Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6o78_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 75.A O no hydrogen 3.544 N/A LEU 6.A N GLU 2.A O no hydrogen 3.130 N/A THR 7.A N ILE 3.A O no hydrogen 3.319 N/A THR 7.A OG1 ILE 3.A O no hydrogen 3.021 N/A THR 7.A OG1 ASP 4.A O no hydrogen 2.803 N/A ALA 8.A N ASP 4.A O no hydrogen 3.250 N/A LEU 9.A N GLU 5.A O no hydrogen 3.011 N/A GLY 10.A N LEU 6.A O no hydrogen 2.631 N/A GLY 11.A N THR 7.A O no hydrogen 3.028 N/A LEU 12.A N ALA 8.A O no hydrogen 3.289 N/A LEU 13.A N GLY 10.A O no hydrogen 2.965 N/A HIS 14.A ND1 ASP 15.A OD1 no hydrogen 2.726 N/A ILE 16.A N LEU 13.A O no hydrogen 3.335 N/A LYS 18.A NZ ASP 15.A OD2 no hydrogen 3.175 N/A LYS 18.A NZ SER 173.A O no hydrogen 2.950 N/A GLN 21.A N GLY 17.A O no hydrogen 3.287 N/A GLY 24.A N VAL 20.A O no hydrogen 2.821 N/A LEU 25.A N VAL 20.A O no hydrogen 3.508 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 3.376 N/A SER 31.A OG ASP 29.A OD2 no hydrogen 3.212 N/A THR 32.A N ASP 29.A OD1 no hydrogen 2.398 N/A THR 32.A OG1 ASP 29.A OD1 no hydrogen 3.278 N/A GLN 33.A N ASP 29.A O no hydrogen 2.458 N/A GLY 34.A N HIS 30.A O no hydrogen 2.604 N/A ALA 35.A N THR 32.A O no hydrogen 3.118 N/A ARG 36.A N THR 32.A O no hydrogen 3.223 N/A PHE 37.A N GLY 34.A O no hydrogen 3.413 N/A LEU 38.A N GLY 34.A O no hydrogen 3.339 N/A ARG 39.A N ALA 35.A O no hydrogen 2.942 N/A LEU 41.A N PHE 37.A O no hydrogen 2.805 N/A ALA 42.A N LEU 38.A O no hydrogen 2.661 N/A GLU 43.A N ARG 39.A O no hydrogen 3.398 N/A ASN 44.A N ASP 40.A O no hydrogen 3.423 N/A ARG 47.A N ALA 42.A O no hydrogen 2.905 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.796 N/A TYR 50.A N ARG 47.A O no hydrogen 3.498 N/A TYR 50.A OH LEU 150.A O no hydrogen 2.689 N/A GLU 51.A N ALA 48.A O no hydrogen 3.231 N/A LEU 52.A N GLU 49.A O no hydrogen 3.165 N/A LEU 53.A N GLU 49.A O no hydrogen 3.230 N/A SER 54.A OG GLU 51.A O no hydrogen 2.526 N/A PHE 56.A N LEU 53.A O no hydrogen 3.410 N/A SER 57.A OG SER 31.A O no hydrogen 2.919 N/A SER 57.A OG SER 54.A O no hydrogen 2.870 N/A GLU 58.A N LEU 55.A O no hydrogen 3.278 N/A ARG 66.A N LEU 62.A O no hydrogen 2.925 N/A ARG 66.A NH2 GLU 58.A OE1 no hydrogen 3.471 N/A ILE 67.A N MET 63.A O no hydrogen 2.788 N/A LYS 68.A N ILE 64.A O no hydrogen 2.885 N/A GLU 69.A N ARG 65.A O no hydrogen 2.764 N/A GLY 76.A N PRO 72.A O no hydrogen 3.220 N/A LEU 77.A N PRO 72.A O no hydrogen 2.674 N/A THR 78.A N ASP 81.A OD2 no hydrogen 3.368 N/A THR 78.A OG1 ASP 81.A OD2 no hydrogen 3.184 N/A VAL 82.A N MET 79.A O no hydrogen 3.126 N/A LEU 83.A N MET 79.A O no hydrogen 3.302 N/A ASN 84.A N GLU 80.A O no hydrogen 3.448 N/A ALA 85.A N ASP 81.A O no hydrogen 3.109 N/A LEU 86.A N VAL 82.A O no hydrogen 3.143 N/A TRP 87.A N LEU 83.A O no hydrogen 3.102 N/A ILE 88.A N ASN 84.A O no hydrogen 2.625 N/A VAL 89.A N ALA 85.A O no hydrogen 2.788 N/A TYR 90.A N LEU 86.A O no hydrogen 2.846 N/A GLU 91.A N TRP 87.A O no hydrogen 3.214 N/A ALA 92.A N ILE 88.A O no hydrogen 3.017 N/A ASP 93.A N VAL 89.A O no hydrogen 3.212 N/A ASN 94.A N GLU 91.A O no hydrogen 2.815 N/A LEU 95.A N GLU 91.A O no hydrogen 3.065 N/A LEU 95.A N ALA 92.A O no hydrogen 3.069 N/A ALA 96.A N ALA 92.A O no hydrogen 3.078 N/A SER 97.A OG ASN 94.A O no hydrogen 2.707 N/A TYR 105.A N ASN 179.A O no hydrogen 3.094 N/A SER 106.A N LYS 112.A O no hydrogen 3.234 N/A SER 106.A OG TYR 114.A OH no hydrogen 3.338 N/A PHE 108.A N SER 106.A OG no hydrogen 3.231 N/A LYS 112.A N ASN 109.A O no hydrogen 3.096 N/A ALA 113.A N GLY 129.A O no hydrogen 3.233 N/A TYR 114.A N LEU 104.A O no hydrogen 2.776 N/A TYR 114.A OH SER 106.A OG no hydrogen 3.338 N/A LEU 119.A N LYS 166.A O no hydrogen 2.948 N/A GLU 122.A N ASP 120.A OD1 no hydrogen 3.111 N/A GLY 129.A N ALA 113.A O no hydrogen 2.856 N/A PHE 132.A N ASP 130.A O no hydrogen 2.850 N/A ILE 134.A N SER 101.A O no hydrogen 2.724 N/A GLU 141.A N GLN 137.A O no hydrogen 3.471 N/A LEU 142.A N ASP 138.A O no hydrogen 3.087 N/A VAL 143.A N TYR 139.A O no hydrogen 2.978 N/A LYS 144.A N ARG 140.A O no hydrogen 2.957 N/A ARG 145.A N GLU 141.A O no hydrogen 3.076 N/A ARG 145.A NE GLU 118.A OE1 no hydrogen 3.107 N/A ARG 145.A NH1 GLU 141.A OE1 no hydrogen 3.422 N/A LEU 146.A N LEU 142.A O no hydrogen 2.804 N/A TRP 147.A N VAL 143.A O no hydrogen 2.839 N/A GLU 148.A N LYS 144.A O no hydrogen 3.350 N/A GLU 149.A N ARG 145.A O no hydrogen 3.181 N/A LEU 150.A N LEU 146.A O no hydrogen 2.982 N/A SER 151.A N TRP 147.A O no hydrogen 3.156 N/A SER 151.A OG TRP 147.A O no hydrogen 2.771 N/A LYS 152.A N GLU 149.A O no hydrogen 3.157 N/A LYS 154.A NZ GLU 407.A OE2 no hydrogen 2.703 N/A ARG 156.A NH1 ASP 158.A OD1 no hydrogen 2.991 N/A SER 157.A OG THR 263.A OG1 no hydrogen 3.217 N/A ARG 159.A N ARG 156.A O no hydrogen 3.045 N/A ARG 159.A NE ASP 158.A OD2 no hydrogen 3.171 N/A ARG 159.A NH2 PRO 406.A O no hydrogen 3.002 N/A ARG 159.A NH2 ALA 409.A O no hydrogen 2.704 N/A LEU 160.A N ARG 156.A O no hydrogen 3.022 N/A LEU 161.A N SER 157.A O no hydrogen 2.939 N/A LEU 164.A N LEU 160.A O no hydrogen 3.267 N/A GLU 165.A N LEU 161.A O no hydrogen 2.980 N/A LYS 166.A N PRO 162.A O no hydrogen 3.175 N/A LYS 166.A NZ ASN 401.A OD1 no hydrogen 3.456 N/A TYR 167.A N VAL 163.A O no hydrogen 3.338 N/A LEU 168.A N LEU 164.A O no hydrogen 3.028 N/A SER 172.A OG VAL 174.A O no hydrogen 2.562 N/A SER 173.A N ILE 181.A O no hydrogen 3.394 N/A SER 173.A OG ILE 181.A O no hydrogen 3.513 N/A THR 175.A OG1 GLN 99.A O no hydrogen 2.767 N/A ASN 179.A ND2 SER 172.A OG no hydrogen 2.594 N/A ASN 179.A ND2 ILE 181.A O no hydrogen 3.418 N/A SER 182.A N THR 469.A OG1 no hydrogen 3.365 N/A SER 182.A OG LEU 168.A O no hydrogen 3.569 N/A SER 182.A OG THR 169.A O no hydrogen 2.514 N/A LEU 183.A N VAL 171.A O no hydrogen 2.867 N/A TYR 184.A N LEU 168.A O no hydrogen 3.088 N/A HIS 186.A N SER 182.A O no hydrogen 3.246 N/A MET 187.A N LEU 183.A O no hydrogen 2.804 N/A ARG 188.A N TYR 184.A O no hydrogen 2.809 N/A ARG 188.A NH1 ASP 185.A OD1 no hydrogen 2.621 N/A ARG 188.A NH1 ALA 468.A O no hydrogen 3.460 N/A ARG 188.A NH2 VAL 267.A O no hydrogen 3.332 N/A MET 189.A N ASP 185.A O no hydrogen 2.852 N/A THR 190.A N HIS 186.A O no hydrogen 3.303 N/A THR 190.A OG1 GLY 11.A O no hydrogen 2.764 N/A THR 190.A OG1 HIS 186.A O no hydrogen 2.903 N/A THR 190.A OG1 MET 187.A O no hydrogen 2.680 N/A SER 191.A N MET 187.A O no hydrogen 3.208 N/A SER 191.A OG ALA 8.A O no hydrogen 2.645 N/A ALA 192.A N ARG 188.A O no hydrogen 3.161 N/A ILE 193.A N MET 189.A O no hydrogen 2.932 N/A ALA 194.A N THR 190.A O no hydrogen 2.744 N/A LEU 195.A N SER 191.A O no hydrogen 3.375 N/A ALA 196.A N ALA 192.A O no hydrogen 3.022 N/A MET 197.A N ILE 193.A O no hydrogen 3.163 N/A MET 197.A N ALA 194.A O no hydrogen 3.016 N/A LEU 198.A N ALA 194.A O no hydrogen 3.193 N/A ARG 199.A N LEU 195.A O no hydrogen 3.074 N/A ARG 199.A NE GLY 261.A O no hydrogen 3.260 N/A ARG 199.A NH2 GLY 261.A O no hydrogen 2.856 N/A ALA 200.A N ALA 196.A O no hydrogen 2.941 N/A GLY 201.A N MET 197.A O no hydrogen 3.210 N/A GLY 201.A N LEU 198.A O no hydrogen 2.919 N/A CYS 202.A SG MET 197.A O no hydrogen 3.539 N/A LYS 211.A N GLY 207.A O no hydrogen 3.304 N/A ARG 214.A NE ARG 208.A O no hydrogen 3.136 N/A ARG 214.A NE GLU 212.A OE1 no hydrogen 3.098 N/A ARG 214.A NH2 GLU 212.A OE1 no hydrogen 2.860 N/A PHE 215.A N VAL 317.A O no hydrogen 2.952 N/A LEU 216.A N ALA 279.A O no hydrogen 2.807 N/A LEU 217.A N GLU 315.A O no hydrogen 3.074 N/A ILE 218.A N ILE 277.A O no hydrogen 2.846 N/A GLU 219.A N GLU 313.A O no hydrogen 2.999 N/A GLY 220.A N PHE 275.A O no hydrogen 2.872 N/A ASP 221.A N ALA 311.A O no hydrogen 3.050 N/A PHE 222.A N GLY 273.A O no hydrogen 2.884 N/A SER 223.A N TYR 309.A O no hydrogen 2.978 N/A PHE 228.A N GLY 224.A O no hydrogen 2.882 N/A ILE 229.A N ILE 225.A O no hydrogen 2.957 N/A TYR 230.A N GLN 226.A O no hydrogen 2.653 N/A LEU 238.A N THR 234.A O no hydrogen 3.452 N/A ARG 239.A N LEU 235.A O no hydrogen 2.987 N/A ARG 239.A NE VAL 511.A O no hydrogen 3.291 N/A ARG 239.A NH2 ASP 418.A O no hydrogen 2.802 N/A ARG 239.A NH2 TYR 419.A O no hydrogen 3.326 N/A ALA 240.A N LYS 236.A O no hydrogen 3.050 N/A ARG 241.A N TYR 237.A O no hydrogen 2.883 N/A SER 242.A N LEU 238.A O no hydrogen 3.452 N/A SER 242.A OG VAL 512.A O no hydrogen 3.556 N/A ALA 243.A N ARG 239.A O no hydrogen 3.082 N/A TYR 244.A N ALA 240.A O no hydrogen 3.019 N/A TYR 244.A OH GLU 374.A O no hydrogen 2.784 N/A LEU 245.A N ARG 241.A O no hydrogen 3.032 N/A GLU 246.A N SER 242.A O no hydrogen 3.276 N/A LEU 247.A N ALA 243.A O no hydrogen 3.272 N/A ILE 248.A N TYR 244.A O no hydrogen 3.006 N/A GLY 249.A N LEU 245.A O no hydrogen 3.099 N/A TRP 250.A N GLU 246.A O no hydrogen 2.999 N/A ASP 251.A N LEU 247.A O no hydrogen 2.881 N/A VAL 252.A N ILE 248.A O no hydrogen 3.207 N/A VAL 253.A N GLY 249.A O no hydrogen 3.078 N/A LEU 254.A N TRP 250.A O no hydrogen 2.773 N/A GLU 255.A N ASP 251.A O no hydrogen 3.209 N/A ILE 256.A N VAL 252.A O no hydrogen 3.158 N/A LEU 257.A N VAL 253.A O no hydrogen 2.991 N/A SER 258.A N LEU 254.A O no hydrogen 2.839 N/A ARG 259.A N GLU 255.A O no hydrogen 2.996 N/A ARG 259.A NE GLU 255.A OE2 no hydrogen 2.768 N/A ARG 259.A NH2 GLU 255.A OE2 no hydrogen 3.016 N/A LEU 260.A N ILE 256.A O no hydrogen 3.163 N/A GLY 261.A N SER 258.A O no hydrogen 3.303 N/A LEU 262.A N LEU 257.A O no hydrogen 2.865 N/A THR 263.A OG1 SER 157.A OG no hydrogen 3.217 N/A ASN 266.A N THR 263.A O no hydrogen 2.872 N/A ASN 266.A ND2 THR 263.A O no hydrogen 3.149 N/A VAL 267.A N ARG 264.A O no hydrogen 3.009 N/A VAL 268.A N MET 276.A O no hydrogen 2.860 N/A ALA 271.A N HIS 274.A O no hydrogen 3.037 N/A HIS 274.A N ALA 271.A O no hydrogen 3.132 N/A HIS 274.A NE2 GLU 219.A OE2 no hydrogen 2.634 N/A PHE 275.A N GLY 220.A O no hydrogen 2.841 N/A MET 276.A N PHE 269.A O no hydrogen 2.958 N/A ILE 277.A N ILE 218.A O no hydrogen 2.703 N/A ILE 278.A N ASN 266.A O no hydrogen 3.026 N/A ALA 279.A N LEU 216.A O no hydrogen 3.080 N/A GLN 280.A N GLN 280.A OE1 no hydrogen 2.548 N/A GLN 280.A NE2 LEU 260.A O no hydrogen 2.759 N/A ASN 281.A N ARG 214.A O no hydrogen 3.137 N/A ASN 281.A ND2 LYS 213.A O no hydrogen 2.771 N/A ALA 285.A N THR 282.A OG1 no hydrogen 3.150 N/A VAL 286.A N THR 282.A O no hydrogen 3.262 N/A LYS 287.A N PRO 283.A O no hydrogen 3.415 N/A GLU 288.A N ASP 284.A O no hydrogen 2.954 N/A LEU 289.A N ALA 285.A O no hydrogen 2.784 N/A GLU 290.A N VAL 286.A O no hydrogen 3.156 N/A GLU 291.A N LYS 287.A O no hydrogen 3.198 N/A ILE 292.A N GLU 288.A O no hydrogen 3.043 N/A ARG 293.A N LEU 289.A O no hydrogen 2.761 N/A ARG 293.A NE ILE 312.A O no hydrogen 3.152 N/A ARG 293.A NH2 ILE 312.A O no hydrogen 3.367 N/A ALA 294.A N GLU 290.A O no hydrogen 2.823 N/A LYS 295.A N GLU 291.A O no hydrogen 3.067 N/A ALA 296.A N ILE 292.A O no hydrogen 2.956 N/A VAL 297.A N ARG 293.A O no hydrogen 3.026 N/A GLU 298.A N ALA 294.A O no hydrogen 2.993 N/A TRP 299.A N LYS 295.A O no hydrogen 3.045 N/A LEU 300.A N ALA 296.A O no hydrogen 3.121 N/A TYR 301.A N VAL 297.A O no hydrogen 3.093 N/A ARG 302.A N GLU 298.A O no hydrogen 3.216 N/A GLU 303.A N TRP 299.A O no hydrogen 3.057 N/A PHE 304.A N LEU 300.A O no hydrogen 3.065 N/A SER 306.A OG SER 306.A O no hydrogen 2.441 N/A ASP 307.A N PHE 304.A O no hydrogen 2.780 N/A TYR 309.A N SER 223.A O no hydrogen 2.936 N/A TYR 309.A OH GLU 350.A OE1 no hydrogen 2.821 N/A TYR 309.A OH GLU 350.A OE2 no hydrogen 2.989 N/A ALA 311.A N ASP 221.A O no hydrogen 3.015 N/A GLU 313.A N GLU 219.A O no hydrogen 3.174 N/A GLU 315.A N LEU 217.A O no hydrogen 3.013 N/A VAL 317.A N PHE 215.A O no hydrogen 2.740 N/A SER 318.A N GLU 321.A OE1 no hydrogen 3.054 N/A SER 318.A OG GLU 321.A OE1 no hydrogen 3.340 N/A ARG 320.A N ARG 210.A O no hydrogen 2.891 N/A GLU 321.A N SER 318.A O no hydrogen 3.088 N/A PHE 322.A N GLY 319.A O no hydrogen 3.287 N/A ASN 327.A ND2 MET 461.A O no hydrogen 3.408 N/A LEU 328.A N GLY 323.A O no hydrogen 3.273 N/A ALA 330.A N ASN 327.A OD1 no hydrogen 3.469 N/A GLU 331.A N ASN 327.A O no hydrogen 3.336 N/A ALA 332.A N LEU 328.A O no hydrogen 2.882 N/A ARG 333.A N PHE 329.A O no hydrogen 2.822 N/A LYS 334.A N ALA 330.A O no hydrogen 2.899 N/A ARG 335.A N GLU 331.A O no hydrogen 3.164 N/A ARG 335.A NE GLU 315.A OE1 no hydrogen 2.521 N/A LYS 337.A N ARG 333.A O no hydrogen 2.792 N/A HIS 338.A N LYS 334.A O no hydrogen 3.110 N/A LYS 339.A N ARG 335.A O no hydrogen 3.269 N/A LEU 340.A N LEU 336.A O no hydrogen 3.020 N/A THR 341.A N LYS 337.A O no hydrogen 3.030 N/A THR 341.A OG1 HIS 338.A O no hydrogen 2.795 N/A VAL 342.A N HIS 338.A O no hydrogen 3.309 N/A ARG 343.A N LYS 339.A O no hydrogen 3.163 N/A ARG 343.A NE GLU 313.A OE1 no hydrogen 3.341 N/A LYS 344.A N LEU 340.A O no hydrogen 2.795 N/A LYS 344.A NZ ASP 221.A OD2 no hydrogen 2.952 N/A LEU 345.A N THR 341.A O no hydrogen 3.230 N/A LEU 345.A N VAL 342.A O no hydrogen 3.072 N/A LYS 346.A N ARG 343.A O no hydrogen 3.023 N/A ARG 347.A NH2 ASP 307.A O no hydrogen 3.070 N/A GLY 349.A N LYS 346.A O no hydrogen 3.025 N/A GLU 350.A N GLU 350.A OE2 no hydrogen 2.853 N/A ILE 351.A N PHE 348.A O no hydrogen 3.168 N/A PHE 355.A N LYS 352.A O no hydrogen 3.479 N/A LEU 359.A N TYR 383.A O no hydrogen 2.816 N/A PHE 361.A N LEU 395.A O no hydrogen 2.727 N/A GLY 362.A N VAL 381.A O no hydrogen 2.753 N/A ARG 363.A N GLN 393.A O no hydrogen 2.843 N/A ARG 363.A NE GLN 393.A OE1 no hydrogen 2.784 N/A ARG 363.A NH1 SER 378.A OG no hydrogen 2.635 N/A ARG 363.A NH2 GLN 393.A OE1 no hydrogen 2.948 N/A THR 364.A N GLY 379.A O no hydrogen 2.989 N/A THR 364.A OG1 ALA 365.A O no hydrogen 3.516 N/A THR 364.A OG1 GLY 379.A O no hydrogen 3.533 N/A LYS 366.A NZ PRO 376.A O no hydrogen 3.503 N/A LEU 372.A N PHE 380.A O no hydrogen 3.127 N/A GLY 375.A N SER 378.A O no hydrogen 2.848 N/A PHE 377.A N ASP 251.A OD2 no hydrogen 2.900 N/A SER 378.A N ASP 251.A OD2 no hydrogen 3.206 N/A SER 378.A OG ASP 251.A OD1 no hydrogen 2.573 N/A GLY 379.A N THR 364.A O no hydrogen 2.976 N/A PHE 380.A N VAL 373.A O no hydrogen 3.059 N/A VAL 381.A N GLY 362.A O no hydrogen 2.943 N/A TYR 383.A N GLY 360.A O no hydrogen 2.920 N/A GLN 385.A NE2 GLN 385.A O no hydrogen 3.349 N/A GLY 387.A N LEU 384.A O no hydrogen 3.331 N/A ILE 394.A N GLN 410.A O no hydrogen 2.896 N/A LEU 395.A N PHE 361.A O no hydrogen 2.751 N/A VAL 396.A N VAL 412.A O no hydrogen 3.053 N/A LYS 397.A N LEU 359.A O no hydrogen 2.733 N/A LYS 397.A NZ ASP 418.A OD2 no hydrogen 3.236 N/A ASN 398.A N TYR 414.A O no hydrogen 3.061 N/A ASN 398.A ND2 VAL 416.A O no hydrogen 3.512 N/A ALA 409.A N PRO 406.A O no hydrogen 3.206 N/A GLN 410.A N GLU 392.A O no hydrogen 3.031 N/A VAL 412.A N ILE 394.A O no hydrogen 3.141 N/A TYR 414.A N VAL 396.A O no hydrogen 2.922 N/A VAL 416.A N ASN 398.A OD1 no hydrogen 3.212 N/A LYS 421.A N ILE 509.A O no hydrogen 2.982 N/A LYS 421.A NZ GLU 506.A O no hydrogen 3.495 N/A LYS 421.A NZ ASP 508.A OD2 no hydrogen 2.761 N/A ASP 423.A N GLY 427.A O no hydrogen 2.971 N/A ALA 429.A N LYS 421.A O no hydrogen 2.929 N/A GLU 432.A N THR 430.A OG1 no hydrogen 3.286 N/A GLU 433.A N THR 430.A OG1 no hydrogen 3.241 N/A LEU 434.A N THR 430.A O no hydrogen 3.045 N/A SER 435.A N PHE 431.A O no hydrogen 3.067 N/A SER 435.A OG GLU 558.A OE2 no hydrogen 3.195 N/A MET 436.A N GLU 432.A O no hydrogen 3.081 N/A ALA 437.A N LEU 434.A O no hydrogen 3.320 N/A SER 438.A OG SER 435.A O no hydrogen 2.727 N/A SER 438.A OG THR 441.A O no hydrogen 3.190 N/A THR 439.A N ASP 526.A OD1 no hydrogen 2.895 N/A THR 439.A OG1 ASP 526.A OD2 no hydrogen 3.160 N/A THR 441.A N MET 697.A O no hydrogen 2.975 N/A THR 441.A OG1 MET 697.A O no hydrogen 3.193 N/A LEU 444.A N PHE 556.A O no hydrogen 2.885 N/A GLY 445.A N GLY 523.A O no hydrogen 2.688 N/A VAL 446.A N GLY 554.A O no hydrogen 2.711 N/A MET 447.A N ILE 521.A O no hydrogen 2.981 N/A LYS 448.A N GLY 552.A O no hydrogen 2.958 N/A LYS 448.A NZ SER 570.A OG no hydrogen 2.879 N/A GLY 449.A N PHE 519.A O no hydrogen 3.057 N/A ASP 450.A N SER 550.A O no hydrogen 3.028 N/A VAL 451.A N ASP 517.A O no hydrogen 2.874 N/A ASP 452.A N THR 548.A O no hydrogen 2.848 N/A PHE 457.A N ARG 453.A O no hydrogen 3.272 N/A PHE 458.A N LEU 454.A O no hydrogen 2.931 N/A SER 459.A N GLY 455.A O no hydrogen 3.219 N/A SER 460.A N PHE 457.A O no hydrogen 3.072 N/A SER 460.A OG PHE 457.A O no hydrogen 2.505 N/A MET 461.A N PHE 458.A O no hydrogen 3.243 N/A SER 465.A OG ALA 96.A O no hydrogen 2.567 N/A LYS 466.A N SER 463.A OG no hydrogen 3.419 N/A LYS 466.A NZ ASP 462.A OD2 no hydrogen 3.202 N/A LEU 467.A N SER 463.A O no hydrogen 3.076 N/A ALA 468.A N PRO 464.A O no hydrogen 2.849 N/A THR 469.A N SER 465.A O no hydrogen 3.106 N/A THR 469.A OG1 ASP 185.A OD2 no hydrogen 2.649 N/A THR 469.A OG1 SER 465.A O no hydrogen 2.902 N/A ALA 470.A N LYS 466.A O no hydrogen 2.955 N/A SER 471.A N LEU 467.A O no hydrogen 2.821 N/A ARG 472.A N ALA 468.A O no hydrogen 3.140 N/A ARG 472.A NE ASP 185.A OD1 no hydrogen 2.687 N/A ARG 472.A NH1 THR 169.A OG1 no hydrogen 2.626 N/A ARG 472.A NH1 ASP 185.A OD2 no hydrogen 3.104 N/A ARG 472.A NH2 GLU 165.A OE1 no hydrogen 3.259 N/A ARG 472.A NH2 THR 169.A OG1 no hydrogen 2.827 N/A PHE 473.A N THR 469.A O no hydrogen 3.019 N/A MET 474.A N ALA 470.A O no hydrogen 3.110 N/A ASP 475.A N SER 471.A O no hydrogen 2.976 N/A TYR 476.A N ARG 472.A O no hydrogen 2.878 N/A TYR 476.A N PHE 473.A O no hydrogen 3.183 N/A TYR 476.A OH GLU 165.A OE1 no hydrogen 2.402 N/A PHE 477.A N PHE 473.A O no hydrogen 3.150 N/A LYS 479.A N ASP 475.A O no hydrogen 2.958 N/A LYS 479.A NZ ASN 270.A O no hydrogen 3.282 N/A LYS 479.A NZ ASP 475.A OD2 no hydrogen 2.848 N/A GLY 480.A N TYR 476.A O no hydrogen 2.745 N/A TYR 481.A N PHE 477.A O no hydrogen 3.224 N/A ILE 485.A N TYR 481.A O no hydrogen 2.998 N/A ILE 486.A N ILE 482.A O no hydrogen 3.211 N/A GLU 487.A N GLY 483.A O no hydrogen 3.220 N/A GLY 488.A N ALA 484.A O no hydrogen 3.046 N/A LYS 489.A N ALA 484.A O no hydrogen 3.223 N/A LYS 489.A NZ GLU 122.A O no hydrogen 2.355 N/A ILE 494.A N PHE 490.A O no hydrogen 2.775 N/A GLY 495.A N GLY 491.A O no hydrogen 2.846 N/A TRP 503.A NE1 ILE 486.A O no hydrogen 2.995 N/A ASP 508.A N GLN 527.A OE1 no hydrogen 2.792 N/A VAL 510.A N VAL 522.A O no hydrogen 2.802 N/A VAL 511.A N TYR 419.A O no hydrogen 3.029 N/A VAL 512.A N PHE 520.A O no hydrogen 2.965 N/A TYR 513.A N PHE 520.A O no hydrogen 3.136 N/A GLY 515.A N ALA 518.A O no hydrogen 3.035 N/A GLY 516.A N ASP 475.A OD1 no hydrogen 2.857 N/A ALA 518.A N GLY 515.A O no hydrogen 3.237 N/A PHE 519.A N GLY 449.A O no hydrogen 3.083 N/A PHE 520.A N TYR 513.A O no hydrogen 2.710 N/A ILE 521.A N MET 447.A O no hydrogen 3.077 N/A VAL 522.A N VAL 510.A O no hydrogen 3.128 N/A GLY 523.A N GLY 445.A O no hydrogen 3.000 N/A ALA 524.A N ASP 508.A O no hydrogen 3.066 N/A TRP 525.A N ARG 443.A O no hydrogen 3.368 N/A GLN 527.A NE2 ASP 508.A OD1 no hydrogen 3.039 N/A ILE 528.A N ALA 524.A O no hydrogen 3.009 N/A PHE 529.A N TRP 525.A O no hydrogen 2.954 N/A GLU 530.A N ASP 526.A O no hydrogen 3.158 N/A LEU 531.A N GLN 527.A O no hydrogen 2.943 N/A ALA 532.A N ILE 528.A O no hydrogen 3.116 N/A PHE 533.A N GLU 530.A O no hydrogen 3.129 N/A ARG 534.A N GLU 530.A O no hydrogen 3.088 N/A ARG 534.A NE GLU 530.A OE2 no hydrogen 3.007 N/A ARG 534.A NH2 GLU 530.A OE2 no hydrogen 3.347 N/A VAL 535.A N LEU 531.A O no hydrogen 2.791 N/A ARG 536.A N ALA 532.A O no hydrogen 3.285 N/A ARG 536.A NH1 GLU 607.A OE2 no hydrogen 3.083 N/A ARG 537.A N PHE 533.A O no hydrogen 2.931 N/A ARG 537.A NH2 ASP 496.A O no hydrogen 3.197 N/A ALA 538.A N ARG 534.A O no hydrogen 3.036 N/A PHE 539.A N VAL 535.A O no hydrogen 2.959 N/A ASN 540.A N ARG 536.A O no hydrogen 2.989 N/A ALA 541.A N ARG 537.A O no hydrogen 2.960 N/A TYR 542.A N ALA 538.A O no hydrogen 2.730 N/A TYR 542.A OH PHE 473.A O no hydrogen 2.534 N/A THR 543.A N PHE 539.A O no hydrogen 3.008 N/A THR 543.A OG1 PHE 539.A O no hydrogen 2.780 N/A THR 543.A OG1 ASN 540.A O no hydrogen 3.397 N/A GLY 545.A N ASN 540.A O no hydrogen 2.840 N/A THR 548.A OG1 ASP 452.A OD2 no hydrogen 2.513 N/A SER 550.A N ASP 450.A O no hydrogen 2.990 N/A SER 550.A OG ASP 452.A OD1 no hydrogen 2.736 N/A SER 550.A OG ASP 452.A OD2 no hydrogen 3.282 N/A VAL 551.A N ARG 583.A O no hydrogen 3.307 N/A GLY 552.A N LYS 448.A O no hydrogen 2.841 N/A LEU 553.A N PHE 585.A O no hydrogen 2.940 N/A GLY 554.A N VAL 446.A O no hydrogen 2.713 N/A TYR 555.A OH VAL 586.A O no hydrogen 2.696 N/A PHE 556.A N LEU 444.A O no hydrogen 3.145 N/A ARG 559.A N ASP 557.A OD1 no hydrogen 2.709 N/A THR 560.A N ASP 557.A O no hydrogen 2.978 N/A THR 560.A OG1 ASP 557.A O no hydrogen 2.648 N/A MET 565.A N PRO 561.A O no hydrogen 3.348 N/A ALA 566.A N ILE 562.A O no hydrogen 2.834 N/A ASP 567.A N TYR 563.A O no hydrogen 2.956 N/A VAL 568.A N ARG 564.A O no hydrogen 2.854 N/A VAL 569.A N MET 565.A O no hydrogen 3.061 N/A SER 570.A N ALA 566.A O no hydrogen 3.097 N/A SER 570.A OG ALA 566.A O no hydrogen 2.709 N/A GLU 571.A N ASP 567.A O no hydrogen 3.057 N/A ARG 572.A N VAL 568.A O no hydrogen 2.879 N/A ARG 572.A NH1 LEU 553.A O no hydrogen 2.885 N/A LEU 573.A N VAL 569.A O no hydrogen 2.744 N/A ASP 574.A N SER 570.A O no hydrogen 2.857 N/A THR 575.A N GLU 571.A O no hydrogen 3.132 N/A THR 575.A OG1 GLU 571.A O no hydrogen 2.761 N/A ALA 576.A N ARG 572.A O no hydrogen 3.062 N/A LYS 577.A N LEU 573.A O no hydrogen 3.102 N/A LYS 577.A NZ ASP 450.A O no hydrogen 3.359 N/A LYS 577.A NZ ASP 452.A OD1 no hydrogen 2.630 N/A ASP 578.A N ASP 574.A O no hydrogen 2.987 N/A GLU 579.A N THR 575.A O no hydrogen 2.801 N/A ASN 582.A N ASP 452.A OD2 no hydrogen 2.939 N/A ARG 583.A NE SER 600.A OG no hydrogen 3.119 N/A ARG 583.A NH1 SER 600.A O no hydrogen 2.842 N/A VAL 584.A N TYR 601.A O no hydrogen 2.804 N/A PHE 585.A N VAL 551.A O no hydrogen 2.904 N/A ARG 589.A NE LEU 599.A O no hydrogen 3.059 N/A ARG 589.A NH1 LEU 599.A O no hydrogen 3.375 N/A ARG 589.A NH2 ASP 689.A OD1 no hydrogen 2.876 N/A SER 590.A OG GLU 643.A OE2 no hydrogen 3.006 N/A ARG 591.A NH1 HIS 597.A O no hydrogen 3.116 N/A LYS 596.A N ASP 594.A OD1 no hydrogen 3.512 N/A LYS 598.A NZ GLU 579.A O no hydrogen 3.065 N/A LEU 599.A N GLU 579.A OE1 no hydrogen 3.489 N/A LEU 599.A N GLU 579.A OE2 no hydrogen 2.903 N/A SER 600.A N GLU 579.A OE2 no hydrogen 3.033 N/A SER 600.A OG GLU 579.A OE2 no hydrogen 2.775 N/A TYR 601.A N VAL 584.A O no hydrogen 2.938 N/A TYR 601.A OH TRP 687.A O no hydrogen 2.668 N/A TRP 603.A NE1 LEU 549.A O no hydrogen 3.209 N/A ASN 604.A ND2 GLU 607.A OE1 no hydrogen 3.294 N/A TYR 606.A N GLU 602.A O no hydrogen 2.952 N/A TYR 606.A OH GLY 690.A O no hydrogen 2.829 N/A GLU 607.A N TRP 603.A O no hydrogen 2.853 N/A GLU 608.A N ASN 604.A O no hydrogen 2.915 N/A LEU 609.A N HIS 605.A O no hydrogen 3.123 N/A TRP 610.A N TYR 606.A O no hydrogen 2.805 N/A ARG 611.A N GLU 607.A O no hydrogen 3.131 N/A THR 612.A N GLU 608.A O no hydrogen 3.136 N/A THR 612.A OG1 GLU 608.A O no hydrogen 2.888 N/A TYR 613.A N LEU 609.A O no hydrogen 3.119 N/A ALA 614.A N TRP 610.A O no hydrogen 3.087 N/A ARG 616.A N TYR 613.A O no hydrogen 3.273 N/A ILE 617.A N ALA 614.A O no hydrogen 3.250 N/A TYR 618.A N ALA 614.A O no hydrogen 2.781 N/A TYR 618.A OH LEU 500.A O no hydrogen 2.624 N/A ALA 619.A N ARG 623.A O no hydrogen 3.186 N/A GLY 622.A N TYR 618.A OH no hydrogen 3.003 N/A ARG 623.A N GLY 620.A O no hydrogen 3.154 N/A LYS 625.A N ILE 617.A O no hydrogen 3.324 N/A LEU 628.A N LYS 625.A O no hydrogen 2.640 N/A GLU 629.A N GLY 626.A O no hydrogen 3.408 N/A SER 630.A OG GLU 629.A O no hydrogen 2.693 N/A LYS 631.A N LEU 628.A O no hydrogen 2.622 N/A LEU 634.A N LYS 631.A O no hydrogen 3.134 N/A LEU 635.A N LYS 632.A O no hydrogen 2.792 N/A LYS 637.A N GLY 633.A O no hydrogen 3.058 N/A LEU 638.A N LEU 634.A O no hydrogen 2.877 N/A LEU 639.A N LEU 635.A O no hydrogen 3.129 N/A GLU 640.A N TRP 636.A O no hydrogen 2.757 N/A ILE 641.A N LYS 637.A O no hydrogen 2.721 N/A ARG 642.A N LEU 638.A O no hydrogen 2.691 N/A ARG 642.A NH1 SER 590.A O no hydrogen 3.516 N/A ARG 642.A NH1 TYR 686.A O no hydrogen 2.630 N/A ARG 642.A NH2 SER 590.A O no hydrogen 2.619 N/A GLU 643.A N LEU 639.A O no hydrogen 2.986 N/A LEU 644.A N ILE 641.A O no hydrogen 3.044 N/A VAL 646.A N ARG 642.A O no hydrogen 3.084 N/A ARG 647.A N GLU 643.A O no hydrogen 3.201 N/A ARG 647.A NH1 GLU 643.A OE1 no hydrogen 2.897 N/A ASP 648.A N LEU 644.A O no hydrogen 3.345 N/A ASP 651.A N ASP 648.A OD1 no hydrogen 3.101 N/A ALA 655.A N VAL 652.A O no hydrogen 2.543 N/A LEU 657.A N ARG 653.A O no hydrogen 2.840 N/A THR 658.A N TRP 654.A O no hydrogen 2.859 N/A THR 658.A OG1 TRP 654.A O no hydrogen 3.192 N/A THR 658.A OG1 ALA 655.A O no hydrogen 2.835 N/A TYR 660.A N TYR 656.A O no hydrogen 3.327 N/A LEU 661.A N LEU 657.A O no hydrogen 2.865 N/A LEU 662.A N THR 658.A O no hydrogen 3.054 N/A ALA 676.A N ASP 673.A OD1 no hydrogen 2.834 N/A GLU 678.A N THR 674.A O no hydrogen 2.752 N/A ARG 679.A N LYS 675.A O no hydrogen 2.776 N/A GLU 681.A N ALA 676.A O no hydrogen 2.697 N/A GLN 683.A N TYR 645.A OH no hydrogen 2.978 N/A GLN 683.A NE2 ASP 673.A O no hydrogen 2.885 N/A TYR 686.A N GLN 683.A O no hydrogen 2.895 N/A TYR 686.A OH LYS 598.A O no hydrogen 2.663 N/A TRP 687.A N PRO 684.A O no hydrogen 3.032 N/A VAL 688.A N VAL 685.A O no hydrogen 3.310 N/A GLY 690.A N TRP 687.A O no hydrogen 3.394 N/A VAL 691.A N VAL 688.A O no hydrogen 2.962 N/A LEU 692.A N VAL 688.A O no hydrogen 3.166 N/A LYS 693.A N ASP 689.A O no hydrogen 3.157 N/A LYS 693.A NZ GLY 588.A O no hydrogen 2.584 N/A VAL 695.A N VAL 691.A O no hydrogen 3.124 N/A LEU 696.A N LEU 692.A O no hydrogen 2.721 N/A MET 697.A N LYS 693.A O no hydrogen 3.021 N/A ALA 698.A N ILE 694.A O no hydrogen 3.037 N/A