LEU 396.A O no hydrogen 3.209 N/A ASN 399.A ND2 ALA 496.A O no hydrogen 3.071 N/A LEU 400.A N LEU 396.A O no hydrogen 3.253 N/A THR 401.A OG1 LEU 397.A O no hydrogen 2.142 N/A LYS 403.A N THR 401.A OG1 no hydrogen 3.342 N/A LYS 403.A NZ SER 486.A O no hydrogen 2.289 N/A SER 406.A N GLN 409.A OE1 no hydrogen 3.054 N/A GLN 409.A N SER 406.A OG no hydrogen 2.842 N/A ARG 410.A N SER 406.A O no hydrogen 3.065 N/A ARG 410.A NH1 ASP 407.A OD1 no hydrogen 2.504 N/A ARG 410.A NH2 ASP 334.A O no hydrogen 3.016 N/A ARG 411.A N ASP 407.A O no hydrogen 3.018 N/A ARG 411.A N ALA 408.A O no hydrogen 2.568 N/A ARG 411.A NE ASP 407.A OD2 no hydrogen 2.883 N/A ARG 411.A NH2 ASP 407.A OD2 no hydrogen 2.937 N/A LEU 412.A N ALA 408.A O no hydrogen 2.964 N/A GLY 413.A N GLN 409.A O no hydrogen 3.041 N/A LEU 414.A N ARG 410.A O no hydrogen 3.252 N/A ALA 415.A N ARG 411.A O no hydrogen 3.287 N/A VAL 416.A N LEU 412.A O no hydrogen 2.874 N/A VAL 417.A N GLY 413.A O no hydrogen 3.131 N/A TRP 418.A N LEU 414.A O no hydrogen 3.269 N/A LEU 419.A N ALA 415.A O no hydrogen 3.035 N/A TRP 420.A N VAL 416.A O no hydrogen 3.027 N/A TRP 420.A NE1 ALA 382.A O no hydrogen 2.858 N/A PHE 421.A N VAL 417.A O no hydrogen 2.785 N/A LEU 422.A N TRP 418.A O no hydrogen 2.850 N/A GLY 423.A N LEU 419.A O no hydrogen 2.937 N/A MET 424.A N TRP 420.A O no hydrogen 2.983 N/A MET 425.A N PHE 421.A O no hydrogen 3.080 N/A ILE 426.A N LEU 422.A O no hydrogen 3.151 N/A MET 427.A N GLY 423.A O no hydrogen 3.094 N/A ALA 428.A N MET 424.A O no hydrogen 3.007 N/A VAL 429.A N MET 425.A O no hydrogen 3.287 N/A GLY 430.A N ILE 426.A O no hydrogen 3.402 N/A LEU 431.A N MET 427.A O no hydrogen 2.955 N/A HIS 432.A N ALA 428.A O no hydrogen 2.806 N/A HIS 432.A ND1 ALA 428.A O no hydrogen 2.564 N/A TRP 433.A N VAL 429.A O no hydrogen 2.901 N/A ALA 434.A N GLY 430.A O no hydrogen 2.661 N/A GLY 435.A N LEU 431.A O no hydrogen 2.978 N/A LEU 436.A N HIS 432.A O no hydrogen 3.180 N/A LEU 437.A N TRP 433.A O no hydrogen 3.219 N/A LEU 437.A N ALA 434.A O no hydrogen 2.919 N/A ASN 438.A N GLY 435.A O no hydrogen 2.906 N/A VAL 439.A N ALA 434.A O no hydrogen 3.106 N/A ARG 441.A N ASN 369.A O no hydrogen 3.079 N/A ARG 442.A NH1 THR 126.A OG1 no hydrogen 3.152 N/A ARG 442.A NH2 THR 126.A OG1 no hydrogen 3.155 N/A TYR 444.A N TYR 58.A OH no hydrogen 3.020 N/A TYR 444.A OH ASP 42.A OD1 no hydrogen 2.911 N/A TYR 444.A OH GLN 447.A OE1 no hydrogen 3.269 N/A ALA 446.A N ASN 37.A OD1 no hydrogen 2.891 N/A GLN 447.A N TYR 444.A O no hydrogen 3.247 N/A VAL 448.A N ILE 445.A O no hydrogen 2.805 N/A ALA 451.A N VAL 448.A O no hydrogen 2.912 N/A ALA 455.A N TYR 452.A O no hydrogen 3.222 N/A MET 459.A N ALA 455.A O no hydrogen 3.061 N/A VAL 460.A N ALA 456.A O no hydrogen 3.309 N/A VAL 460.A N VAL 457.A O no hydrogen 2.708 N/A ASN 462.A N MET 459.A O no hydrogen 3.241 N/A ASN 462.A ND2 TYR 38.A O no hydrogen 3.324 N/A VAL 463.A N MET 459.A O no hydrogen 3.279 N/A LEU 464.A N VAL 460.A O no hydrogen 3.127 N/A ALA 465.A N PHE 461.A O no hydrogen 3.034 N/A GLY 466.A N ASN 462.A O no hydrogen 3.139 N/A ILE 467.A N VAL 463.A O no hydrogen 3.318 N/A ILE 467.A N LEU 464.A O no hydrogen 2.985 N/A VAL 468.A N LEU 464.A O no hydrogen 2.991 N/A LEU 469.A N ALA 465.A O no hydrogen 2.894 N/A LEU 470.A N GLY 466.A O no hydrogen 3.268 N/A VAL 471.A N ILE 467.A O no hydrogen 3.243 N/A ALA 472.A N VAL 468.A O no hydrogen 3.139 N/A LEU 473.A N LEU 469.A O no hydrogen 2.814 N/A LEU 474.A N LEU 470.A O no hydrogen 2.957 N/A LEU 475.A N VAL 471.A O no hydrogen 2.888 N/A PHE 476.A N ALA 472.A O no hydrogen 3.018 N/A PHE 476.A N LEU 473.A O no hydrogen 3.173 N/A ILE 477.A N LEU 473.A O no hydrogen 3.089 N/A TYR 478.A N LEU 474.A O no hydrogen 3.239 N/A GLY 479.A N LEU 475.A O no hydrogen 3.028 N/A LEU 480.A N PHE 476.A O no hydrogen 2.813 N/A PHE 481.A N ILE 477.A O no hydrogen 2.923 N/A SER 482.A N TYR 478.A O no hydrogen 3.000 N/A SER 482.A N GLY 479.A O no hydrogen 2.770 N/A VAL 483.A N GLY 479.A O no hydrogen 3.447 N/A LEU 484.A N LEU 480.A O no hydrogen 3.106 N/A ARG 489.A NH1 THR 401.A O no hydrogen 2.741 N/A LYS 490.A N GLY 402.A O no hydrogen 2.584 N/A LYS 490.A NZ GLU 492.A OE2 no hydrogen 2.511 N/A GLU 492.A N GLU 492.A OE1 no hydrogen 3.109 N/A LEU 493.A N LYS 490.A O no hydrogen 2.842 N/A ALA 496.A N LEU 493.A O no hydrogen 3.297 N/A PHE 500.A N LEU 498.A O no hydrogen 2.824 N/A ALA 501.A N THR 241.A O no hydrogen 2.858 N/A ILE 504.A N LEU 251.A O no hydrogen 3.073 N/A SER 505.A OG ASP 509.A OD2 no hydrogen 2.464 N/A GLY 506.A N ASP 509.A OD2 no hydrogen 3.126 N/A ASP 509.A N GLY 506.A O no hydrogen 2.767 N/A LEU 512.A N ASP 509.A O no hydrogen 3.385 N/A VAL 513.A N ASP 509.A O no hydrogen 3.034 N/A LEU 514.A N ARG 510.A O no hydrogen 3.189 N/A MET 516.A N LEU 512.A O no hydrogen 3.247 N/A ASP 517.A N LEU 514.A O no hydrogen 3.299 N/A ARG 518.A N ALA 515.A O no hydrogen 2.831 N/A PHE 521.A N ARG 518.A O no hydrogen 2.940 N/A TRP 522.A N ARG 518.A O no hydrogen 3.229 N/A TRP 522.A NE1 ALA 515.A O no hydrogen 3.269 N/A PHE 523.A N ILE 519.A O no hydrogen 2.827 N/A ALA 524.A N GLY 520.A O no hydrogen 3.047 N/A VAL 525.A N PHE 521.A O no hydrogen 3.173 N/A ALA 526.A N TRP 522.A O no hydrogen 3.111 N/A ALA 527.A N PHE 523.A O no hydrogen 2.983 N/A ILE 528.A N ALA 524.A O no hydrogen 3.008 N/A LEU 529.A N VAL 525.A O no hydrogen 2.982 N/A VAL 530.A N ALA 526.A O no hydrogen 3.252 N/A VAL 530.A N ALA 527.A O no hydrogen 3.090 N/A VAL 531.A N ALA 527.A O no hydrogen 3.177 N/A LEU 532.A N ILE 528.A O no hydrogen 3.188 N/A ALA 533.A N VAL 530.A O no hydrogen 3.258 N/A TYR 534.A N VAL 530.A O no hydrogen 3.175 N/A THR 537.A N TYR 534.A O no hydrogen 3.234 N/A LEU 538.A N TYR 534.A O no hydrogen 3.019 N/A VAL 539.A N GLY 535.A O no hydrogen 3.314 N/A GLN 540.A N PRO 536.A O no hydrogen 3.334 N/A GLN 540.A NE2 HIS 544.A ND1 no hydrogen 3.256 N/A LEU 541.A N THR 537.A O no hydrogen 2.840 N/A PHE 542.A N LEU 538.A O no hydrogen 2.699 N/A GLY 543.A N VAL 539.A O no hydrogen 2.963 N/A HIS 544.A N LEU 541.A O no hydrogen 3.286 N/A ASN 546.A N ASP 212.A OD2 no hydrogen 2.950 N/A VAL 548.A N VAL 211.A O no hydrogen 2.697 N/A TRP 551.A N PRO 130.A O no hydrogen 2.566 N/A ARG 552.A NE TRP 554.A OXT no hydrogen 3.445 N/A ARG 552.A NH2 GLU 120.A OE2 no hydrogen 2.684 N/A TRP 554.A NE1 ASN 119.A O no hydrogen 2.918 N/A