Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8k42_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PRO 60.A O no hydrogen 3.318 N/A LYS 4.A NZ ASP 64.A OD2 no hydrogen 3.462 N/A VAL 5.A N VAL 62.A O no hydrogen 3.014 N/A HIS 10.A N ILE 8.A O no hydrogen 2.921 N/A ASN 11.A ND2 ASP 28.A O no hydrogen 3.203 N/A LEU 12.A N HIS 10.A ND1 no hydrogen 3.329 N/A VAL 13.A N LYS 26.A O no hydrogen 2.846 N/A ILE 15.A N LEU 24.A O no hydrogen 2.993 N/A GLN 16.A NE2 GLY 20.A O no hydrogen 3.513 N/A GLN 16.A NE2 ALA 94.A O no hydrogen 2.845 N/A SER 17.A N HIS 22.A O no hydrogen 2.909 N/A SER 17.A OG ASN 19.A OD1 no hydrogen 3.500 N/A SER 17.A OG HIS 22.A O no hydrogen 2.978 N/A ASP 18.A N THR 683.A O no hydrogen 3.325 N/A ASN 19.A N ASN 19.A OD1 no hydrogen 2.409 N/A GLY 20.A N SER 17.A O no hydrogen 3.072 N/A HIS 22.A N SER 17.A OG no hydrogen 3.052 N/A LEU 24.A N ILE 15.A O no hydrogen 2.783 N/A ILE 25.A N LEU 742.A O no hydrogen 2.575 N/A LYS 26.A N VAL 13.A O no hydrogen 3.011 N/A LYS 26.A NZ TYR 679.A OH no hydrogen 3.193 N/A GLU 27.A N CYS 740.A O no hydrogen 3.423 N/A ASP 28.A N ASN 11.A O no hydrogen 2.989 N/A GLY 30.A N ASP 28.A OD1 no hydrogen 3.267 N/A TRP 32.A N PHE 605.A O no hydrogen 3.246 N/A VAL 34.A N ASN 676.A OD1 no hydrogen 3.057 N/A GLU 35.A N GLN 43.A OE1 no hydrogen 2.934 N/A SER 39.A OG ASN 42.A OD1 no hydrogen 3.290 N/A GLN 43.A NE2 GLU 35.A O no hydrogen 2.876 N/A GLN 43.A NE2 ILE 38.A O no hydrogen 3.647 N/A GLN 43.A NE2 SER 39.A O no hydrogen 3.058 N/A ALA 44.A N LEU 40.A O no hydrogen 2.863 N/A GLY 45.A N VAL 41.A O no hydrogen 3.061 N/A PHE 47.A N GLN 43.A O no hydrogen 3.214 N/A ALA 48.A N ALA 44.A O no hydrogen 2.918 N/A LEU 51.A N PHE 47.A O no hydrogen 2.861 N/A ALA 52.A N ALA 48.A O no hydrogen 2.904 N/A ASN 53.A N VAL 49.A O no hydrogen 3.097 N/A ASN 53.A ND2 ASP 58.A OD2 no hydrogen 2.744 N/A LYS 54.A N GLN 50.A O no hydrogen 3.145 N/A LEU 55.A N LEU 51.A O no hydrogen 3.071 N/A GLY 56.A N ASN 53.A O no hydrogen 3.256 N/A ILE 57.A N ALA 52.A O no hydrogen 3.038 N/A ASP 58.A N ASP 58.A OD1 no hydrogen 2.404 N/A LYS 59.A NZ ASP 58.A OD2 no hydrogen 2.618 N/A VAL 62.A N ILE 3.A O no hydrogen 2.863 N/A ASP 64.A N VAL 5.A O no hydrogen 2.780 N/A ASN 68.A N ALA 65.A O no hydrogen 3.461 N/A ASN 68.A ND2 PRO 6.A O no hydrogen 2.775 N/A ASN 68.A ND2 ASP 84.A OD2 no hydrogen 3.416 N/A TYR 69.A N SER 67.A O no hydrogen 3.094 N/A PHE 70.A N TYR 81.A O no hydrogen 3.036 N/A TYR 81.A N PHE 70.A O no hydrogen 2.788 N/A TYR 81.A OH ASP 77.A OD2 no hydrogen 2.988 N/A CYS 82.A N SER 119.A O no hydrogen 3.097 N/A CYS 82.A SG ASN 68.A O no hydrogen 3.752 N/A THR 83.A N ASN 68.A O no hydrogen 3.430 N/A LEU 86.A N PHE 134.A O no hydrogen 3.109 N/A ARG 89.A N SER 87.A OG no hydrogen 3.219 N/A ARG 89.A NH1 GLN 92.A OE1 no hydrogen 2.827 N/A GLU 90.A N SER 87.A O no hydrogen 3.056 N/A GLN 92.A N PRO 88.A O no hydrogen 3.017 N/A GLN 92.A NE2 ASN 112.A OD1 no hydrogen 2.730 N/A LYS 93.A N ARG 89.A O no hydrogen 2.923 N/A ALA 94.A N GLU 90.A O no hydrogen 3.016 N/A LEU 95.A N ILE 91.A O no hydrogen 2.756 N/A ASN 96.A N GLN 92.A O no hydrogen 2.959 N/A ARG 97.A N LYS 93.A O no hydrogen 3.145 N/A ARG 97.A NH2 ASP 18.A O no hydrogen 2.943 N/A GLN 98.A N ALA 94.A O no hydrogen 3.164 N/A GLN 98.A NE2 LYS 21.A O no hydrogen 2.816 N/A ARG 99.A N LEU 95.A O no hydrogen 3.078 N/A ARG 99.A NH1 PRO 105.A O no hydrogen 2.975 N/A ALA 100.A N ASN 96.A O no hydrogen 2.980 N/A TYR 101.A N ARG 97.A O no hydrogen 3.275 N/A TYR 102.A N GLN 98.A O no hydrogen 3.409 N/A ASP 103.A N ALA 100.A O no hydrogen 3.266 N/A ARG 104.A N ARG 99.A O no hydrogen 2.902 N/A LEU 107.A N ASN 96.A OD1 no hydrogen 3.150 N/A GLU 111.A N THR 108.A OG1 no hydrogen 3.187 N/A ASN 112.A N THR 108.A O no hydrogen 2.761 N/A LYS 113.A N ILE 109.A O no hydrogen 2.913 N/A THR 114.A N SER 110.A O no hydrogen 3.201 N/A THR 114.A OG1 SER 110.A O no hydrogen 2.823 N/A LEU 115.A N GLU 111.A O no hydrogen 3.122 N/A LEU 116.A N ASN 112.A O no hydrogen 2.811 N/A SER 117.A N LYS 113.A O no hydrogen 3.096 N/A SER 117.A OG LYS 113.A O no hydrogen 3.005 N/A SER 117.A OG THR 114.A O no hydrogen 3.253 N/A GLN 118.A N LEU 115.A O no hydrogen 3.351 N/A GLN 118.A NE2 THR 114.A O no hydrogen 2.555 N/A ILE 120.A N ILE 132.A O no hydrogen 3.281 N/A ILE 121.A N LYS 80.A O no hydrogen 2.978 N/A TYR 122.A N VAL 130.A O no hydrogen 3.074 N/A ASP 124.A N ASN 128.A O no hydrogen 2.931 N/A GLY 127.A N ASP 124.A O no hydrogen 3.360 N/A ASP 129.A N SER 756.A O no hydrogen 3.064 N/A VAL 130.A N TYR 122.A O no hydrogen 2.942 N/A SER 131.A N TYR 754.A O no hydrogen 2.670 N/A ILE 132.A N ILE 120.A O no hydrogen 2.991 N/A ILE 133.A N HIS 752.A O no hydrogen 3.051 N/A SER 135.A N ALA 750.A O no hydrogen 2.855 N/A SER 135.A OG TYR 754.A OH no hydrogen 2.795 N/A SER 139.A N GLU 27.A OE2 no hydrogen 3.098 N/A SER 139.A OG ASN 11.A OD1 no hydrogen 3.008 N/A SER 139.A OG GLU 27.A OE2 no hydrogen 2.877 N/A HIS 140.A N GLY 136.A O no hydrogen 3.003 N/A HIS 140.A NE2 ASP 753.A O no hydrogen 3.056 N/A ALA 141.A N ALA 137.A O no hydrogen 2.903 N/A ILE 142.A N MET 138.A O no hydrogen 2.913 N/A PHE 143.A N SER 139.A O no hydrogen 3.031 N/A THR 144.A N HIS 140.A O no hydrogen 3.064 N/A THR 144.A OG1 HIS 140.A O no hydrogen 2.573 N/A THR 144.A OG1 ALA 141.A O no hydrogen 3.210 N/A TYR 145.A N ALA 141.A O no hydrogen 3.172 N/A ALA 146.A N ILE 142.A O no hydrogen 3.088 N/A GLN 147.A N PHE 143.A O no hydrogen 3.120 N/A SER 148.A N THR 144.A O no hydrogen 3.198 N/A SER 148.A OG TYR 145.A O no hydrogen 2.820 N/A GLN 149.A N TYR 145.A O no hydrogen 3.168 N/A TRP 150.A N ALA 146.A O no hydrogen 3.133 N/A TRP 150.A NE1 ILE 57.A O no hydrogen 3.296 N/A ASN 151.A N GLN 147.A O no hydrogen 3.063 N/A LYS 152.A N GLN 149.A O no hydrogen 3.303 N/A LYS 152.A NZ GLN 149.A O no hydrogen 3.548 N/A ASN 153.A N TRP 150.A O no hydrogen 3.231 N/A ASN 153.A ND2 GLU 190.A OE1 no hydrogen 3.262 N/A ILE 154.A N ASN 151.A O no hydrogen 3.321 N/A ILE 155.A N VAL 187.A O no hydrogen 3.152 N/A LEU 157.A N GLY 185.A O no hydrogen 3.135 N/A TYR 160.A N LYS 156.A O no hydrogen 3.124 N/A ILE 161.A N LEU 157.A O no hydrogen 2.932 N/A ARG 162.A N ASP 158.A O no hydrogen 3.154 N/A GLU 163.A N ASP 159.A O no hydrogen 3.312 N/A GLU 163.A N TYR 160.A O no hydrogen 3.186 N/A ILE 164.A N ILE 161.A O no hydrogen 2.969 N/A THR 165.A OG1 ARG 162.A O no hydrogen 3.330 N/A THR 167.A N ILE 164.A O no hydrogen 3.469 N/A THR 167.A OG1 ILE 164.A O no hydrogen 2.929 N/A VAL 168.A N THR 165.A O no hydrogen 3.298 N/A TYR 172.A OH ASP 490.A OD1 no hydrogen 2.761 N/A ARG 173.A NE THR 772.A O no hydrogen 3.155 N/A ARG 175.A N VAL 769.A O no hydrogen 2.890 N/A ARG 175.A NH1 ASP 766.A O no hydrogen 2.726 N/A ARG 175.A NH1 ALA 768.A O no hydrogen 2.974 N/A ARG 175.A NH2 ASP 766.A O no hydrogen 3.400 N/A LYS 178.A N GLU 181.A OE1 no hydrogen 3.357 N/A HIS 182.A N LYS 178.A O no hydrogen 3.209 N/A THR 183.A N GLU 179.A O no hydrogen 3.381 N/A THR 183.A N ILE 180.A O no hydrogen 3.212 N/A THR 183.A OG1 GLU 179.A O no hydrogen 2.962 N/A HIS 184.A N ILE 180.A O no hydrogen 2.755 N/A TYR 186.A N VAL 762.A O no hydrogen 2.881 N/A VAL 187.A N ILE 155.A O no hydrogen 2.951 N/A ARG 189.A N ASN 153.A O no hydrogen 3.039 N/A SER 195.A OG GLU 450.A OE1 no hydrogen 3.339 N/A SER 195.A OG GLU 450.A OE2 no hydrogen 2.610 N/A LEU 196.A N GLU 450.A OE1 no hydrogen 3.102 N/A LEU 199.A N LEU 196.A O no hydrogen 3.251 N/A VAL 200.A N LEU 196.A O no hydrogen 3.126 N/A ASP 201.A N LEU 197.A O no hydrogen 2.704 N/A ASN 203.A N LEU 199.A O no hydrogen 3.109 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.890 N/A SER 207.A N ASN 203.A O no hydrogen 3.353 N/A SER 207.A OG ASN 203.A O no hydrogen 2.719 N/A SER 208.A N LEU 204.A O no hydrogen 2.975 N/A SER 208.A OG LEU 204.A O no hydrogen 2.769 N/A SER 208.A OG ARG 456.A O no hydrogen 3.285 N/A SER 209.A N LYS 205.A O no hydrogen 3.085 N/A SER 209.A OG LYS 205.A O no hydrogen 2.716 N/A SER 209.A OG GLU 206.A O no hydrogen 2.910 N/A TYR 210.A N GLU 206.A O no hydrogen 3.126 N/A TYR 211.A N SER 207.A O no hydrogen 3.243 N/A TYR 211.A OH GLU 499.A OE2 no hydrogen 3.311 N/A PHE 212.A N SER 208.A O no hydrogen 2.956 N/A LYS 213.A N SER 209.A O no hydrogen 3.144 N/A LYS 214.A N TYR 210.A O no hydrogen 3.151 N/A LYS 214.A NZ GLU 495.A OE2 no hydrogen 3.079 N/A LYS 214.A NZ GLU 499.A OE1 no hydrogen 2.456 N/A LEU 215.A N TYR 211.A O no hydrogen 2.965 N/A MET 216.A N PHE 212.A O no hydrogen 2.841 N/A SER 217.A N LYS 213.A O no hydrogen 3.209 N/A SER 217.A OG LYS 213.A O no hydrogen 2.774 N/A SER 218.A OG TYR 443.A OH no hydrogen 2.640 N/A SER 218.A OG GLU 492.A OE1 no hydrogen 2.840 N/A SER 218.A OG GLU 492.A OE2 no hydrogen 2.604 N/A ILE 219.A N LEU 215.A O no hydrogen 3.115 N/A SER 220.A N MET 216.A O no hydrogen 3.043 N/A SER 220.A OG MET 216.A O no hydrogen 2.857 N/A ASN 221.A N SER 218.A O no hydrogen 3.321 N/A VAL 222.A N ILE 219.A O no hydrogen 3.257 N/A ASP 225.A N GLN 478.A O no hydrogen 2.863 N/A THR 228.A OG1 GLN 230.A OE1 no hydrogen 3.114 N/A THR 233.A N LEU 229.A O no hydrogen 2.876 N/A THR 233.A OG1 LEU 229.A O no hydrogen 2.747 N/A ALA 234.A N GLN 230.A O no hydrogen 2.843 N/A ALA 235.A N SER 231.A O no hydrogen 3.250 N/A LEU 236.A N ALA 232.A O no hydrogen 3.162 N/A ALA 237.A N THR 233.A O no hydrogen 2.904 N/A ALA 238.A N ALA 234.A O no hydrogen 3.069 N/A ASP 239.A N ALA 235.A O no hydrogen 3.031 N/A THR 240.A N LEU 236.A O no hydrogen 3.096 N/A THR 240.A OG1 LEU 236.A O no hydrogen 3.082 N/A THR 240.A OG1 THR 240.A O no hydrogen 2.499 N/A GLN 242.A NE2 SER 251.A OG no hydrogen 3.370 N/A ALA 243.A N GLN 248.A OE1 no hydrogen 3.041 N/A THR 254.A N VAL 250.A O no hydrogen 3.017 N/A ASN 255.A N SER 251.A O no hydrogen 2.835 N/A LEU 257.A N THR 254.A O no hydrogen 3.129 N/A THR 258.A N SER 471.A OG no hydrogen 3.248 N/A ALA 260.A N THR 258.A OG1 no hydrogen 3.261 N/A ASN 261.A ND2 ASP 468.A OD2 no hydrogen 3.079 N/A ALA 262.A N THR 259.A O no hydrogen 3.452 N/A VAL 265.A N ASN 261.A O no hydrogen 3.184 N/A ARG 266.A N ALA 262.A O no hydrogen 3.073 N/A ALA 267.A N PRO 263.A O no hydrogen 3.295 N/A ALA 267.A N THR 264.A O no hydrogen 3.201 N/A ILE 268.A N THR 264.A O no hydrogen 3.090 N/A THR 269.A N VAL 265.A O no hydrogen 2.857 N/A THR 269.A OG1 VAL 265.A O no hydrogen 3.089 N/A VAL 270.A N ARG 266.A O no hydrogen 3.328 N/A LEU 271.A N ALA 267.A O no hydrogen 3.119 N/A THR 272.A N ILE 268.A O no hydrogen 2.976 N/A THR 272.A OG1 ILE 268.A O no hydrogen 3.549 N/A THR 272.A OG1 THR 269.A O no hydrogen 2.610 N/A CYS 273.A N THR 269.A O no hydrogen 3.423 N/A CYS 273.A SG THR 269.A O no hydrogen 3.484 N/A CYS 273.A SG THR 272.A OG1 no hydrogen 3.696 N/A MET 274.A N LEU 271.A O no hydrogen 3.382 N/A LYS 276.A N PHE 452.A O no hydrogen 3.179 N/A ILE 280.A N SER 307.A O no hydrogen 3.195 N/A GLY 281.A N ASN 463.A OD1 no hydrogen 3.286 N/A MET 282.A N GLN 312.A OE1 no hydrogen 3.142 N/A TYR 284.A N TYR 315.A OH no hydrogen 3.403 N/A ASN 289.A N ASP 292.A OD2 no hydrogen 2.675 N/A VAL 293.A N ASN 289.A O no hydrogen 3.372 N/A ALA 294.A N ILE 290.A O no hydrogen 3.073 N/A ALA 295.A N MET 291.A O no hydrogen 2.747 N/A ALA 296.A N ASP 292.A O no hydrogen 2.730 N/A THR 297.A N VAL 293.A O no hydrogen 2.830 N/A THR 297.A OG1 VAL 293.A O no hydrogen 2.605 N/A CYS 298.A N ALA 294.A O no hydrogen 2.984 N/A CYS 298.A SG ALA 294.A O no hydrogen 3.413 N/A MET 299.A N ALA 295.A O no hydrogen 3.065 N/A LEU 300.A N ALA 296.A O no hydrogen 3.185 N/A LEU 301.A N THR 297.A O no hydrogen 3.094 N/A PHE 302.A N CYS 298.A O no hydrogen 3.013 N/A ARG 303.A NE GLU 469.A OE2 no hydrogen 3.365 N/A ARG 303.A NH1 THR 269.A OG1 no hydrogen 2.766 N/A ARG 303.A NH2 GLU 469.A OE1 no hydrogen 2.439 N/A ALA 305.A N TYR 355.A O no hydrogen 2.985 N/A SER 307.A N PRO 304.A O no hydrogen 3.041 N/A GLN 312.A N SER 309.A OG no hydrogen 3.139 N/A GLN 312.A NE2 MET 282.A O no hydrogen 3.406 N/A TYR 313.A N SER 309.A O no hydrogen 2.714 N/A TYR 313.A OH VAL 352.A O no hydrogen 2.353 N/A ARG 314.A N ASP 310.A O no hydrogen 2.813 N/A ARG 314.A NH1 ASN 333.A O no hydrogen 3.479 N/A ARG 314.A NH2 ASN 333.A O no hydrogen 3.040 N/A TYR 315.A N GLU 311.A O no hydrogen 2.954 N/A CYS 316.A N GLN 312.A O no hydrogen 2.850 N/A CYS 316.A SG TYR 284.A OH no hydrogen 3.026 N/A CYS 316.A SG GLN 312.A O no hydrogen 3.471 N/A LEU 317.A N TYR 313.A O no hydrogen 3.092 N/A GLN 318.A N ARG 314.A O no hydrogen 2.838 N/A GLN 318.A NE2 VAL 332.A O no hydrogen 2.764 N/A THR 319.A N TYR 315.A O no hydrogen 3.080 N/A THR 319.A OG1 TYR 315.A O no hydrogen 3.040 N/A THR 319.A OG1 TYR 329.A OH no hydrogen 3.047 N/A MET 320.A N CYS 316.A O no hydrogen 3.290 N/A ALA 321.A N LEU 317.A O no hydrogen 3.169 N/A VAL 322.A N GLN 318.A O no hydrogen 3.079 N/A PHE 323.A N THR 319.A O no hydrogen 3.287 N/A LEU 324.A N MET 320.A O no hydrogen 2.790 N/A THR 325.A N ALA 321.A O no hydrogen 3.040 N/A THR 325.A OG1 ALA 321.A O no hydrogen 2.486 N/A THR 327.A N VAL 322.A O no hydrogen 3.468 N/A TYR 329.A OH THR 319.A OG1 no hydrogen 3.047 N/A VAL 332.A N THR 328.A O no hydrogen 3.384 N/A VAL 339.A N THR 336.A OG1 no hydrogen 3.411 N/A LEU 340.A N THR 336.A O no hydrogen 2.933 N/A LYS 341.A N ILE 337.A O no hydrogen 2.886 N/A MET 342.A N ASP 338.A O no hydrogen 3.219 N/A LYS 343.A N VAL 339.A O no hydrogen 3.178 N/A LYS 343.A NZ ASP 335.A OD2 no hydrogen 3.255 N/A LEU 344.A N LEU 340.A O no hydrogen 3.238 N/A ARG 345.A N LYS 341.A O no hydrogen 3.079 N/A ARG 345.A NH2 GLU 353.A OE2 no hydrogen 3.198 N/A ASN 346.A N MET 342.A O no hydrogen 2.956 N/A GLN 347.A N LYS 343.A O no hydrogen 3.365 N/A GLY 348.A N ARG 345.A O no hydrogen 3.143 N/A TRP 349.A N LEU 344.A O no hydrogen 2.781 N/A VAL 352.A N PRO 350.A O no hydrogen 3.008 N/A ARG 354.A NH1 ASP 310.A OD1 no hydrogen 3.088 N/A ARG 354.A NH2 ASP 310.A OD1 no hydrogen 3.032 N/A TYR 355.A OH GLU 391.A OE1 no hydrogen 3.390 N/A ILE 360.A N TYR 376.A O no hydrogen 2.753 N/A MET 362.A N GLY 374.A O no hydrogen 3.293 N/A GLU 365.A N LEU 166.A O no hydrogen 3.008 N/A ARG 368.A NH2 GLY 194.A O no hydrogen 2.772 N/A SER 369.A N PRO 366.A O no hydrogen 3.301 N/A SER 369.A OG LEU 367.A O no hydrogen 3.265 N/A GLY 371.A N GLU 365.A OE1 no hydrogen 3.023 N/A GLN 372.A NE2 PRO 370.A O no hydrogen 3.467 N/A ARG 375.A NE GLU 359.A OE2 no hydrogen 2.681 N/A ARG 375.A NH2 GLU 359.A OE2 no hydrogen 2.789 N/A TYR 376.A N ILE 360.A O no hydrogen 3.058 N/A TYR 377.A N CYS 273.A O no hydrogen 3.085 N/A TYR 377.A OH LYS 276.A O no hydrogen 3.205 N/A ASN 378.A N VAL 358.A O no hydrogen 3.033 N/A ASN 381.A ND2 ARG 303.A O no hydrogen 3.016 N/A ASP 383.A N LYS 388.A O no hydrogen 2.806 N/A LEU 385.A N ASP 383.A OD1 no hydrogen 2.871 N/A LYS 387.A N ASP 383.A O no hydrogen 2.711 N/A LYS 387.A NZ PRO 384.A O no hydrogen 2.844 N/A HIS 389.A NE2 LEU 301.A O no hydrogen 2.972 N/A VAL 390.A N ASN 381.A O no hydrogen 3.150 N/A GLU 391.A N HIS 389.A ND1 no hydrogen 3.067 N/A ARG 393.A N GLU 391.A OE2 no hydrogen 3.123 N/A ARG 393.A NH1 GLU 396.A OE1 no hydrogen 3.157 N/A PHE 397.A N ARG 393.A O no hydrogen 2.967 N/A ILE 398.A N LEU 394.A O no hydrogen 3.057 N/A ASN 399.A N GLU 395.A O no hydrogen 3.270 N/A GLN 400.A N GLU 396.A O no hydrogen 2.960 N/A GLN 400.A NE2 GLY 348.A O no hydrogen 3.113 N/A VAL 401.A N PHE 397.A O no hydrogen 2.964 N/A GLN 402.A N ILE 398.A O no hydrogen 3.046 N/A VAL 403.A N ASN 399.A O no hydrogen 3.308 N/A GLY 404.A N VAL 401.A O no hydrogen 3.139 N/A ARG 405.A NH1 ALA 409.A O no hydrogen 3.183 N/A SER 410.A N ASN 408.A OD1 no hydrogen 3.122 N/A THR 416.A N ASN 412.A O no hydrogen 2.974 N/A THR 416.A OG1 ASN 412.A O no hydrogen 2.312 N/A THR 417.A N ALA 413.A O no hydrogen 3.201 N/A THR 417.A OG1 ALA 413.A O no hydrogen 2.704 N/A LEU 418.A N VAL 414.A O no hydrogen 3.087 N/A ALA 419.A N GLY 415.A O no hydrogen 2.856 N/A ALA 420.A N THR 416.A O no hydrogen 2.943 N/A PHE 421.A N THR 417.A O no hydrogen 3.078 N/A LEU 422.A N LEU 418.A O no hydrogen 2.825 N/A ARG 423.A N ALA 419.A O no hydrogen 2.945 N/A ALA 424.A N ALA 420.A O no hydrogen 3.290 N/A CYS 425.A N PHE 421.A O no hydrogen 3.200 N/A CYS 425.A SG PHE 421.A O no hydrogen 3.335 N/A ARG 426.A N LEU 422.A O no hydrogen 3.048 N/A ARG 426.A NE ASP 427.A OD1 no hydrogen 3.175 N/A ARG 426.A NH2 ASP 427.A OD1 no hydrogen 2.569 N/A ASP 427.A N ARG 423.A O no hydrogen 3.095 N/A LYS 428.A N ALA 424.A O no hydrogen 3.107 N/A THR 429.A N CYS 425.A O no hydrogen 3.092 N/A THR 429.A OG1 CYS 425.A O no hydrogen 2.890 N/A THR 429.A OG1 ARG 426.A O no hydrogen 2.856 N/A SER 430.A N ARG 426.A O no hydrogen 3.078 N/A SER 430.A OG ARG 426.A O no hydrogen 2.840 N/A ALA 431.A N ASP 427.A O no hydrogen 3.129 N/A ASN 432.A N LYS 428.A O no hydrogen 3.097 N/A TYR 436.A OH ALA 477.A O no hydrogen 3.194 N/A SER 437.A N TRP 433.A O no hydrogen 2.894 N/A SER 437.A OG ASN 378.A OD1 no hydrogen 3.204 N/A VAL 438.A N ARG 434.A O no hydrogen 3.085 N/A LEU 439.A N GLY 435.A O no hydrogen 3.109 N/A VAL 440.A N TYR 436.A O no hydrogen 2.898 N/A SER 441.A N SER 437.A O no hydrogen 3.135 N/A SER 441.A OG VAL 438.A O no hydrogen 3.058 N/A ARG 442.A N VAL 438.A O no hydrogen 3.132 N/A TYR 443.A N LEU 439.A O no hydrogen 3.334 N/A TYR 443.A OH SER 218.A OG no hydrogen 2.640 N/A ARG 444.A N VAL 440.A O no hydrogen 2.911 N/A ARG 444.A NE ARG 375.A O no hydrogen 2.986 N/A ARG 444.A NH1 ARG 444.A O no hydrogen 3.212 N/A ARG 444.A NH2 ASN 449.A OD1 no hydrogen 2.795 N/A SER 445.A N SER 441.A O no hydrogen 3.330 N/A SER 445.A OG SER 441.A O no hydrogen 3.273 N/A LEU 446.A N TYR 443.A O no hydrogen 3.277 N/A ILE 447.A N ARG 444.A O no hydrogen 3.308 N/A ASN 449.A N SER 369.A OG no hydrogen 2.979 N/A ASN 449.A ND2 GLN 372.A OE1 no hydrogen 3.177 N/A PHE 452.A N PRO 448.A O no hydrogen 3.156 N/A GLU 453.A N ASN 449.A O no hydrogen 3.122 N/A SER 454.A OG GLU 450.A O no hydrogen 2.822 N/A LEU 455.A N LEU 451.A O no hydrogen 3.398 N/A ARG 456.A N SER 208.A OG no hydrogen 3.279 N/A ARG 456.A NH1 LEU 455.A O no hydrogen 3.294 N/A ARG 456.A NH2 GLU 453.A O no hydrogen 3.348 N/A ASN 457.A ND2 ARG 279.A O no hydrogen 2.934 N/A ASN 463.A N GLU 461.A O no hydrogen 3.221 N/A ILE 464.A N GLY 281.A O no hydrogen 3.282 N/A GLU 469.A N ASN 465.A O no hydrogen 3.046 N/A HIS 470.A N PRO 466.A O no hydrogen 3.382 N/A SER 471.A N GLN 467.A O no hydrogen 3.373 N/A SER 471.A OG GLN 467.A O no hydrogen 2.569 N/A PHE 472.A N ASP 468.A O no hydrogen 2.947 N/A PHE 472.A N GLU 469.A O no hydrogen 3.151 N/A PHE 473.A N GLU 469.A O no hydrogen 3.435 N/A PHE 474.A N HIS 470.A O no hydrogen 3.347 N/A ALA 475.A N SER 471.A O no hydrogen 3.111 N/A GLN 478.A NE2 ASN 432.A OD1 no hydrogen 3.442 N/A ASN 480.A N PRO 223.A O no hydrogen 3.100 N/A ASP 483.A N ASP 482.A OD1 no hydrogen 2.481 N/A ILE 486.A N ASP 482.A O no hydrogen 3.010 N/A GLY 487.A N ASP 483.A O no hydrogen 3.112 N/A ALA 488.A N GLU 484.A O no hydrogen 3.124 N/A ILE 489.A N PHE 485.A O no hydrogen 3.189 N/A ASP 490.A N ILE 486.A O no hydrogen 3.277 N/A LYS 491.A N GLY 487.A O no hydrogen 3.188 N/A GLU 492.A N ALA 488.A O no hydrogen 3.103 N/A SER 493.A N ILE 489.A O no hydrogen 2.931 N/A SER 493.A OG ILE 489.A O no hydrogen 2.946 N/A ALA 494.A N ASP 490.A O no hydrogen 3.363 N/A GLU 495.A N LYS 491.A O no hydrogen 3.157 N/A TYR 496.A N GLU 492.A O no hydrogen 2.699 N/A LEU 497.A N SER 493.A O no hydrogen 2.950 N/A ASP 498.A N ALA 494.A O no hydrogen 3.117 N/A GLU 499.A N GLU 495.A O no hydrogen 2.962 N/A TYR 500.A N TYR 496.A O no hydrogen 2.983 N/A TYR 500.A OH LEU 446.A O no hydrogen 3.373 N/A ALA 501.A N LEU 497.A O no hydrogen 3.135 N/A THR 502.A N ASP 498.A O no hydrogen 2.912 N/A THR 502.A OG1 ASP 498.A O no hydrogen 2.835 N/A THR 502.A OG1 ASP 498.A OD1 no hydrogen 3.175 N/A LEU 503.A N GLU 499.A O no hydrogen 2.931 N/A ALA 504.A N TYR 500.A O no hydrogen 3.008 N/A ARG 505.A N ALA 501.A O no hydrogen 3.240 N/A ASP 506.A N THR 502.A O no hydrogen 3.116 N/A ILE 507.A N LEU 503.A O no hydrogen 2.943 N/A SER 508.A N ALA 504.A O no hydrogen 3.102 N/A ASN 509.A N ARG 505.A O no hydrogen 2.938 N/A SER 510.A N ASP 506.A O no hydrogen 2.941 N/A SER 510.A OG ASP 506.A O no hydrogen 2.845 N/A SER 510.A OG TYR 568.A OH no hydrogen 2.806 N/A LEU 511.A N ILE 507.A O no hydrogen 2.926 N/A THR 512.A N SER 508.A O no hydrogen 3.153 N/A THR 512.A OG1 SER 508.A O no hydrogen 2.979 N/A LEU 513.A N ASN 509.A O no hydrogen 3.046 N/A VAL 514.A N SER 510.A O no hydrogen 3.102 N/A LYS 515.A N LEU 511.A O no hydrogen 3.429 N/A ALA 516.A N THR 512.A O no hydrogen 3.347 N/A ALA 517.A N LEU 513.A O no hydrogen 3.134 N/A PHE 518.A N VAL 514.A O no hydrogen 3.148 N/A THR 524.A OG1 SER 527.A OG no hydrogen 2.369 N/A SER 527.A OG GLU 522.A OE1 no hydrogen 3.248 N/A SER 527.A OG THR 524.A OG1 no hydrogen 2.369 N/A ILE 528.A N THR 524.A O no hydrogen 3.153 N/A ILE 529.A N SER 525.A O no hydrogen 2.844 N/A ASN 530.A N GLY 526.A O no hydrogen 2.914 N/A HIS 531.A N SER 527.A O no hydrogen 2.897 N/A HIS 531.A NE2 ASP 573.A OD1 no hydrogen 2.904 N/A ALA 532.A N ILE 528.A O no hydrogen 2.954 N/A ASN 533.A N ILE 529.A O no hydrogen 3.131 N/A ASN 534.A N ASN 530.A O no hydrogen 3.065 N/A ASN 534.A ND2 ASN 530.A OD1 no hydrogen 3.327 N/A LEU 535.A N HIS 531.A O no hydrogen 2.880 N/A ASN 536.A N ALA 532.A O no hydrogen 3.172 N/A LYS 537.A N ASN 533.A O no hydrogen 3.074 N/A VAL 538.A N ASN 534.A O no hydrogen 3.072 N/A ILE 539.A N LEU 535.A O no hydrogen 3.134 N/A ASN 540.A N ASN 536.A O no hydrogen 2.980 N/A HIS 541.A N LYS 537.A O no hydrogen 3.160 N/A VAL 542.A N VAL 538.A O no hydrogen 2.908 N/A PHE 543.A N ILE 539.A O no hydrogen 3.242 N/A ALA 544.A N HIS 541.A O no hydrogen 3.344 N/A LEU 548.A N VAL 542.A O no hydrogen 3.210 N/A SER 550.A OG ASP 506.A OD2 no hydrogen 3.099 N/A THR 552.A N SER 550.A OG no hydrogen 3.259 N/A LEU 554.A N SER 550.A O no hydrogen 3.497 N/A LYS 555.A N GLU 551.A O no hydrogen 3.040 N/A ILE 556.A N THR 552.A O no hydrogen 3.427 N/A LEU 557.A N MET 553.A O no hydrogen 2.996 N/A THR 558.A N LEU 554.A O no hydrogen 2.877 N/A THR 558.A OG1 LEU 554.A O no hydrogen 2.445 N/A THR 558.A OG1 LYS 555.A O no hydrogen 3.425 N/A ILE 559.A N ILE 556.A O no hydrogen 3.498 N/A GLY 561.A N THR 558.A O no hydrogen 3.097 N/A THR 562.A OG1 LEU 557.A O no hydrogen 3.359 N/A THR 562.A OG1 THR 563.A O no hydrogen 3.313 N/A THR 563.A OG1 ASP 566.A OD2 no hydrogen 3.246 N/A LYS 565.A NZ ASN 540.A OD1 no hydrogen 3.230 N/A GLY 567.A N THR 563.A O no hydrogen 2.884 N/A TYR 568.A N GLY 564.A O no hydrogen 3.116 N/A TYR 568.A OH SER 510.A OG no hydrogen 2.806 N/A ARG 569.A N LYS 565.A O no hydrogen 3.084 N/A ASN 570.A N ASP 566.A O no hydrogen 3.172 N/A TRP 571.A N GLY 567.A O no hydrogen 3.242 N/A TRP 571.A NE1 PRO 198.A O no hydrogen 3.286 N/A LEU 572.A N TYR 568.A O no hydrogen 2.929 N/A ASP 573.A N ARG 569.A O no hydrogen 3.156 N/A LYS 574.A N ASN 570.A O no hydrogen 3.259 N/A LYS 574.A NZ ASN 203.A OD1 no hydrogen 3.097 N/A LEU 575.A N TRP 571.A O no hydrogen 3.333 N/A LEU 575.A N LEU 572.A O no hydrogen 3.208 N/A VAL 576.A N ASP 573.A O no hydrogen 3.413 N/A HIS 578.A N LEU 575.A O no hydrogen 3.125 N/A ASN 589.A N GLU 585.A O no hydrogen 3.171 N/A ASN 589.A ND2 GLN 149.A OE1 no hydrogen 3.139 N/A ILE 590.A N PRO 586.A O no hydrogen 3.023 N/A MET 591.A N VAL 587.A O no hydrogen 3.108 N/A ASN 592.A N VAL 588.A O no hydrogen 3.061 N/A PHE 593.A N ASN 589.A O no hydrogen 3.113 N/A ILE 594.A N ILE 590.A O no hydrogen 3.136 N/A SER 595.A N MET 591.A O no hydrogen 2.883 N/A SER 595.A OG ALA 44.A O no hydrogen 3.430 N/A SER 595.A OG MET 591.A O no hydrogen 2.881 N/A ALA 596.A N ASN 592.A O no hydrogen 3.018 N/A ARG 597.A N PHE 593.A O no hydrogen 3.037 N/A ARG 597.A NE ASP 601.A OD2 no hydrogen 3.243 N/A PHE 598.A N ILE 594.A O no hydrogen 2.881 N/A VAL 599.A N SER 595.A O no hydrogen 3.158 N/A ALA 600.A N ALA 596.A O no hydrogen 2.922 N/A ASP 601.A N ARG 597.A O no hydrogen 2.788 N/A SER 602.A OG TYR 607.A O no hydrogen 3.255 N/A PHE 605.A N SER 602.A O no hydrogen 3.077 N/A TYR 607.A N SER 602.A O no hydrogen 3.407 N/A TYR 607.A OH PHE 598.A O no hydrogen 2.625 N/A THR 608.A N PHE 675.A O no hydrogen 3.059 N/A THR 608.A OG1 ASN 609.A OD1 no hydrogen 3.378 N/A THR 608.A OG1 GLU 610.A O no hydrogen 3.272 N/A GLU 610.A N THR 608.A OG1 no hydrogen 3.347 N/A ILE 611.A N LEU 670.A O no hydrogen 3.137 N/A MET 612.A N TYR 734.A O no hydrogen 3.013 N/A ILE 613.A N PHE 668.A O no hydrogen 3.240 N/A MET 614.A N ARG 732.A O no hydrogen 3.097 N/A ASN 616.A N SER 730.A O no hydrogen 2.699 N/A ASN 616.A ND2 SER 725.A O no hydrogen 3.023 N/A ASN 616.A ND2 LYS 726.A O no hydrogen 3.516 N/A ILE 618.A N PRO 615.A O no hydrogen 3.286 N/A ASP 623.A N PHE 633.A O no hydrogen 2.912 N/A ASP 624.A N ASP 624.A OD1 no hydrogen 2.341 N/A ARG 625.A NE ASP 623.A OD1 no hydrogen 3.284 N/A ARG 625.A NE ASP 623.A OD2 no hydrogen 3.502 N/A ARG 625.A NH2 ASP 623.A OD2 no hydrogen 3.098 N/A ARG 629.A N TYR 712.A O no hydrogen 2.895 N/A ARG 629.A NE ASP 685.A OD1 no hydrogen 3.329 N/A SER 631.A OG ASP 623.A O no hydrogen 3.454 N/A SER 631.A OG PHE 633.A O no hydrogen 3.320 N/A PHE 633.A N SER 631.A OG no hydrogen 3.146 N/A CYS 634.A N ILE 735.A O no hydrogen 3.006 N/A CYS 634.A SG PRO 621.A O no hydrogen 3.395 N/A SER 636.A OG THR 635.A O no hydrogen 2.953 N/A ILE 641.A N ASN 644.A O no hydrogen 2.820 N/A ASN 644.A N ILE 641.A O no hydrogen 3.224 N/A VAL 646.A N ARG 639.A O no hydrogen 3.112 N/A ARG 648.A NH2 GLU 610.A OE2 no hydrogen 2.270 N/A ILE 649.A N ILE 669.A O no hydrogen 2.770 N/A TYR 651.A N TYR 671.A O no hydrogen 2.996 N/A TYR 651.A OH ASP 703.A OD1 no hydrogen 3.282 N/A VAL 653.A N SER 650.A OG no hydrogen 3.285 N/A PHE 654.A N SER 650.A O no hydrogen 3.017 N/A SER 655.A N TYR 651.A O no hydrogen 2.906 N/A SER 655.A OG TYR 651.A O no hydrogen 2.865 N/A SER 655.A OG ASN 702.A O no hydrogen 3.272 N/A MET 656.A N ASN 652.A O no hydrogen 3.335 N/A MET 657.A N PHE 654.A O no hydrogen 3.411 N/A ASP 662.A N ASP 659.A O no hydrogen 3.203 N/A VAL 663.A N ASP 659.A O no hydrogen 3.409 N/A ILE 664.A N ILE 660.A O no hydrogen 3.106 N/A SER 665.A OG ASP 662.A O no hydrogen 3.004 N/A GLU 666.A N VAL 663.A O no hydrogen 3.144 N/A GLY 667.A N VAL 663.A O no hydrogen 3.340 N/A PHE 668.A N ILE 613.A O no hydrogen 3.285 N/A ILE 669.A N ARG 647.A O no hydrogen 2.728 N/A LEU 670.A N ILE 611.A O no hydrogen 2.831 N/A TYR 671.A N ILE 649.A O no hydrogen 3.228 N/A TYR 674.A N THR 36.A OG1 no hydrogen 3.411 N/A PHE 675.A N THR 608.A O no hydrogen 2.816 N/A ASN 676.A ND2 VAL 34.A O no hydrogen 3.194 N/A PHE 677.A N GLY 606.A O no hydrogen 2.997 N/A SER 678.A N ILE 707.A O no hydrogen 3.093 N/A SER 678.A OG ILE 707.A O no hydrogen 3.113 N/A SER 678.A OG HIS 708.A ND1 no hydrogen 3.059 N/A ASP 680.A N PHE 709.A O no hydrogen 2.849 N/A MET 682.A N ILE 711.A O no hydrogen 2.843 N/A THR 683.A OG1 ASP 18.A OD1 no hydrogen 2.674 N/A THR 683.A OG1 ASP 18.A OD2 no hydrogen 3.108 N/A THR 684.A OG1 ASP 685.A O no hydrogen 3.476 N/A THR 688.A OG1 ARG 629.A O no hydrogen 2.682 N/A ARG 689.A N TYR 710.A O no hydrogen 3.307 N/A LYS 691.A N HIS 708.A O no hydrogen 3.013 N/A ILE 696.A N ASP 703.A O no hydrogen 2.893 N/A THR 698.A N GLY 701.A O no hydrogen 3.199 N/A THR 698.A OG1 GLY 701.A O no hydrogen 2.545 N/A GLY 701.A N THR 698.A OG1 no hydrogen 2.889 N/A ASN 702.A N SER 655.A O no hydrogen 3.073 N/A ASN 702.A ND2 PHE 654.A O no hydrogen 3.190 N/A ASN 702.A ND2 MET 657.A O no hydrogen 2.912 N/A ASP 703.A N ILE 696.A O no hydrogen 3.092 N/A ILE 704.A N TYR 651.A OH no hydrogen 2.938 N/A LYS 705.A N ILE 694.A O no hydrogen 3.175 N/A LYS 705.A NZ ASP 693.A OD2 no hydrogen 3.481 N/A HIS 708.A ND1 SER 678.A OG no hydrogen 3.059 N/A PHE 709.A N SER 678.A O no hydrogen 2.869 N/A TYR 710.A N ARG 689.A O no hydrogen 2.914 N/A ILE 711.A N ASP 680.A O no hydrogen 2.864 N/A TYR 712.A N THR 688.A OG1 no hydrogen 3.277 N/A GLU 714.A N GLY 627.A O no hydrogen 3.163 N/A ASN 715.A N ASP 685.A OD2 no hydrogen 2.829 N/A ARG 716.A NH1 ARG 716.A O no hydrogen 2.991 N/A ASN 717.A N ASN 715.A OD1 no hydrogen 3.327 N/A LYS 720.A NZ GLU 724.A OE2 no hydrogen 2.310 N/A LEU 721.A N ASP 718.A OD1 no hydrogen 3.146 N/A ARG 722.A N ASP 718.A O no hydrogen 3.226 N/A TYR 723.A N LYS 719.A O no hydrogen 3.044 N/A GLU 724.A N LYS 720.A O no hydrogen 3.117 N/A SER 725.A N LEU 721.A O no hydrogen 3.084 N/A SER 725.A OG ASP 630.A OD2 no hydrogen 3.225 N/A SER 725.A OG LEU 721.A O no hydrogen 2.744 N/A LYS 726.A N ARG 722.A O no hydrogen 3.356 N/A MET 727.A N TYR 723.A O no hydrogen 3.034 N/A ASN 728.A N GLU 724.A O no hydrogen 2.892 N/A ARG 732.A N MET 614.A O no hydrogen 2.969 N/A ARG 732.A NE ASN 616.A OD1 no hydrogen 3.246 N/A ARG 732.A NH1 SER 631.A O no hydrogen 3.569 N/A TYR 734.A N MET 612.A O no hydrogen 2.868 N/A ILE 735.A N PRO 632.A O no hydrogen 3.001 N/A LYS 736.A NZ THR 635.A O no hydrogen 3.267 N/A THR 737.A N CYS 634.A O no hydrogen 2.974 N/A THR 737.A OG1 ASP 623.A OD2 no hydrogen 3.546 N/A THR 737.A OG1 PRO 738.A O no hydrogen 3.560 N/A CYS 740.A SG TYR 679.A OH no hydrogen 3.247 N/A LEU 742.A N ILE 25.A O no hydrogen 2.777 N/A LEU 744.A N ALA 23.A O no hydrogen 3.123 N/A SER 745.A OG ASP 746.A OD2 no hydrogen 3.417 N/A ASP 746.A N PRO 743.A O no hydrogen 3.157 N/A ALA 750.A N TYR 747.A O no hydrogen 3.290 N/A GLN 751.A N MET 748.A O no hydrogen 3.475 N/A HIS 752.A N ILE 133.A O no hydrogen 2.925 N/A TYR 754.A N SER 131.A O no hydrogen 2.834 N/A TYR 754.A OH SER 135.A OG no hydrogen 2.795 N/A SER 756.A N ASP 129.A O no hydrogen 2.847 N/A SER 756.A OG ASP 129.A O no hydrogen 3.475 N/A SER 760.A N SER 758.A OG no hydrogen 3.085 N/A VAL 762.A N HIS 184.A O no hydrogen 2.840 N/A ILE 764.A N TYR 186.A O no hydrogen 3.027 N/A ALA 768.A N ASP 766.A OD1 no hydrogen 3.207 N/A TYR 771.A N ARG 173.A O no hydrogen 2.700 N/A THR 772.A OG1 SER 774.A OXT no hydrogen 3.086 N/A