Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N PRO 2.A O no hydrogen 3.397 N/A GLN 6.A N TRP 3.A O no hydrogen 3.136 N/A GLU 7.A N GLU 7.A OE2 no hydrogen 2.974 N/A LYS 9.A N ALA 28.A O no hydrogen 2.751 N/A SER 10.A OG HIS 27.A ND1 no hydrogen 2.958 N/A VAL 11.A N ALA 26.A O no hydrogen 3.271 N/A GLN 13.A N ILE 24.A O no hydrogen 2.586 N/A GLN 13.A NE2 TYR 456.A O no hydrogen 2.114 N/A GLN 13.A NE2 ARG 459.A O no hydrogen 3.630 N/A CYS 15.A N CYS 22.A O no hydrogen 2.791 N/A TRP 20.A NE1 THR 188.A OG1 no hydrogen 2.915 N/A ILE 24.A N GLN 13.A O no hydrogen 2.662 N/A VAL 25.A N GLU 37.A O no hydrogen 2.779 N/A ALA 26.A N VAL 11.A O no hydrogen 2.949 N/A HIS 27.A N LYS 35.A O no hydrogen 2.781 N/A HIS 27.A ND1 SER 10.A OG no hydrogen 2.958 N/A ALA 28.A N LYS 9.A O no hydrogen 2.937 N/A VAL 29.A N ARG 32.A O no hydrogen 3.127 N/A VAL 33.A N TYR 61.A OH no hydrogen 2.786 N/A TYR 34.A N HIS 27.A O no hydrogen 3.004 N/A LYS 35.A NZ GLU 37.A OE1 no hydrogen 2.710 N/A LYS 35.A NZ GLU 37.A OE2 no hydrogen 2.965 N/A GLU 37.A N VAL 25.A O no hydrogen 2.825 N/A TYR 39.A N SER 45.A OG no hydrogen 3.409 N/A TYR 39.A OH THR 534.A OG1 no hydrogen 2.737 N/A ASN 42.A ND2 SER 45.A OG no hydrogen 3.170 N/A LYS 44.A NZ TRP 20.A O no hydrogen 2.829 N/A SER 45.A OG GLY 23.A O no hydrogen 2.474 N/A ARG 46.A N ASN 42.A O no hydrogen 3.027 N/A ARG 46.A NH1 ASP 192.A OD1 no hydrogen 3.313 N/A ARG 46.A NH2 ASP 192.A OD1 no hydrogen 2.811 N/A ARG 48.A N SER 45.A O no hydrogen 3.016 N/A ARG 52.A NH1 THR 601.A OG1 no hydrogen 3.106 N/A GLY 53.A N CYS 50.A O no hydrogen 3.095 N/A GLN 54.A N CYS 50.A O no hydrogen 3.158 N/A GLN 54.A NE2 VAL 36.A O no hydrogen 3.461 N/A GLY 55.A N PRO 51.A O no hydrogen 2.969 N/A ALA 56.A N ARG 52.A O no hydrogen 2.916 N/A GLN 58.A N GLY 55.A O no hydrogen 3.106 N/A THR 60.A N PRO 57.A O no hydrogen 3.167 N/A THR 60.A OG1 PRO 57.A O no hydrogen 3.474 N/A TYR 61.A N GLN 58.A O no hydrogen 2.746 N/A ASP 62.A N THR 59.A O no hydrogen 3.396 N/A ASP 64.A N ASP 62.A OD1 no hydrogen 3.285 N/A ARG 65.A N ASP 62.A O no hydrogen 2.846 N/A ARG 65.A NH1 THR 60.A O no hydrogen 3.169 N/A ARG 65.A NH1 GLU 458.A OE1 no hydrogen 3.143 N/A ARG 65.A NH1 GLU 458.A OE2 no hydrogen 3.144 N/A ARG 65.A NH2 GLU 458.A OE1 no hydrogen 2.928 N/A LEU 66.A N VAL 438.A O no hydrogen 2.463 N/A LYS 67.A NZ PRO 63.A O no hydrogen 2.721 N/A LYS 67.A NZ ARG 65.A O no hydrogen 2.774 N/A LEU 70.A N ILE 450.A O no hydrogen 2.984 N/A ILE 71.A N ARG 84.A O no hydrogen 2.863 N/A ARG 72.A NE SER 76.A O no hydrogen 2.820 N/A ARG 72.A NH1 ASP 448.A OD1 no hydrogen 2.635 N/A ARG 72.A NH2 SER 76.A O no hydrogen 3.263 N/A VAL 73.A N LYS 82.A O no hydrogen 3.081 N/A GLY 75.A N GLU 74.A OE1 no hydrogen 2.652 N/A SER 76.A N VAL 73.A O no hydrogen 3.149 N/A SER 76.A OG VAL 73.A O no hydrogen 2.733 N/A GLN 77.A N GLU 80.A OE1 no hydrogen 3.315 N/A ARG 78.A NE ASP 448.A OD1 no hydrogen 2.643 N/A ARG 78.A NH1 LEU 427.A O no hydrogen 2.632 N/A ARG 78.A NH1 LEU 430.A O no hydrogen 2.531 N/A ARG 78.A NH2 LEU 430.A O no hydrogen 2.950 N/A ARG 78.A NH2 ASP 448.A OD1 no hydrogen 3.149 N/A ARG 78.A NH2 ASP 448.A OD2 no hydrogen 2.826 N/A TYR 83.A OH ALA 447.A O no hydrogen 2.668 N/A ARG 84.A N ILE 71.A O no hydrogen 2.828 N/A ALA 86.A N PRO 69.A O no hydrogen 3.168 N/A THR 87.A OG1 GLU 89.A OE1 no hydrogen 2.774 N/A TRP 88.A NE1 ASP 485.A O no hydrogen 2.944 N/A ALA 91.A N THR 87.A O no hydrogen 2.836 N/A LEU 92.A N TRP 88.A O no hydrogen 2.952 N/A ASP 93.A N GLU 89.A O no hydrogen 3.048 N/A HIS 94.A N GLU 90.A O no hydrogen 3.074 N/A ILE 95.A N ALA 91.A O no hydrogen 3.131 N/A ALA 96.A N LEU 92.A O no hydrogen 3.241 N/A LYS 97.A N ASP 93.A O no hydrogen 2.851 N/A LYS 98.A N HIS 94.A O no hydrogen 3.282 N/A MET 99.A N ILE 95.A O no hydrogen 2.839 N/A LEU 100.A N ALA 96.A O no hydrogen 2.885 N/A GLU 101.A N LYS 97.A O no hydrogen 3.270 N/A ILE 102.A N LYS 98.A O no hydrogen 3.249 N/A ARG 103.A N MET 99.A O no hydrogen 3.175 N/A ARG 103.A NH1 TRP 131.A O no hydrogen 3.438 N/A ARG 103.A NH2 TRP 131.A O no hydrogen 3.370 N/A GLU 104.A N GLU 101.A O no hydrogen 3.279 N/A LYS 105.A N GLU 101.A O no hydrogen 3.500 N/A LYS 105.A NZ TYR 106.A OH no hydrogen 3.556 N/A TYR 106.A N ILE 102.A O no hydrogen 2.918 N/A GLU 109.A N GLU 109.A OE1 no hydrogen 2.945 N/A ILE 111.A N PRO 108.A O no hydrogen 3.229 N/A ALA 112.A N GLY 405.A O no hydrogen 3.338 N/A PHE 113.A N ASN 135.A O no hydrogen 2.871 N/A PHE 114.A N PHE 407.A O no hydrogen 2.915 N/A GLY 115.A N ALA 137.A O no hydrogen 3.095 N/A HIS 116.A N TYR 409.A O no hydrogen 2.885 N/A HIS 116.A NE2 SER 140.A OG no hydrogen 2.914 N/A THR 118.A N GLU 16.A OE2 no hydrogen 2.837 N/A THR 118.A OG1 GLU 16.A OE1 no hydrogen 2.536 N/A THR 118.A OG1 GLU 16.A OE2 no hydrogen 3.344 N/A ASP 120.A N GLY 117.A O no hydrogen 2.888 N/A TYR 121.A N THR 118.A O no hydrogen 3.377 N/A TRP 122.A N GLY 119.A O no hydrogen 3.230 N/A PHE 123.A N GLY 119.A O no hydrogen 3.344 N/A VAL 124.A N ASP 120.A O no hydrogen 2.648 N/A ASP 125.A N ASP 120.A O no hydrogen 3.074 N/A ASP 125.A N TYR 121.A O no hydrogen 3.276 N/A PHE 126.A N TYR 121.A O no hydrogen 2.705 N/A LEU 127.A N TRP 122.A O no hydrogen 2.721 N/A ALA 130.A N PHE 126.A O no hydrogen 2.909 N/A TRP 131.A N LEU 127.A O no hydrogen 2.835 N/A TRP 131.A NE1 PRO 108.A O no hydrogen 2.832 N/A GLY 132.A N PRO 128.A O no hydrogen 2.840 N/A GLY 132.A N ALA 129.A O no hydrogen 3.153 N/A SER 133.A N PRO 128.A O no hydrogen 2.895 N/A SER 133.A OG ILE 111.A O no hydrogen 2.476 N/A ASN 135.A ND2 GLU 109.A O no hydrogen 2.721 N/A ASN 135.A ND2 TYR 401.A OH no hydrogen 2.760 N/A ALA 137.A N PHE 113.A O no hydrogen 3.010 N/A LYS 138.A NZ ASP 120.A OD2 no hydrogen 2.871 N/A LYS 138.A NZ ASP 125.A OD1 no hydrogen 3.331 N/A LYS 138.A NZ ASP 125.A OD2 no hydrogen 3.070 N/A SER 140.A OG HIS 116.A NE2 no hydrogen 2.914 N/A VAL 141.A N LYS 138.A O no hydrogen 3.289 N/A LEU 143.A N PRO 139.A O no hydrogen 2.999 N/A CYS 144.A SG ARG 303.A O no hydrogen 3.770 N/A THR 145.A N SER 140.A O no hydrogen 3.301 N/A ALA 146.A N VAL 141.A O no hydrogen 2.782 N/A ARG 148.A N THR 145.A O no hydrogen 3.131 N/A ARG 148.A NE GLU 149.A OE1 no hydrogen 2.922 N/A ARG 148.A NH1 GLU 164.A OE1 no hydrogen 2.731 N/A ARG 148.A NH1 THR 302.A O no hydrogen 2.865 N/A ARG 148.A NH2 GLU 164.A OE1 no hydrogen 2.606 N/A GLU 149.A N THR 145.A O no hydrogen 3.089 N/A VAL 150.A N ALA 146.A O no hydrogen 3.090 N/A ALA 151.A N PRO 147.A O no hydrogen 3.237 N/A SER 152.A N ARG 148.A O no hydrogen 2.944 N/A SER 152.A OG ARG 158.A O no hydrogen 2.656 N/A GLN 153.A N GLU 149.A O no hydrogen 2.885 N/A TRP 154.A N VAL 150.A O no hydrogen 3.063 N/A VAL 155.A N ALA 151.A O no hydrogen 2.966 N/A PHE 156.A N SER 152.A O no hydrogen 2.889 N/A ARG 158.A NH1 ALA 337.A O no hydrogen 2.884 N/A ILE 160.A N GLU 149.A OE2 no hydrogen 3.100 N/A ILE 166.A N GLU 164.A O no hydrogen 2.986 N/A ASP 167.A N GLY 333.A O no hydrogen 3.116 N/A ASN 170.A N ASP 167.A O no hydrogen 3.391 N/A ASN 170.A ND2 ASP 167.A OD1 no hydrogen 2.814 N/A ALA 171.A N TRP 168.A O no hydrogen 3.178 N/A ARG 172.A N ARG 296.A O no hydrogen 2.669 N/A ARG 172.A NH2 ASN 199.A O no hydrogen 2.489 N/A TYR 173.A OH GLU 289.A OE1 no hydrogen 2.716 N/A ILE 174.A N LYS 202.A O no hydrogen 3.043 N/A VAL 175.A N VAL 298.A O no hydrogen 2.802 N/A LEU 176.A N VAL 204.A O no hydrogen 2.832 N/A GLY 178.A N VAL 206.A O no hydrogen 2.940 N/A GLY 182.A N ASP 184.A O no hydrogen 3.006 N/A ASP 184.A N HIS 180.A O no hydrogen 3.073 N/A HIS 186.A N ASP 184.A OD1 no hydrogen 3.169 N/A ASN 187.A ND2 ARG 48.A O no hydrogen 3.169 N/A THR 188.A OG1 LYS 44.A O no hydrogen 2.677 N/A LEU 190.A N HIS 186.A O no hydrogen 3.129 N/A LEU 190.A N ASN 187.A O no hydrogen 2.848 N/A GLN 191.A N ASN 187.A O no hydrogen 3.089 N/A ASP 192.A N THR 188.A O no hydrogen 2.787 N/A PHE 193.A N GLN 189.A O no hydrogen 3.016 N/A ALA 194.A N LEU 190.A O no hydrogen 2.878 N/A LEU 195.A N GLN 191.A O no hydrogen 2.930 N/A ALA 196.A N ASP 192.A O no hydrogen 2.837 N/A LEU 197.A N PHE 193.A O no hydrogen 2.990 N/A LYS 198.A N ALA 194.A O no hydrogen 3.098 N/A ASN 199.A N LEU 195.A O no hydrogen 3.039 N/A GLY 200.A N LEU 197.A O no hydrogen 3.058 N/A ALA 201.A N ALA 196.A O no hydrogen 2.954 N/A VAL 204.A N ILE 174.A O no hydrogen 2.748 N/A VAL 205.A N ARG 219.A O no hydrogen 2.950 N/A VAL 206.A N LEU 176.A O no hydrogen 2.814 N/A ASP 207.A N LEU 221.A O no hydrogen 3.259 N/A ARG 209.A N ASP 207.A OD1 no hydrogen 3.001 N/A ARG 209.A NH1 GLU 183.A OE2 no hydrogen 2.870 N/A ARG 209.A NH2 GLU 183.A OE1 no hydrogen 3.118 N/A ARG 209.A NH2 GLU 183.A OE2 no hydrogen 3.527 N/A PHE 210.A N ARG 658.A O no hydrogen 2.535 N/A SER 211.A N ARG 209.A O no hydrogen 2.931 N/A THR 212.A N GLU 183.A OE1 no hydrogen 3.153 N/A ALA 214.A N SER 211.A OG no hydrogen 3.307 N/A ALA 215.A N SER 211.A O no hydrogen 3.024 N/A LYS 216.A N ALA 213.A O no hydrogen 3.163 N/A ALA 217.A N ALA 214.A O no hydrogen 3.081 N/A HIS 218.A N VAL 203.A O no hydrogen 2.953 N/A ARG 219.A NH1 GLU 289.A OE1 no hydrogen 3.169 N/A ARG 219.A NH2 GLU 285.A OE1 no hydrogen 2.787 N/A TRP 220.A NE1 ASP 207.A O no hydrogen 2.903 N/A LEU 221.A N VAL 205.A O no hydrogen 2.764 N/A ILE 223.A N LEU 221.A O no hydrogen 2.749 N/A LYS 224.A N THR 276.A O no hydrogen 3.037 N/A LYS 224.A NZ GLU 584.A OE2 no hydrogen 2.416 N/A THR 227.A OG1 HIS 275.A O no hydrogen 3.251 N/A ALA 230.A N THR 227.A O no hydrogen 3.201 N/A LEU 232.A N ASP 228.A O no hydrogen 2.894 N/A LEU 233.A N THR 229.A O no hydrogen 2.835 N/A ALA 234.A N ALA 230.A O no hydrogen 3.164 N/A TRP 235.A N LEU 231.A O no hydrogen 3.127 N/A TRP 235.A N LEU 232.A O no hydrogen 3.123 N/A ILE 236.A N LEU 232.A O no hydrogen 2.937 N/A HIS 237.A N LEU 233.A O no hydrogen 2.858 N/A HIS 237.A ND1 VAL 264.A O no hydrogen 2.894 N/A VAL 238.A N ALA 234.A O no hydrogen 3.107 N/A LEU 239.A N TRP 235.A O no hydrogen 3.029 N/A ILE 240.A N ILE 236.A O no hydrogen 3.035 N/A TYR 241.A N HIS 237.A O no hydrogen 2.793 N/A TYR 241.A OH LYS 261.A O no hydrogen 3.058 N/A GLU 242.A N VAL 238.A O no hydrogen 2.978 N/A ASP 243.A N ILE 240.A O no hydrogen 3.229 N/A LEU 244.A N LEU 239.A O no hydrogen 2.978 N/A TYR 245.A N LEU 239.A O no hydrogen 3.141 N/A ASP 246.A N LEU 324.A O no hydrogen 2.895 N/A LYS 247.A NZ ASP 243.A OD1 no hydrogen 3.002 N/A TYR 249.A N ASP 246.A OD1 no hydrogen 2.699 N/A TYR 249.A OH TYR 328.A O no hydrogen 2.784 N/A VAL 250.A N ASP 246.A O no hydrogen 3.229 N/A ALA 251.A N LYS 247.A O no hydrogen 2.983 N/A LYS 252.A N GLU 248.A O no hydrogen 2.714 N/A LYS 252.A NZ GLU 248.A O no hydrogen 3.568 N/A LYS 252.A NZ GLU 248.A OE1 no hydrogen 2.941 N/A TYR 253.A N TYR 249.A O no hydrogen 3.034 N/A TYR 253.A OH GLU 547.A OE1 no hydrogen 3.429 N/A TYR 253.A OH GLU 547.A OE2 no hydrogen 2.720 N/A VAL 255.A N GLY 559.A O no hydrogen 2.393 N/A LYS 261.A N PHE 257.A O no hydrogen 3.436 N/A ALA 262.A N GLU 258.A O no hydrogen 3.402 N/A HIS 263.A N GLU 259.A O no hydrogen 3.099 N/A VAL 264.A N LEU 260.A O no hydrogen 3.163 N/A LYS 265.A N ALA 262.A O no hydrogen 3.404 N/A THR 268.A N ASP 266.A O no hydrogen 2.851 N/A GLU 270.A N THR 268.A OG1 no hydrogen 3.043 N/A ALA 272.A N THR 268.A O no hydrogen 2.841 N/A GLU 273.A N PRO 269.A O no hydrogen 3.074 N/A HIS 275.A N ALA 272.A O no hydrogen 3.060 N/A THR 276.A N ALA 272.A O no hydrogen 2.740 N/A THR 276.A OG1 THR 227.A O no hydrogen 3.404 N/A GLU 277.A N GLU 273.A O no hydrogen 3.098 N/A ALA 280.A N GLU 273.A OE2 no hydrogen 3.249 N/A ILE 283.A N PRO 279.A O no hydrogen 3.128 N/A ARG 284.A N ALA 280.A O no hydrogen 3.118 N/A ARG 284.A NH2 GLU 270.A OE2 no hydrogen 2.273 N/A GLU 285.A N GLN 281.A O no hydrogen 2.785 N/A VAL 286.A N VAL 282.A O no hydrogen 2.964 N/A ALA 287.A N ILE 283.A O no hydrogen 3.394 N/A ARG 288.A N ARG 284.A O no hydrogen 3.013 N/A ARG 288.A NE GLU 242.A OE1 no hydrogen 3.349 N/A ARG 288.A NH2 GLU 242.A OE2 no hydrogen 3.145 N/A GLU 289.A N GLU 285.A O no hydrogen 2.968 N/A MET 290.A N VAL 286.A O no hydrogen 3.144 N/A ALA 291.A N ALA 287.A O no hydrogen 2.996 N/A ALA 292.A N ARG 288.A O no hydrogen 2.769 N/A HIS 293.A N MET 290.A O no hydrogen 3.002 N/A LYS 294.A N ALA 291.A O no hydrogen 3.291 N/A ARG 296.A N HIS 293.A O no hydrogen 3.066 N/A VAL 298.A N TYR 173.A O no hydrogen 3.008 N/A LEU 299.A N ASN 322.A OD1 no hydrogen 2.995 N/A ARG 303.A NH1 GLY 162.A O no hydrogen 2.895 N/A HIS 304.A NE2 TYR 594.A OH no hydrogen 2.587 N/A ASN 305.A N CYS 144.A O no hydrogen 3.091 N/A ASN 305.A ND2 THR 302.A O no hydrogen 2.915 N/A ASN 305.A ND2 ARG 303.A O no hydrogen 3.072 N/A TRP 307.A NE1 HIS 304.A O no hydrogen 2.593 N/A TYR 308.A N ASP 311.A OD1 no hydrogen 2.951 N/A TYR 308.A N ASP 311.A OD2 no hydrogen 3.264 N/A THR 312.A N ASP 697.A OD2 no hydrogen 3.327 N/A THR 312.A OG1 ASP 697.A OD2 no hydrogen 2.792 N/A TYR 313.A N ASP 310.A O no hydrogen 3.030 N/A ARG 314.A NH1 ASP 311.A OD1 no hydrogen 3.040 N/A ARG 314.A NH2 ASN 305.A O no hydrogen 3.240 N/A ARG 314.A NH2 ASN 305.A OD1 no hydrogen 3.392 N/A ARG 314.A NH2 ASP 311.A OD1 no hydrogen 3.420 N/A VAL 315.A N ASP 311.A O no hydrogen 3.195 N/A MET 316.A N THR 312.A O no hydrogen 2.962 N/A ALA 317.A N TYR 313.A O no hydrogen 3.085 N/A LEU 318.A N ARG 314.A O no hydrogen 3.132 N/A LEU 319.A N VAL 315.A O no hydrogen 2.928 N/A TYR 320.A N MET 316.A O no hydrogen 2.927 N/A VAL 321.A N ALA 317.A O no hydrogen 3.235 N/A ASN 322.A N LEU 318.A O no hydrogen 3.272 N/A ASN 322.A ND2 LEU 299.A O no hydrogen 3.223 N/A VAL 323.A N LEU 319.A O no hydrogen 2.946 N/A LEU 324.A N TYR 320.A O no hydrogen 2.764 N/A LEU 325.A N ASN 322.A O no hydrogen 3.239 N/A GLY 326.A N VAL 323.A O no hydrogen 2.797 N/A ASN 327.A N ASN 322.A O no hydrogen 3.312 N/A ASN 327.A ND2 ALA 297.A O no hydrogen 2.746 N/A ASN 327.A ND2 ASN 322.A OD1 no hydrogen 2.923 N/A GLY 329.A N PHE 334.A O no hydrogen 2.549 N/A ARG 330.A N ASN 327.A O no hydrogen 3.242 N/A GLY 332.A N ASP 167.A OD1 no hydrogen 3.055 N/A TYR 335.A N PRO 165.A O no hydrogen 3.232 N/A TYR 341.A N GLN 537.A OE1 no hydrogen 2.790 N/A LEU 350.A N GLU 353.A OE2 no hydrogen 3.492 N/A GLY 357.A N ALA 355.A O no hydrogen 2.637 N/A HIS 367.A N GLY 364.A O no hydrogen 3.031 N/A GLU 368.A N GLY 364.A O no hydrogen 3.090 N/A ALA 376.A N ASN 135.A OD1 no hydrogen 2.823 N/A LYS 378.A N ARG 375.A O no hydrogen 3.145 N/A LYS 378.A NZ GLY 364.A O no hydrogen 3.143 N/A LYS 380.A N ASP 377.A O no hydrogen 3.155 N/A LYS 380.A NZ ALA 376.A O no hydrogen 3.211 N/A LYS 380.A NZ GLU 390.A O no hydrogen 3.032 N/A PHE 382.A N PRO 698.A O no hydrogen 2.764 N/A ALA 383.A N ILE 699.A O no hydrogen 2.776 N/A THR 386.A OG1 ALA 136.A O no hydrogen 3.457 N/A ALA 387.A N ASP 377.A OD1 no hydrogen 2.844 N/A GLU 390.A N ALA 387.A O no hydrogen 2.892 N/A ILE 396.A N GLU 393.A O no hydrogen 2.849 N/A THR 397.A N GLU 393.A O no hydrogen 3.194 N/A THR 397.A OG1 GLU 393.A O no hydrogen 3.455 N/A GLY 398.A N PRO 394.A O no hydrogen 3.114 N/A GLU 399.A N THR 397.A OG1 no hydrogen 2.828 N/A TYR 401.A OH PRO 374.A O no hydrogen 2.967 N/A LYS 404.A NZ ASN 429.A O no hydrogen 2.589 N/A LEU 406.A N LEU 432.A O no hydrogen 2.602 N/A PHE 407.A N ALA 112.A O no hydrogen 2.968 N/A ALA 408.A N VAL 434.A O no hydrogen 2.838 N/A TYR 409.A N PHE 114.A O no hydrogen 2.868 N/A TYR 409.A OH GLU 453.A OE1 no hydrogen 2.505 N/A TYR 409.A OH GLU 453.A OE2 no hydrogen 3.178 N/A GLY 410.A N ILE 436.A O no hydrogen 2.942 N/A HIS 415.A N ASN 412.A O no hydrogen 3.160 N/A SER 416.A N ASN 412.A O no hydrogen 2.852 N/A SER 416.A OG ASN 412.A O no hydrogen 3.486 N/A ASN 419.A N GLN 691.A O no hydrogen 3.073 N/A ARG 422.A NH1 TYR 694.A OH no hydrogen 3.341 N/A THR 423.A N ASN 419.A O no hydrogen 3.237 N/A LYS 424.A N VAL 420.A O no hydrogen 3.074 N/A LYS 424.A NZ GLU 442.A OE1 no hydrogen 3.148 N/A LYS 424.A NZ TYR 689.A OH no hydrogen 3.265 N/A GLU 425.A N PRO 421.A O no hydrogen 3.109 N/A ALA 426.A N ARG 422.A O no hydrogen 3.101 N/A LEU 427.A N THR 423.A O no hydrogen 2.999 N/A LYS 428.A N LYS 424.A O no hydrogen 3.111 N/A ASN 429.A N GLU 425.A O no hydrogen 3.163 N/A ASN 429.A ND2 MET 395.A O no hydrogen 3.611 N/A ASN 429.A ND2 ILE 396.A O no hydrogen 3.198 N/A LEU 430.A N LEU 427.A O no hydrogen 3.282 N/A TYR 433.A N ASP 448.A OD2 no hydrogen 2.834 N/A TYR 433.A OH HIS 443.A O no hydrogen 2.312 N/A VAL 434.A N LEU 406.A O no hydrogen 2.718 N/A ALA 435.A N VAL 449.A O no hydrogen 3.473 N/A ILE 436.A N ALA 408.A O no hydrogen 2.914 N/A ASP 437.A N LEU 451.A O no hydrogen 3.267 N/A VAL 438.A N ASP 437.A OD2 no hydrogen 2.727 N/A LEU 439.A N ASP 437.A OD2 no hydrogen 3.464 N/A GLN 441.A NE2 ASN 412.A OD1 no hydrogen 3.100 N/A ALA 447.A N VAL 444.A O no hydrogen 3.251 N/A ASP 448.A N TYR 433.A O no hydrogen 3.024 N/A ILE 450.A N LEU 70.A O no hydrogen 2.918 N/A LEU 451.A N ALA 435.A O no hydrogen 3.142 N/A GLU 453.A N ASP 437.A O no hydrogen 2.974 N/A ALA 454.A N LYS 487.A O no hydrogen 2.880 N/A THR 455.A N GLU 458.A OE1 no hydrogen 3.116 N/A GLU 458.A N THR 455.A O no hydrogen 2.798 N/A ARG 459.A NE ALA 454.A O no hydrogen 3.214 N/A ARG 459.A NH1 ASP 461.A OD2 no hydrogen 2.776 N/A ARG 459.A NH2 ALA 454.A O no hydrogen 3.163 N/A VAL 464.A N GLN 474.A O no hydrogen 3.141 N/A VAL 466.A N PHE 472.A O no hydrogen 2.955 N/A HIS 468.A N GLN 338.A O no hydrogen 3.259 N/A THR 470.A N HIS 468.A ND1 no hydrogen 3.115 N/A THR 470.A OG1 THR 470.A O no hydrogen 2.409 N/A PHE 472.A N VAL 466.A O no hydrogen 3.223 N/A ILE 473.A N LEU 535.A O no hydrogen 2.559 N/A GLN 474.A N VAL 464.A O no hydrogen 2.866 N/A GLN 474.A NE2 ARG 21.A O no hydrogen 2.684 N/A LEU 475.A N GLY 533.A O no hydrogen 2.936 N/A ARG 476.A NH1 GLU 16.A OE1 no hydrogen 3.308 N/A ARG 476.A NH1 ASP 461.A OD2 no hydrogen 2.479 N/A ARG 476.A NH2 ILE 14.A O no hydrogen 3.317 N/A ARG 476.A NH2 GLU 16.A OE1 no hydrogen 2.901 N/A THR 477.A N TYR 12.A O no hydrogen 3.430 N/A ALA 479.A N LEU 457.A O no hydrogen 2.672 N/A THR 486.A N LEU 483.A O no hydrogen 3.125 N/A LYS 487.A N PRO 452.A O no hydrogen 3.409 N/A GLY 489.A N GLU 453.A OE2 no hydrogen 3.029 N/A ILE 492.A N PRO 488.A O no hydrogen 3.092 N/A ALA 493.A N GLY 489.A O no hydrogen 2.964 N/A ARG 494.A N TRP 490.A O no hydrogen 3.043 N/A ARG 494.A NE TRP 508.A O no hydrogen 2.961 N/A GLU 495.A N TRP 491.A O no hydrogen 2.930 N/A LEU 496.A N ILE 492.A O no hydrogen 3.071 N/A LEU 496.A N ALA 493.A O no hydrogen 3.053 N/A GLY 497.A N ALA 493.A O no hydrogen 2.697 N/A LEU 498.A N ARG 494.A O no hydrogen 2.899 N/A ARG 499.A NE GLU 495.A O no hydrogen 2.821 N/A ARG 499.A NH2 GLU 495.A OE1 no hydrogen 3.120 N/A LEU 502.A N GLY 497.A O no hydrogen 2.862 N/A GLN 504.A NE2 GLY 501.A O no hydrogen 3.597 N/A TYR 505.A OH PRO 349.A O no hydrogen 2.652 N/A LYS 509.A N GLU 513.A OE2 no hydrogen 2.708 N/A LYS 509.A NZ PRO 507.A O no hydrogen 2.808 N/A THR 510.A OG1 LYS 509.A O no hydrogen 3.005 N/A GLU 513.A N THR 510.A O no hydrogen 3.146 N/A TYR 514.A N THR 510.A O no hydrogen 3.196 N/A TYR 514.A OH ASP 462.A OD2 no hydrogen 3.009 N/A LEU 515.A N ILE 511.A O no hydrogen 2.813 N/A GLU 516.A N GLU 512.A O no hydrogen 2.942 N/A ARG 518.A NE GLU 343.A O no hydrogen 2.958 N/A ARG 518.A NH1 ASP 462.A OD1 no hydrogen 2.797 N/A ARG 518.A NH2 LEU 342.A O no hydrogen 3.322 N/A LEU 519.A N LEU 515.A O no hydrogen 3.278 N/A GLN 520.A N GLU 516.A O no hydrogen 2.935 N/A SER 521.A N THR 517.A O no hydrogen 3.362 N/A LEU 522.A N ARG 518.A O no hydrogen 3.380 N/A GLY 523.A N LEU 519.A O no hydrogen 3.069 N/A GLY 523.A N GLN 520.A O no hydrogen 3.000 N/A LEU 524.A N LEU 519.A O no hydrogen 2.713 N/A LEU 526.A N GLU 516.A OE1 no hydrogen 2.809 N/A THR 528.A OG1 ASP 525.A OD2 no hydrogen 2.951 N/A MET 529.A N ASP 525.A O no hydrogen 3.073 N/A LYS 530.A N LEU 526.A O no hydrogen 3.059 N/A LYS 530.A NZ TYR 460.A OH no hydrogen 2.815 N/A GLY 531.A N GLU 527.A O no hydrogen 3.237 N/A MET 532.A N THR 528.A O no hydrogen 3.326 N/A THR 534.A OG1 TYR 39.A OH no hydrogen 2.737 N/A THR 534.A OG1 ASN 42.A OD1 no hydrogen 2.883 N/A LEU 535.A N ILE 473.A O no hydrogen 2.596 N/A GLN 537.A N PRO 471.A O no hydrogen 2.885 N/A GLN 537.A NE2 TYR 341.A O no hydrogen 2.648 N/A LYS 540.A NZ GLU 549.A OE2 no hydrogen 3.363 N/A TRP 546.A N LEU 543.A O no hydrogen 2.992 N/A GLU 547.A N LEU 543.A O no hydrogen 2.755 N/A LYS 548.A N GLU 544.A O no hydrogen 2.775 N/A LYS 548.A NZ GLU 544.A OE2 no hydrogen 3.240 N/A GLY 550.A N GLU 547.A O no hydrogen 2.939 N/A ARG 551.A N TRP 546.A O no hydrogen 3.107 N/A SER 558.A OG ALA 557.A O no hydrogen 2.599 N/A GLY 559.A N TYR 253.A O no hydrogen 3.013 N/A ILE 561.A N VAL 255.A O no hydrogen 2.670 N/A GLU 562.A N GLY 256.A O no hydrogen 3.355 N/A ARG 567.A N TYR 564.A O no hydrogen 3.435 N/A ARG 567.A NE HIS 573.A O no hydrogen 3.355 N/A ALA 571.A N ARG 567.A O no hydrogen 2.422 N/A GLY 572.A N PHE 568.A O no hydrogen 3.189 N/A PHE 579.A N PRO 577.A O no hydrogen 2.256 N/A PHE 589.A N PRO 586.A O no hydrogen 2.932 N/A TYR 590.A N VAL 710.A O no hydrogen 2.669 N/A TYR 590.A OH GLU 626.A OE1 no hydrogen 2.711 N/A ARG 591.A N ASP 662.A O no hydrogen 2.957 N/A ARG 591.A NH1 ARG 706.A O no hydrogen 2.858 N/A ARG 591.A NH2 GLU 583.A O no hydrogen 3.061 N/A LEU 592.A N ASN 708.A O no hydrogen 3.178 N/A LEU 593.A N VAL 664.A O no hydrogen 2.703 N/A TYR 594.A OH HIS 304.A NE2 no hydrogen 2.587 N/A SER 597.A OG ASP 615.A OD2 no hydrogen 2.553 N/A HIS 600.A N SER 597.A O no hydrogen 3.183 N/A HIS 600.A NE2 ASP 615.A O no hydrogen 2.395 N/A THR 601.A OG1 GLY 17.A O no hydrogen 2.941 N/A ARG 604.A NH2 GLU 16.A O no hydrogen 3.013 N/A THR 605.A N ALA 603.A O no hydrogen 2.848 N/A GLN 606.A N ALA 603.A O no hydrogen 3.387 N/A GLN 606.A NE2 THR 601.A O no hydrogen 3.680 N/A ASN 607.A ND2 ASP 62.A OD2 no hydrogen 2.868 N/A ASN 607.A ND2 ASP 64.A OD2 no hydrogen 3.121 N/A ASN 608.A N THR 605.A O no hydrogen 3.138 N/A ASN 608.A ND2 GLY 55.A O no hydrogen 3.087 N/A LEU 611.A N ASN 608.A OD1 no hydrogen 3.241 N/A MET 612.A N ASN 608.A O no hydrogen 2.680 N/A GLU 613.A N TRP 609.A O no hydrogen 3.154 N/A MET 614.A N LEU 611.A O no hydrogen 3.215 N/A ASP 615.A N LEU 611.A O no hydrogen 3.098 N/A VAL 620.A N ARG 652.A O no hydrogen 2.723 N/A TRP 621.A N TYR 665.A O no hydrogen 2.895 N/A ILE 622.A N LYS 654.A O no hydrogen 3.343 N/A GLU 625.A N HIS 623.A ND1 no hydrogen 2.896 N/A GLU 626.A N HIS 623.A O no hydrogen 2.935 N/A ALA 627.A N HIS 623.A O no hydrogen 3.076 N/A LYS 628.A N LYS 624.A O no hydrogen 3.268 N/A ARG 629.A N GLU 625.A O no hydrogen 3.263 N/A ARG 629.A NH1 GLU 626.A OE1 no hydrogen 3.407 N/A ARG 629.A NH2 GLU 626.A OE1 no hydrogen 2.699 N/A LEU 630.A N GLU 626.A O no hydrogen 2.897 N/A LEU 632.A N ALA 627.A O no hydrogen 2.902 N/A LYS 633.A N ASP 636.A OD2 no hydrogen 2.914 N/A ASP 636.A N LYS 633.A O no hydrogen 3.099 N/A TYR 637.A OH GLU 617.A OE1 no hydrogen 3.052 N/A TYR 637.A OH GLU 617.A OE2 no hydrogen 3.220 N/A VAL 638.A N VAL 651.A O no hydrogen 2.945 N/A MET 639.A N GLU 713.A O no hydrogen 2.797 N/A VAL 641.A N ARG 711.A O no hydrogen 2.906 N/A ASN 642.A N VAL 646.A O no hydrogen 2.900 N/A GLN 643.A N PHE 709.A O no hydrogen 3.173 N/A GLY 645.A N ASN 642.A O no hydrogen 2.883 N/A LYS 647.A NZ GLU 713.A OE1 no hydrogen 2.481 N/A GLU 648.A N LEU 640.A O no hydrogen 2.804 N/A VAL 651.A N VAL 638.A O no hydrogen 2.904 N/A ARG 652.A NH1 GLU 617.A OE2 no hydrogen 3.128 N/A VAL 653.A N ASP 636.A O no hydrogen 2.953 N/A LYS 654.A N VAL 620.A O no hydrogen 2.732 N/A ARG 658.A NH1 PHE 210.A O no hydrogen 2.733 N/A ARG 660.A N PRO 208.A O no hydrogen 3.261 N/A ARG 660.A NE ASP 662.A OD2 no hydrogen 2.499 N/A ARG 660.A NH1 PRO 222.A O no hydrogen 3.146 N/A ARG 660.A NH1 GLU 277.A OE1 no hydrogen 3.065 N/A ARG 660.A NH2 GLU 277.A OE1 no hydrogen 3.212 N/A ARG 660.A NH2 ASP 662.A OD2 no hydrogen 2.368 N/A LYS 661.A NZ GLU 625.A OE1 no hydrogen 2.637 N/A VAL 664.A N ARG 591.A O no hydrogen 2.957 N/A TYR 665.A N TRP 621.A O no hydrogen 3.312 N/A ILE 666.A N LEU 593.A O no hydrogen 3.101 N/A HIS 668.A N GLY 595.A O no hydrogen 2.930 N/A HIS 668.A ND1 ASP 687.A OD1 no hydrogen 2.457 N/A GLY 671.A N ARG 683.A O no hydrogen 2.741 N/A LYS 673.A NZ GLU 648.A OE2 no hydrogen 2.563 N/A LYS 673.A NZ GLY 671.A O no hydrogen 2.872 N/A ALA 674.A N HIS 681.A ND1 no hydrogen 3.028 N/A MET 677.A N ALA 674.A O no hydrogen 3.023 N/A ARG 678.A N ASP 64.A OD2 no hydrogen 3.260 N/A LEU 679.A N ASN 607.A OD1 no hydrogen 2.844 N/A ALA 680.A N MET 677.A O no hydrogen 3.344 N/A HIS 681.A N MET 677.A O no hydrogen 3.207 N/A GLY 682.A N HIS 672.A O no hydrogen 3.225 N/A ARG 683.A NH2 PRO 721.A O no hydrogen 3.539 N/A SER 686.A N GLU 648.A OE1 no hydrogen 2.563 N/A TYR 689.A N SER 686.A OG no hydrogen 3.083 N/A TYR 689.A OH GLU 442.A OE2 no hydrogen 2.356 N/A LEU 690.A N ASP 687.A O no hydrogen 2.924 N/A GLN 691.A N ASN 688.A O no hydrogen 3.154 N/A GLN 691.A NE2 ASP 687.A OD2 no hydrogen 3.221 N/A THR 692.A OG1 ASN 642.A OD1 no hydrogen 3.495 N/A ARG 693.A N ASN 708.A OD1 no hydrogen 3.344 N/A TYR 694.A OH GLU 390.A OE2 no hydrogen 2.919 N/A LYS 695.A N GLY 704.A O no hydrogen 3.168 N/A ASP 697.A N GLY 702.A O no hydrogen 2.687 N/A ILE 699.A N ASP 697.A OD1 no hydrogen 3.081 N/A SER 700.A OG ASP 697.A OD2 no hydrogen 2.643 N/A SER 700.A OG SER 700.A O no hydrogen 2.009 N/A GLY 702.A N SER 700.A O no hydrogen 2.039 N/A ALA 703.A N SER 142.A O no hydrogen 3.087 N/A GLY 704.A N LYS 695.A O no hydrogen 2.858 N/A ARG 706.A N TRP 307.A O no hydrogen 3.082 N/A ASN 708.A ND2 ARG 693.A O no hydrogen 2.988 N/A ASN 708.A ND2 LEU 705.A O no hydrogen 2.956 N/A VAL 710.A N TYR 590.A O no hydrogen 2.782 N/A ARG 711.A N VAL 641.A O no hydrogen 2.799 N/A GLU 713.A N MET 639.A O no hydrogen 3.033 N/A LYS 714.A NZ ASP 636.A OD2 no hydrogen 3.476 N/A ALA 715.A N TYR 637.A O no hydrogen 3.260 N/A ARG 717.A NH1 PRO 718.A O no hydrogen 3.487 N/A GLY 725.A N SER 722.A OG no hydrogen 3.170 N/A LEU 726.A N SER 722.A O no hydrogen 3.233 N/A ALA 727.A N LEU 723.A O no hydrogen 2.727 N/A LYS 728.A N THR 724.A O no hydrogen 2.869 N/A LYS 728.A N GLY 725.A O no hydrogen 3.175 N/A ARG 729.A N LEU 726.A O no hydrogen 3.011 N/A ARG 729.A NH2 ASP 64.A OD1 no hydrogen 2.115 N/A ARG 735.A N GLU 733.A O no hydrogen 3.516 N/A