Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7dr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 172.A O no hydrogen 2.727 N/A ASP 7.A N LYS 170.A O no hydrogen 2.590 N/A HIS 21.A ND1 VAL 18.A O no hydrogen 2.950 N/A THR 32.A OG1 THR 34.A OG1 no hydrogen 2.723 N/A THR 33.A OG1 GLN 702.A O no hydrogen 2.378 N/A THR 34.A OG1 THR 32.A OG1 no hydrogen 2.723 N/A ILE 36.A N THR 33.A O no hydrogen 3.284 N/A ASN 38.A N THR 34.A O no hydrogen 2.700 N/A LEU 39.A N TRP 35.A O no hydrogen 2.907 N/A HIS 40.A ND1 ILE 36.A O no hydrogen 3.053 N/A SER 48.A N ASP 45.A O no hydrogen 3.497 N/A SER 48.A OG ASP 45.A O no hydrogen 3.054 N/A SER 48.A OG ASP 45.A OD2 no hydrogen 3.441 N/A TYR 49.A OH VAL 43.A O no hydrogen 2.375 N/A THR 50.A OG1 PHE 46.A O no hydrogen 2.352 N/A GLU 54.A N ASP 52.A OD2 no hydrogen 3.139 N/A VAL 56.A N ASP 52.A O no hydrogen 2.945 N/A SER 57.A N LEU 53.A O no hydrogen 3.190 N/A SER 57.A OG LEU 53.A O no hydrogen 2.714 N/A SER 57.A OG GLU 54.A O no hydrogen 2.857 N/A ARG 58.A NE PRO 173.A O no hydrogen 2.651 N/A ARG 58.A NH2 PRO 173.A O no hydrogen 3.339 N/A LYS 59.A N GLU 55.A O no hydrogen 3.412 N/A LYS 59.A NZ GLU 55.A OE2 no hydrogen 2.542 N/A LYS 59.A NZ TYR 168.A OH no hydrogen 2.510 N/A ILE 60.A N VAL 56.A O no hydrogen 3.031 N/A PHE 61.A N SER 57.A O no hydrogen 3.142 N/A SER 62.A N ARG 58.A O no hydrogen 3.110 N/A SER 62.A OG GLY 164.A O no hydrogen 2.628 N/A ALA 63.A N LYS 59.A O no hydrogen 3.190 N/A HIS 64.A N ILE 60.A O no hydrogen 3.250 N/A GLY 66.A N SER 62.A O no hydrogen 3.168 N/A HIS 67.A N ALA 63.A O no hydrogen 2.891 N/A LEU 68.A N HIS 64.A O no hydrogen 2.786 N/A ALA 69.A N PHE 65.A O no hydrogen 2.882 N/A VAL 70.A N GLY 66.A O no hydrogen 3.307 N/A VAL 71.A N HIS 67.A O no hydrogen 3.333 N/A PHE 72.A N LEU 68.A O no hydrogen 3.301 N/A ILE 73.A N ALA 69.A O no hydrogen 2.874 N/A TRP 74.A N VAL 70.A O no hydrogen 3.126 N/A LEU 75.A N VAL 71.A O no hydrogen 2.684 N/A SER 76.A N PHE 72.A O no hydrogen 2.923 N/A SER 76.A OG PHE 72.A O no hydrogen 3.001 N/A SER 76.A OG ILE 73.A O no hydrogen 2.571 N/A GLY 77.A N ILE 73.A O no hydrogen 3.187 N/A ALA 78.A N TRP 74.A O no hydrogen 3.046 N/A TYR 79.A N LEU 75.A O no hydrogen 3.240 N/A TYR 79.A N SER 76.A O no hydrogen 3.098 N/A PHE 80.A N SER 76.A O no hydrogen 2.671 N/A HIS 81.A N GLY 77.A O no hydrogen 3.331 N/A ALA 83.A N TYR 79.A O no hydrogen 2.972 N/A ALA 83.A N PHE 80.A O no hydrogen 3.100 N/A ARG 84.A N PHE 80.A O no hydrogen 2.899 N/A ARG 84.A NH1 ARG 84.A O no hydrogen 2.933 N/A SER 86.A OG HIS 81.A O no hydrogen 2.379 N/A SER 86.A OG SER 101.A O no hydrogen 3.491 N/A ASN 87.A ND2 LYS 99.A O no hydrogen 3.278 N/A TYR 88.A OH ILE 140.A O no hydrogen 2.413 N/A TRP 91.A N ASN 87.A O no hydrogen 2.967 N/A LEU 92.A N TYR 88.A O no hydrogen 3.327 N/A THR 96.A OG1 ASN 94.A OD1 no hydrogen 3.272 N/A ILE 98.A N ASN 94.A O no hydrogen 3.400 N/A LYS 99.A N VAL 118.A O no hydrogen 3.149 N/A SER 101.A N ASN 87.A OD1 no hydrogen 3.302 N/A SER 101.A OG ALA 102.A O no hydrogen 3.457 N/A SER 101.A OG ILE 125.A O no hydrogen 2.808 N/A ALA 102.A N ILE 125.A O no hydrogen 2.998 N/A VAL 105.A N ASN 115.A OD1 no hydrogen 2.902 N/A ILE 108.A N TRP 106.A O no hydrogen 2.884 N/A ILE 113.A N GLY 110.A O no hydrogen 3.275 N/A LEU 114.A N GLN 111.A O no hydrogen 3.200 N/A ASN 115.A ND2 VAL 105.A O no hydrogen 2.650 N/A GLY 116.A N GLY 124.A O no hydrogen 3.281 N/A GLN 123.A NE2 ASP 117.A OD1 no hydrogen 3.448 N/A ILE 125.A N ALA 102.A O no hydrogen 3.021 N/A ILE 127.A N PRO 100.A O no hydrogen 2.627 N/A THR 128.A OG1 HIS 732.A NE2 no hydrogen 2.653 N/A MET 134.A N GLY 130.A O no hydrogen 2.968 N/A TRP 135.A N LEU 131.A O no hydrogen 2.921 N/A ARG 136.A N PHE 132.A O no hydrogen 3.172 N/A ALA 137.A N GLN 133.A O no hydrogen 3.285 N/A SER 138.A N MET 134.A O no hydrogen 2.933 N/A SER 138.A OG MET 134.A O no hydrogen 3.372 N/A GLY 139.A N ARG 136.A O no hydrogen 3.337 N/A ILE 140.A N TRP 135.A O no hydrogen 2.825 N/A THR 141.A N GLN 145.A OE1 no hydrogen 2.914 N/A THR 141.A OG1 GLN 145.A OE1 no hydrogen 3.555 N/A THR 142.A N GLN 145.A OE1 no hydrogen 2.729 N/A THR 142.A OG1 GLN 145.A OE1 no hydrogen 2.835 N/A TYR 147.A N GLU 143.A O no hydrogen 2.949 N/A VAL 148.A N LEU 144.A O no hydrogen 3.387 N/A THR 149.A N GLN 145.A O no hydrogen 3.453 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.498 N/A ALA 150.A N LEU 146.A O no hydrogen 3.306 N/A ILE 151.A N TYR 147.A O no hydrogen 3.034 N/A GLY 152.A N VAL 148.A O no hydrogen 2.571 N/A ALA 153.A N THR 149.A O no hydrogen 2.981 N/A LEU 154.A N ALA 150.A O no hydrogen 3.290 N/A VAL 155.A N ILE 151.A O no hydrogen 3.132 N/A MET 156.A N GLY 152.A O no hydrogen 3.311 N/A ALA 157.A N ALA 153.A O no hydrogen 2.840 N/A ALA 158.A N LEU 154.A O no hydrogen 2.988 N/A LEU 159.A N VAL 155.A O no hydrogen 2.889 N/A MET 160.A N MET 156.A O no hydrogen 3.062 N/A LEU 161.A N ALA 157.A O no hydrogen 2.936 N/A PHE 162.A N ALA 158.A O no hydrogen 2.771 N/A ALA 163.A N LEU 159.A O no hydrogen 2.919 N/A GLY 164.A N MET 160.A O no hydrogen 2.994 N/A TRP 165.A N LEU 161.A O no hydrogen 3.328 N/A TRP 165.A NE1 THR 11.A OG1 no hydrogen 2.893 N/A PHE 166.A N PHE 162.A O no hydrogen 2.948 N/A HIS 167.A N ALA 163.A O no hydrogen 3.092 N/A TYR 168.A OH GLU 55.A OE2 no hydrogen 2.345 N/A HIS 169.A N TRP 165.A O no hydrogen 2.930 N/A LYS 170.A N PHE 166.A O no hydrogen 3.243 N/A ALA 171.A N PHE 166.A O no hydrogen 2.602 N/A ALA 172.A N ASP 5.A O no hydrogen 2.938 N/A LYS 174.A N VAL 3.A O no hydrogen 3.202 N/A LYS 174.A NZ GLU 54.A OE2 no hydrogen 3.359 N/A PHE 178.A N LEU 175.A O no hydrogen 3.057 N/A GLN 179.A N LEU 175.A O no hydrogen 3.235 N/A GLN 179.A NE2 THR 333.A O no hydrogen 3.044 N/A ALA 181.A N GLN 179.A O no hydrogen 2.905 N/A SER 183.A OG HIS 187.A ND1 no hydrogen 3.150 N/A MET 184.A N ASN 180.A O no hydrogen 3.250 N/A MET 185.A N ALA 181.A O no hydrogen 2.863 N/A ASN 186.A N GLU 182.A O no hydrogen 3.009 N/A ASN 186.A ND2 TYR 299.A O no hydrogen 2.623 N/A HIS 187.A N SER 183.A O no hydrogen 2.975 N/A HIS 187.A ND1 SER 183.A O no hydrogen 2.575 N/A HIS 188.A N MET 184.A O no hydrogen 3.182 N/A LEU 189.A N MET 185.A O no hydrogen 3.369 N/A GLY 190.A N ASN 186.A O no hydrogen 3.218 N/A GLY 191.A N HIS 187.A O no hydrogen 2.639 N/A LEU 192.A N HIS 187.A O no hydrogen 3.391 N/A PHE 193.A N HIS 188.A O no hydrogen 2.704 N/A LEU 195.A N GLY 190.A O no hydrogen 2.877 N/A SER 197.A OG PHE 193.A O no hydrogen 2.424 N/A SER 197.A OG GLY 194.A O no hydrogen 3.107 N/A LEU 198.A N GLY 194.A O no hydrogen 2.737 N/A SER 199.A N LEU 195.A O no hydrogen 2.875 N/A SER 199.A OG LEU 195.A O no hydrogen 3.107 N/A TRP 200.A N GLY 196.A O no hydrogen 3.304 N/A ALA 201.A N SER 197.A O no hydrogen 3.282 N/A GLY 202.A N LEU 198.A O no hydrogen 2.951 N/A HIS 203.A N SER 199.A O no hydrogen 2.882 N/A HIS 203.A NE2 SER 138.A O no hydrogen 2.643 N/A GLN 204.A N TRP 200.A O no hydrogen 2.766 N/A ILE 205.A N ALA 201.A O no hydrogen 3.084 N/A HIS 206.A N GLY 202.A O no hydrogen 3.264 N/A VAL 207.A N HIS 203.A O no hydrogen 2.854 N/A SER 208.A N HIS 203.A O no hydrogen 3.144 N/A SER 208.A OG ALA 137.A O no hydrogen 3.047 N/A SER 208.A OG SER 138.A O no hydrogen 3.248 N/A LEU 209.A N GLN 204.A O no hydrogen 2.932 N/A ASN 212.A N SER 208.A O no hydrogen 3.109 N/A ASN 212.A ND2 ARG 136.A O no hydrogen 3.538 N/A LYS 213.A N LEU 209.A O no hydrogen 3.361 N/A LEU 215.A N VAL 211.A O no hydrogen 3.076 N/A ASP 216.A N ASN 212.A O no hydrogen 2.893 N/A SER 217.A N LYS 213.A O no hydrogen 3.190 N/A SER 217.A OG LYS 213.A O no hydrogen 3.123 N/A SER 217.A OG LEU 214.A O no hydrogen 3.104 N/A GLY 218.A N LEU 214.A O no hydrogen 3.164 N/A SER 220.A OG GLN 222.A OE1 no hydrogen 2.617 N/A GLN 222.A N SER 220.A OG no hydrogen 3.022 N/A GLU 229.A N LEU 226.A O no hydrogen 2.891 N/A ILE 231.A N HIS 228.A O no hydrogen 3.132 N/A LEU 232.A N HIS 228.A O no hydrogen 3.325 N/A ASN 233.A N GLU 229.A O no hydrogen 3.201 N/A LYS 234.A NZ PHE 244.A O no hydrogen 2.660 N/A LEU 236.A N ASN 233.A O no hydrogen 3.278 N/A ILE 237.A N ASN 233.A O no hydrogen 3.440 N/A ALA 238.A N LYS 234.A O no hydrogen 3.219 N/A GLN 239.A N LEU 236.A O no hydrogen 3.265 N/A TYR 241.A OH ILE 205.A O no hydrogen 3.224 N/A SER 243.A N TYR 241.A O no hydrogen 2.567 N/A SER 243.A OG GLU 258.A O no hydrogen 2.962 N/A SER 243.A OG ASP 261.A OD1 no hydrogen 3.009 N/A SER 243.A OG ASP 261.A OD2 no hydrogen 2.614 N/A GLN 246.A NE2 GLU 258.A OE2 no hydrogen 3.411 N/A THR 249.A OG1 GLN 246.A O no hydrogen 2.607 N/A PHE 251.A N LEU 248.A O no hydrogen 2.973 N/A PHE 252.A N LEU 248.A O no hydrogen 3.105 N/A THR 253.A N THR 249.A O no hydrogen 3.301 N/A THR 253.A OG1 THR 249.A O no hydrogen 2.546 N/A TRP 256.A NE1 PHE 251.A O no hydrogen 3.043 N/A GLU 258.A N ASN 255.A O no hydrogen 3.484 N/A TYR 259.A N TRP 256.A O no hydrogen 3.173 N/A TYR 259.A OH GLY 247.A O no hydrogen 2.864 N/A SER 260.A OG ASN 257.A O no hydrogen 3.142 N/A LEU 263.A N TYR 259.A O no hydrogen 2.931 N/A THR 264.A OG1 SER 279.A OG no hydrogen 3.008 N/A THR 264.A OG1 ASP 280.A OD1 no hydrogen 2.780 N/A LYS 266.A N ASP 280.A OD1 no hydrogen 3.093 N/A GLY 267.A N ASP 280.A OD2 no hydrogen 2.603 N/A ASN 270.A N GLY 275.A O no hydrogen 2.684 N/A GLY 274.A N ASN 270.A O no hydrogen 2.884 N/A GLY 275.A N THR 273.A OG1 no hydrogen 3.003 N/A LEU 276.A N PRO 362.A O no hydrogen 2.743 N/A SER 279.A OG THR 264.A OG1 no hydrogen 3.008 N/A SER 281.A N TRP 277.A O no hydrogen 3.116 N/A SER 281.A OG TRP 277.A O no hydrogen 3.105 N/A ALA 282.A N LEU 278.A O no hydrogen 2.898 N/A HIS 283.A N SER 279.A O no hydrogen 3.127 N/A HIS 283.A ND1 THR 264.A O no hydrogen 3.173 N/A HIS 284.A N ASP 280.A O no hydrogen 2.694 N/A HIS 285.A N SER 281.A O no hydrogen 3.128 N/A HIS 285.A ND1 SER 281.A O no hydrogen 2.806 N/A LEU 286.A N ALA 282.A O no hydrogen 3.408 N/A ALA 287.A N HIS 283.A O no hydrogen 3.364 N/A ILE 288.A N HIS 284.A O no hydrogen 2.897 N/A ALA 289.A N HIS 285.A O no hydrogen 2.879 N/A VAL 290.A N LEU 286.A O no hydrogen 3.153 N/A LEU 291.A N ALA 287.A O no hydrogen 3.106 N/A PHE 292.A N ILE 288.A O no hydrogen 3.013 N/A ILE 293.A N ALA 289.A O no hydrogen 2.580 N/A VAL 294.A N VAL 290.A O no hydrogen 3.323 N/A GLY 296.A N PHE 292.A O no hydrogen 3.223 N/A GLY 296.A N ILE 293.A O no hydrogen 3.186 N/A HIS 297.A N VAL 294.A O no hydrogen 3.039 N/A HIS 297.A ND1 ILE 293.A O no hydrogen 2.587 N/A TYR 299.A N ASN 186.A OD1 no hydrogen 3.075 N/A ARG 300.A N HIS 307.A O no hydrogen 2.589 N/A ARG 300.A NE GLY 306.A O no hydrogen 3.222 N/A ILE 305.A N TRP 303.A O no hydrogen 2.780 N/A HIS 307.A N MET 298.A O no hydrogen 2.843 N/A SER 308.A OG GLU 311.A OE2 no hydrogen 2.574 N/A MET 309.A N GLU 182.A OE1 no hydrogen 3.001 N/A GLU 311.A N SER 308.A O no hydrogen 3.063 N/A ASP 314.A N LYS 310.A O no hydrogen 3.264 N/A SER 315.A OG ASP 314.A O no hydrogen 2.586 N/A HIS 316.A N TYR 313.A O no hydrogen 3.375 N/A HIS 316.A ND1 MET 312.A O no hydrogen 2.605 N/A GLY 318.A N THR 321.A OG1 no hydrogen 3.401 N/A GLU 323.A N ASN 411.A O no hydrogen 3.051 N/A GLY 324.A N THR 321.A O no hydrogen 3.143 N/A HIS 325.A ND1 HIS 316.A O no hydrogen 3.140 N/A VAL 328.A N HIS 325.A O no hydrogen 3.262 N/A TYR 329.A OH GLU 182.A OE2 no hydrogen 2.648 N/A ILE 331.A N GLY 327.A O no hydrogen 3.118 N/A PHE 332.A N VAL 328.A O no hydrogen 2.875 N/A THR 333.A N TYR 329.A O no hydrogen 3.090 N/A THR 333.A OG1 TYR 329.A O no hydrogen 2.590 N/A ASN 334.A N ILE 331.A O no hydrogen 3.166 N/A ASN 334.A ND2 GLU 330.A O no hydrogen 2.425 N/A SER 335.A N ILE 331.A O no hydrogen 2.769 N/A HIS 337.A ND1 ASP 403.A OD2 no hydrogen 3.101 N/A GLN 339.A N SER 335.A O no hydrogen 3.336 N/A GLN 339.A NE2 PHE 332.A O no hydrogen 2.403 N/A LEU 340.A N TRP 336.A O no hydrogen 3.031 N/A SER 341.A N HIS 337.A O no hydrogen 2.674 N/A SER 341.A OG HIS 337.A O no hydrogen 3.308 N/A SER 341.A OG ALA 338.A O no hydrogen 2.875 N/A LEU 342.A N ALA 338.A O no hydrogen 3.415 N/A ASN 343.A N GLN 339.A O no hydrogen 2.928 N/A LEU 344.A N LEU 340.A O no hydrogen 2.880 N/A ALA 345.A N SER 341.A O no hydrogen 2.903 N/A LEU 346.A N LEU 342.A O no hydrogen 3.376 N/A PHE 347.A N ASN 343.A O no hydrogen 3.188 N/A GLY 348.A N LEU 344.A O no hydrogen 3.168 N/A SER 349.A N ALA 345.A O no hydrogen 2.935 N/A SER 349.A OG ALA 345.A O no hydrogen 2.724 N/A SER 351.A N PHE 347.A O no hydrogen 3.353 N/A SER 351.A OG HIS 381.A O no hydrogen 2.313 N/A ILE 353.A N SER 349.A O no hydrogen 3.360 N/A VAL 354.A N LEU 350.A O no hydrogen 2.783 N/A ALA 355.A N SER 351.A O no hydrogen 3.300 N/A HIS 356.A N ILE 352.A O no hydrogen 2.951 N/A HIS 357.A N ILE 353.A O no hydrogen 2.967 N/A SER 360.A OG HIS 356.A O no hydrogen 2.815 N/A TYR 366.A N THR 273.A O no hydrogen 3.176 N/A LEU 367.A N TYR 364.A O no hydrogen 3.385 N/A TYR 371.A OH VAL 508.A O no hydrogen 2.790 N/A TYR 371.A OH GLY 607.A O no hydrogen 3.098 N/A THR 373.A N ASP 370.A O no hydrogen 3.243 N/A THR 373.A OG1 ASP 370.A OD2 no hydrogen 2.305 N/A SER 374.A N ASP 370.A O no hydrogen 3.266 N/A SER 374.A OG ASP 370.A O no hydrogen 3.053 N/A CYS 376.A SG THR 128.A OG1 no hydrogen 3.718 N/A CYS 376.A SG ALA 372.A O no hydrogen 3.222 N/A LEU 377.A N THR 373.A O no hydrogen 2.895 N/A PHE 378.A N SER 374.A O no hydrogen 3.209 N/A THR 379.A N LEU 375.A O no hydrogen 2.990 N/A THR 379.A OG1 LEU 375.A O no hydrogen 3.066 N/A THR 379.A OG1 CYS 376.A O no hydrogen 3.260 N/A HIS 380.A N CYS 376.A O no hydrogen 2.900 N/A HIS 381.A ND1 LEU 377.A O no hydrogen 3.052 N/A VAL 382.A N PHE 378.A O no hydrogen 3.102 N/A TRP 383.A N THR 379.A O no hydrogen 3.361 N/A ILE 384.A N HIS 380.A O no hydrogen 2.716 N/A GLY 385.A N HIS 381.A O no hydrogen 2.913 N/A GLY 386.A N VAL 382.A O no hydrogen 2.919 N/A PHE 387.A N TRP 383.A O no hydrogen 3.258 N/A LEU 388.A N GLY 385.A O no hydrogen 3.101 N/A ILE 389.A N GLY 385.A O no hydrogen 3.214 N/A VAL 390.A N GLY 386.A O no hydrogen 3.395 N/A GLY 391.A N PHE 387.A O no hydrogen 3.180 N/A ALA 392.A N LEU 388.A O no hydrogen 2.840 N/A ALA 392.A N ILE 389.A O no hydrogen 3.153 N/A GLY 393.A N ILE 389.A O no hydrogen 3.292 N/A ALA 394.A N VAL 390.A O no hydrogen 2.878 N/A HIS 395.A N GLY 391.A O no hydrogen 3.123 N/A ALA 396.A N ALA 392.A O no hydrogen 2.966 N/A ALA 397.A N ALA 394.A O no hydrogen 3.086 N/A ILE 398.A N ALA 394.A O no hydrogen 3.289 N/A PHE 399.A N HIS 395.A O no hydrogen 3.319 N/A MET 400.A N ALA 397.A O no hydrogen 3.225 N/A VAL 401.A N ALA 397.A O no hydrogen 3.314 N/A ARG 402.A N ILE 398.A O no hydrogen 3.434 N/A ARG 402.A NH2 ASP 45.A OD1 no hydrogen 3.466 N/A ALA 407.A N ASP 405.A OD1 no hydrogen 3.484 N/A ASN 409.A N ASP 405.A O no hydrogen 3.348 N/A ASN 411.A N ASP 415.A OD2 no hydrogen 3.058 N/A ASN 412.A ND2 ASN 409.A OD1 no hydrogen 2.474 N/A LEU 413.A N GLY 324.A O no hydrogen 3.114 N/A ASP 415.A N ASN 412.A OD1 no hydrogen 3.274 N/A ARG 416.A N ASN 412.A O no hydrogen 3.106 N/A ARG 416.A NH1 ASN 411.A OD1 no hydrogen 2.545 N/A ARG 416.A NH2 PHE 320.A O no hydrogen 2.905 N/A LEU 418.A N VAL 414.A O no hydrogen 3.257 N/A ARG 419.A NE ASP 415.A OD2 no hydrogen 3.371 N/A HIS 420.A ND1 ARG 416.A O no hydrogen 2.492 N/A ARG 421.A NH1 ASN 546.A OD1 no hydrogen 2.716 N/A ARG 421.A NH2 LEU 542.A O no hydrogen 2.701 N/A ARG 421.A NH2 ASN 546.A OD1 no hydrogen 2.904 N/A ILE 424.A N HIS 420.A O no hydrogen 3.101 N/A ILE 425.A N ARG 421.A O no hydrogen 3.118 N/A SER 426.A N ASP 422.A O no hydrogen 3.186 N/A SER 426.A OG ASP 422.A O no hydrogen 2.309 N/A HIS 427.A ND1 ALA 423.A O no hydrogen 2.484 N/A LEU 428.A N ILE 424.A O no hydrogen 2.903 N/A ASN 429.A N ILE 425.A O no hydrogen 2.460 N/A TRP 430.A N SER 426.A O no hydrogen 2.978 N/A VAL 431.A N HIS 427.A O no hydrogen 3.317 N/A CYS 432.A N LEU 428.A O no hydrogen 3.248 N/A CYS 432.A SG LEU 428.A O no hydrogen 3.185 N/A ILE 433.A N ASN 429.A O no hydrogen 3.415 N/A PHE 434.A N TRP 430.A O no hydrogen 2.792 N/A LEU 435.A N VAL 431.A O no hydrogen 3.061 N/A GLY 436.A N CYS 432.A O no hydrogen 2.684 N/A PHE 437.A N ILE 433.A O no hydrogen 3.083 N/A HIS 438.A N PHE 434.A O no hydrogen 3.007 N/A HIS 438.A ND1 PHE 434.A O no hydrogen 2.750 N/A SER 439.A OG LEU 435.A O no hydrogen 2.333 N/A SER 439.A OG HIS 524.A O no hydrogen 3.316 N/A PHE 440.A N GLY 436.A O no hydrogen 3.144 N/A GLY 441.A N PHE 437.A O no hydrogen 2.949 N/A TYR 443.A N PHE 440.A O no hydrogen 2.903 N/A ILE 444.A N PHE 440.A O no hydrogen 3.223 N/A HIS 445.A N GLY 441.A O no hydrogen 2.736 N/A HIS 445.A NE2 ASP 457.A O no hydrogen 2.461 N/A ASN 446.A ND2 PHE 459.A O no hydrogen 2.778 N/A ASN 446.A ND2 ILE 628.A O no hydrogen 3.349 N/A ASP 447.A N TYR 443.A O no hydrogen 2.522 N/A THR 448.A N ILE 444.A O no hydrogen 3.092 N/A THR 448.A OG1 ILE 444.A O no hydrogen 2.586 N/A MET 449.A N HIS 445.A O no hydrogen 2.749 N/A ARG 450.A N ASN 446.A O no hydrogen 3.106 N/A ARG 450.A NH2 GLN 625.A O no hydrogen 2.633 N/A ALA 451.A N ASP 447.A O no hydrogen 2.982 N/A LEU 452.A N THR 448.A O no hydrogen 2.915 N/A ARG 454.A N MET 449.A O no hydrogen 2.800 N/A GLN 456.A NE2 ASP 457.A OD2 no hydrogen 3.560 N/A ASP 457.A N ARG 454.A O no hydrogen 3.387 N/A PHE 459.A N ASN 446.A OD1 no hydrogen 2.972 N/A ILE 464.A N MET 458.A O no hydrogen 3.158 N/A GLN 467.A NE2 GLN 465.A OE1 no hydrogen 2.710 N/A GLN 472.A N PRO 468.A O no hydrogen 2.836 N/A GLN 472.A NE2 GLN 467.A OE1 no hydrogen 3.434 N/A GLN 472.A NE2 LEU 515.A O no hydrogen 3.086 N/A TRP 473.A N VAL 469.A O no hydrogen 3.151 N/A GLN 475.A N ALA 471.A O no hydrogen 2.809 N/A GLN 475.A NE2 ILE 513.A O no hydrogen 2.988 N/A GLY 476.A N TRP 473.A O no hydrogen 2.896 N/A VAL 477.A N TRP 473.A O no hydrogen 2.865 N/A ASN 478.A N VAL 474.A O no hydrogen 3.194 N/A SER 479.A OG GLN 475.A O no hydrogen 2.315 N/A GLY 483.A N ALA 486.A O no hydrogen 3.224 N/A ALA 486.A N ALA 481.A O no hydrogen 3.032 N/A ALA 489.A N ALA 486.A O no hydrogen 3.466 N/A LEU 490.A N LYS 266.A O no hydrogen 3.222 N/A ALA 491.A N LYS 266.A O no hydrogen 3.296 N/A VAL 502.A N MET 510.A O no hydrogen 3.182 N/A VAL 504.A N LYS 507.A O no hydrogen 3.326 N/A LYS 507.A N VAL 504.A O no hydrogen 3.504 N/A LYS 507.A NZ THR 369.A O no hydrogen 3.037 N/A VAL 508.A N GLY 607.A O no hydrogen 2.925 N/A ALA 509.A N VAL 502.A O no hydrogen 2.847 N/A ILE 513.A N ALA 496.A O no hydrogen 3.070 N/A GLY 516.A N ASP 519.A OD2 no hydrogen 3.291 N/A THR 517.A OG1 SER 460.A O no hydrogen 3.502 N/A THR 517.A OG1 ASP 461.A OD2 no hydrogen 2.643 N/A PHE 520.A N GLY 516.A O no hydrogen 2.971 N/A LEU 521.A N THR 517.A O no hydrogen 3.046 N/A VAL 522.A N ALA 518.A O no hydrogen 3.435 N/A HIS 523.A N ASP 519.A O no hydrogen 3.325 N/A HIS 523.A ND1 ASP 519.A O no hydrogen 2.834 N/A ILE 525.A N LEU 521.A O no hydrogen 3.186 N/A HIS 526.A N VAL 522.A O no hydrogen 2.922 N/A HIS 526.A NE2 HIS 596.A ND1 no hydrogen 3.047 N/A ALA 527.A N HIS 523.A O no hydrogen 3.264 N/A PHE 528.A N HIS 524.A O no hydrogen 3.190 N/A THR 529.A N ILE 525.A O no hydrogen 2.844 N/A THR 529.A OG1 ILE 525.A O no hydrogen 3.035 N/A THR 529.A OG1 HIS 526.A O no hydrogen 3.194 N/A ILE 530.A N HIS 526.A O no hydrogen 2.893 N/A HIS 531.A N ALA 527.A O no hydrogen 3.310 N/A HIS 531.A ND1 ALA 527.A O no hydrogen 2.720 N/A VAL 532.A N PHE 528.A O no hydrogen 3.100 N/A THR 533.A N THR 529.A O no hydrogen 3.384 N/A THR 533.A OG1 THR 529.A O no hydrogen 2.582 N/A THR 533.A OG1 TRP 585.A O no hydrogen 3.492 N/A THR 533.A OG1 SER 589.A OG no hydrogen 2.954 N/A VAL 534.A N ILE 530.A O no hydrogen 2.935 N/A LEU 535.A N HIS 531.A O no hydrogen 3.015 N/A ILE 536.A N VAL 532.A O no hydrogen 2.947 N/A LEU 537.A N THR 533.A O no hydrogen 3.311 N/A LEU 538.A N VAL 534.A O no hydrogen 2.795 N/A LYS 539.A N LEU 535.A O no hydrogen 3.334 N/A LYS 539.A NZ HIS 578.A NE2 no hydrogen 3.040 N/A GLY 540.A N ILE 536.A O no hydrogen 3.124 N/A VAL 541.A N LEU 537.A O no hydrogen 2.988 N/A LEU 542.A N LEU 538.A O no hydrogen 2.929 N/A PHE 543.A N LYS 539.A O no hydrogen 3.149 N/A ARG 545.A NH1 MET 400.A O no hydrogen 2.400 N/A ARG 545.A NH1 VAL 401.A O no hydrogen 2.989 N/A ARG 548.A NH1 ASP 422.A OD2 no hydrogen 2.648 N/A LYS 553.A NZ PHE 543.A O no hydrogen 3.041 N/A LYS 553.A NZ VAL 573.A O no hydrogen 2.524 N/A ALA 554.A N ARG 545.A O no hydrogen 2.836 N/A ASN 555.A N ASP 552.A O no hydrogen 3.213 N/A GLY 557.A N LYS 553.A O no hydrogen 3.432 N/A ASP 563.A N THR 570.A OG1 no hydrogen 2.923 N/A GLY 569.A N GLY 566.A O no hydrogen 2.721 N/A THR 570.A N GLY 564.A O no hydrogen 3.232 N/A THR 570.A OG1 GLY 564.A O no hydrogen 3.201 N/A GLN 572.A N PRO 561.A O no hydrogen 3.212 N/A SER 574.A N ASP 577.A OD2 no hydrogen 3.239 N/A SER 574.A OG PHE 560.A O no hydrogen 2.446 N/A TRP 576.A N PHE 558.A O no hydrogen 3.034 N/A HIS 578.A ND1 SER 574.A O no hydrogen 2.473 N/A PHE 580.A N TRP 576.A O no hydrogen 3.000 N/A LEU 581.A N ASP 577.A O no hydrogen 3.039 N/A GLY 582.A N HIS 578.A O no hydrogen 2.872 N/A LEU 583.A N VAL 579.A O no hydrogen 3.072 N/A MET 586.A N GLY 582.A O no hydrogen 2.792 N/A TYR 587.A N LEU 583.A O no hydrogen 3.001 N/A ASN 588.A N PHE 584.A O no hydrogen 2.712 N/A SER 589.A N TRP 585.A O no hydrogen 2.808 N/A SER 589.A OG THR 529.A O no hydrogen 2.598 N/A SER 589.A OG THR 533.A OG1 no hydrogen 2.954 N/A SER 589.A OG TRP 585.A O no hydrogen 2.584 N/A LEU 590.A N MET 586.A O no hydrogen 2.906 N/A SER 591.A N TYR 587.A O no hydrogen 3.183 N/A SER 591.A OG TYR 587.A O no hydrogen 2.353 N/A SER 591.A OG ASN 588.A O no hydrogen 3.491 N/A LEU 594.A N LEU 590.A O no hydrogen 3.162 N/A PHE 595.A N SER 591.A O no hydrogen 3.116 N/A HIS 596.A N VAL 592.A O no hydrogen 2.924 N/A HIS 596.A ND1 HIS 526.A NE2 no hydrogen 3.047 N/A HIS 596.A NE2 ASP 519.A OD1 no hydrogen 3.336 N/A PHE 597.A N VAL 593.A O no hydrogen 2.913 N/A SER 598.A N LEU 594.A O no hydrogen 2.800 N/A TRP 599.A NE1 ASN 622.A OD1 no hydrogen 3.049 N/A LYS 600.A N HIS 596.A O no hydrogen 3.012 N/A LYS 600.A NZ SER 514.A O no hydrogen 2.850 N/A LYS 600.A NZ ASP 519.A OD2 no hydrogen 3.058 N/A MET 601.A N PHE 597.A O no hydrogen 3.086 N/A GLN 602.A NE2 SER 598.A O no hydrogen 2.511 N/A GLN 602.A NE2 GLN 641.A OE1 no hydrogen 3.364 N/A SER 603.A N TRP 599.A O no hydrogen 3.081 N/A SER 603.A OG TRP 599.A O no hydrogen 2.638 N/A SER 603.A OG ASP 604.A OD2 no hydrogen 2.360 N/A ASP 604.A N LYS 600.A O no hydrogen 3.064 N/A VAL 605.A N MET 601.A O no hydrogen 3.093 N/A TRP 606.A N MET 601.A O no hydrogen 2.419 N/A GLY 607.A N TYR 371.A OH no hydrogen 3.266 N/A ASN 608.A N SER 616.A O no hydrogen 2.846 N/A VAL 609.A N GLY 506.A O no hydrogen 2.562 N/A THR 610.A N ALA 614.A O no hydrogen 3.033 N/A GLY 613.A N THR 610.A O no hydrogen 3.345 N/A SER 616.A N ASN 608.A O no hydrogen 2.814 N/A SER 616.A OG ASN 608.A O no hydrogen 3.210 N/A ILE 618.A N GLN 602.A O no hydrogen 3.119 N/A THR 619.A N GLN 602.A O no hydrogen 3.334 N/A THR 619.A OG1 ASN 622.A OD1 no hydrogen 2.906 N/A ASN 621.A ND2 HIS 617.A ND1 no hydrogen 3.087 N/A GLN 625.A NE2 ASN 621.A O no hydrogen 3.595 N/A ALA 627.A N PHE 623.A O no hydrogen 3.310 N/A THR 629.A N GLY 626.A O no hydrogen 3.478 N/A THR 629.A OG1 GLY 626.A O no hydrogen 3.393 N/A ILE 630.A N ASP 447.A OD1 no hydrogen 2.704 N/A ASN 631.A N ASP 447.A OD1 no hydrogen 3.361 N/A GLY 632.A N THR 629.A OG1 no hydrogen 2.941 N/A TRP 633.A N THR 629.A O no hydrogen 3.164 N/A LEU 634.A N ASN 631.A O no hydrogen 2.976 N/A ARG 635.A N ASN 631.A O no hydrogen 2.537 N/A ARG 635.A NE ASP 636.A OD1 no hydrogen 3.242 N/A ASP 636.A N GLY 632.A O no hydrogen 3.149 N/A LEU 638.A N TRP 633.A O no hydrogen 3.370 N/A TRP 639.A N LEU 634.A O no hydrogen 2.838 N/A GLN 641.A N PHE 637.A O no hydrogen 3.332 N/A SER 643.A OG GLN 647.A OE1 no hydrogen 3.149 N/A SER 648.A OG VAL 645.A O no hydrogen 2.682 N/A SER 648.A OG LEU 653.A O no hydrogen 3.484 N/A SER 651.A N SER 648.A O no hydrogen 3.337 N/A SER 651.A N SER 654.A OG no hydrogen 3.060 N/A SER 651.A OG SER 648.A O no hydrogen 2.780 N/A SER 654.A OG SER 648.A O no hydrogen 2.815 N/A SER 654.A OG SER 651.A O no hydrogen 2.326 N/A TYR 656.A N LEU 653.A O no hydrogen 3.243 N/A GLY 657.A N LEU 653.A O no hydrogen 3.422 N/A LEU 658.A N SER 654.A O no hydrogen 2.863 N/A MET 659.A N ALA 655.A O no hydrogen 2.870 N/A PHE 660.A N TYR 656.A O no hydrogen 2.676 N/A LEU 661.A N GLY 657.A O no hydrogen 3.266 N/A GLY 662.A N LEU 658.A O no hydrogen 2.745 N/A ALA 663.A N MET 659.A O no hydrogen 2.945 N/A HIS 664.A N PHE 660.A O no hydrogen 3.210 N/A HIS 664.A ND1 PHE 660.A O no hydrogen 2.918 N/A PHE 665.A N LEU 661.A O no hydrogen 3.134 N/A TRP 667.A N ALA 663.A O no hydrogen 3.061 N/A ALA 668.A N HIS 664.A O no hydrogen 3.402 N/A PHE 669.A N PHE 665.A O no hydrogen 2.869 N/A SER 670.A N ILE 666.A O no hydrogen 3.070 N/A SER 670.A N TRP 667.A O no hydrogen 3.302 N/A SER 670.A OG TRP 667.A O no hydrogen 2.283 N/A LEU 671.A N ALA 668.A O no hydrogen 3.315 N/A PHE 673.A N SER 670.A O no hydrogen 3.000 N/A LEU 674.A N SER 670.A O no hydrogen 3.017 N/A PHE 675.A N LEU 671.A O no hydrogen 3.064 N/A SER 676.A OG GLY 677.A O no hydrogen 3.142 N/A TRP 681.A NE1 SER 676.A OG no hydrogen 2.685 N/A GLN 682.A N ARG 678.A O no hydrogen 3.019 N/A LEU 684.A N TYR 680.A O no hydrogen 3.079 N/A ILE 685.A N TRP 681.A O no hydrogen 2.928 N/A GLU 686.A N GLN 682.A O no hydrogen 3.147 N/A SER 687.A OG LEU 684.A O no hydrogen 2.721 N/A ILE 688.A N ILE 685.A O no hydrogen 2.801 N/A VAL 689.A N ILE 685.A O no hydrogen 2.645 N/A ALA 691.A N SER 687.A O no hydrogen 3.427 N/A HIS 692.A N ILE 688.A O no hydrogen 3.257 N/A ASN 693.A N VAL 689.A O no hydrogen 3.003 N/A LYS 694.A N TRP 690.A O no hydrogen 2.658 N/A LYS 696.A N ASN 693.A O no hydrogen 3.320 N/A PHE 697.A N HIS 692.A O no hydrogen 2.926 N/A GLN 702.A N LYS 31.A O no hydrogen 3.461 N/A ALA 705.A N GLN 682.A OE1 no hydrogen 2.705 N/A GLY 711.A N SER 707.A O no hydrogen 2.737 N/A ARG 712.A N ILE 708.A O no hydrogen 3.127 N/A ARG 712.A NH1 PRO 561.A O no hydrogen 3.119 N/A ARG 712.A NH1 ASP 577.A OD1 no hydrogen 3.251 N/A ALA 713.A N THR 709.A O no hydrogen 3.237 N/A VAL 714.A N GLN 710.A O no hydrogen 2.671 N/A GLY 715.A N GLY 711.A O no hydrogen 3.197 N/A VAL 716.A N ARG 712.A O no hydrogen 2.951 N/A ALA 717.A N ALA 713.A O no hydrogen 2.933 N/A HIS 718.A N VAL 714.A O no hydrogen 3.335 N/A HIS 718.A ND1 VAL 714.A O no hydrogen 2.443 N/A TYR 719.A N GLY 715.A O no hydrogen 2.981 N/A LEU 720.A N VAL 716.A O no hydrogen 3.279 N/A LEU 721.A N ALA 717.A O no hydrogen 2.773 N/A GLY 722.A N HIS 718.A O no hydrogen 2.812 N/A GLY 723.A N TYR 719.A O no hydrogen 2.762 N/A ILE 724.A N LEU 720.A O no hydrogen 2.894 N/A THR 726.A OG1 GLY 722.A O no hydrogen 2.278 N/A THR 727.A N GLY 723.A O no hydrogen 3.350 N/A THR 727.A OG1 GLY 723.A O no hydrogen 2.870 N/A TRP 728.A N ILE 724.A O no hydrogen 2.530 N/A SER 729.A N ALA 725.A O no hydrogen 3.135 N/A SER 729.A OG ALA 725.A O no hydrogen 2.371 N/A PHE 730.A N THR 726.A O no hydrogen 2.997 N/A PHE 731.A N THR 727.A O no hydrogen 3.065 N/A HIS 732.A N TRP 728.A O no hydrogen 3.169 N/A HIS 732.A ND1 TRP 728.A O no hydrogen 2.892 N/A HIS 732.A NE2 THR 128.A OG1 no hydrogen 2.653 N/A ALA 733.A N SER 729.A O no hydrogen 3.245 N/A ARG 734.A NE GLN 602.A OE1 no hydrogen 2.970 N/A ARG 734.A NH1 GLN 644.A OE1 no hydrogen 2.779 N/A ARG 734.A NH2 GLN 602.A OE1 no hydrogen 3.192 N/A ILE 735.A N PHE 731.A O no hydrogen 3.284 N/A ILE 736.A N HIS 732.A O no hydrogen 3.161 N/A SER 737.A N ARG 734.A O no hydrogen 3.078 N/A SER 737.A OG ALA 733.A O no hydrogen 3.020 N/A SER 737.A OG ARG 734.A O no hydrogen 2.427 N/A VAL 738.A N ARG 734.A O no hydrogen 2.981 N/A GLY 739.A N ILE 735.A O no hydrogen 2.884 N/A