Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7s1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 269.A OE1 no hydrogen 3.468 N/A VAL 2.A N GLU 269.A OE2 no hydrogen 2.866 N/A SER 4.A N ASP 27.A OD2 no hydrogen 3.318 N/A SER 4.A OG VAL 2.A O no hydrogen 3.506 N/A GLY 5.A N PHE 252.A O no hydrogen 2.895 N/A ARG 6.A N PHE 28.A O no hydrogen 3.040 N/A ARG 6.A NH1 ILE 254.A O no hydrogen 2.940 N/A ARG 6.A NH1 GLY 256.A O no hydrogen 2.781 N/A ARG 6.A NH2 GLY 256.A O no hydrogen 2.507 N/A ASP 7.A N ILE 254.A O no hydrogen 2.962 N/A LEU 8.A N CYS 30.A O no hydrogen 2.779 N/A THR 17.A N GLU 13.A O no hydrogen 3.035 N/A THR 17.A OG1 GLU 13.A O no hydrogen 3.144 N/A LEU 18.A N ILE 14.A O no hydrogen 2.874 N/A GLY 19.A N ALA 15.A O no hydrogen 3.300 N/A ALA 20.A N ASP 16.A O no hydrogen 3.015 N/A VAL 21.A N THR 17.A O no hydrogen 2.902 N/A ALA 22.A N LEU 18.A O no hydrogen 2.907 N/A LYS 23.A N GLY 19.A O no hydrogen 2.849 N/A GLN 24.A N ALA 20.A O no hydrogen 3.215 N/A GLN 24.A N VAL 21.A O no hydrogen 3.233 N/A GLY 25.A N ALA 22.A O no hydrogen 3.088 N/A PHE 26.A N VAL 21.A O no hydrogen 3.378 N/A ASP 27.A N SER 4.A O no hydrogen 2.774 N/A LEU 29.A N LEU 69.A O no hydrogen 2.741 N/A CYS 30.A N ARG 6.A O no hydrogen 2.606 N/A MET 31.A N VAL 71.A O no hydrogen 3.050 N/A ARG 37.A N HIS 35.A ND1 no hydrogen 3.056 N/A PHE 38.A N HIS 35.A O no hydrogen 2.983 N/A LYS 39.A N ARG 37.A O no hydrogen 2.788 N/A ARG 40.A NE GLN 97.A OE1 no hydrogen 2.915 N/A ARG 40.A NH2 GLN 97.A OE1 no hydrogen 3.241 N/A ARG 40.A NH2 GLU 98.A OE2 no hydrogen 2.821 N/A PHE 42.A N ASN 90.A OD1 no hydrogen 3.126 N/A ILE 43.A N GLU 41.A OE2 no hydrogen 3.359 N/A GLN 44.A N GLU 41.A OE2 no hydrogen 2.763 N/A LYS 48.A N GLN 44.A O no hydrogen 3.101 N/A ASN 49.A N PRO 46.A O no hydrogen 3.309 N/A ARG 50.A NH1 LYS 39.A O no hydrogen 2.654 N/A ARG 50.A NH2 LYS 39.A O no hydrogen 3.088 N/A GLN 54.A NE2 ARG 50.A O no hydrogen 3.451 N/A THR 55.A OG1 VAL 33.A O no hydrogen 2.469 N/A ARG 56.A N THR 55.A OG1 no hydrogen 2.618 N/A ARG 56.A NH1 VAL 11.A O no hydrogen 3.097 N/A ARG 56.A NH2 VAL 11.A O no hydrogen 2.189 N/A SER 57.A OG ASP 58.A OD1 no hydrogen 3.262 N/A LEU 59.A N SER 57.A OG no hydrogen 3.107 N/A LEU 60.A N SER 57.A O no hydrogen 3.495 N/A ASP 65.A N SER 62.A OG no hydrogen 3.266 N/A TRP 66.A N SER 62.A O no hydrogen 3.180 N/A TRP 66.A NE1 ASP 58.A O no hydrogen 3.011 N/A ASN 67.A N GLY 63.A O no hydrogen 3.061 N/A THR 68.A N ARG 64.A O no hydrogen 3.057 N/A THR 68.A OG1 ARG 64.A O no hydrogen 2.851 N/A LEU 69.A N ASP 65.A O no hydrogen 2.917 N/A VAL 71.A N LEU 29.A O no hydrogen 2.811 N/A GLY 72.A N ALA 109.A O no hydrogen 3.310 N/A LYS 73.A NZ ASP 7.A OD1 no hydrogen 2.755 N/A LYS 73.A NZ LEU 8.A O no hydrogen 3.220 N/A LYS 73.A NZ ASN 9.A OD1 no hydrogen 3.268 N/A LEU 74.A N LEU 111.A O no hydrogen 3.233 N/A SER 75.A N GLU 98.A OE1 no hydrogen 2.912 N/A SER 75.A OG GLU 98.A OE1 no hydrogen 3.305 N/A SER 75.A OG GLU 98.A OE2 no hydrogen 2.478 N/A ILE 78.A N SER 75.A O no hydrogen 3.169 N/A ARG 79.A N SER 91.A OG no hydrogen 3.056 N/A ARG 79.A NH2 ASN 115.A OD1 no hydrogen 2.918 N/A ARG 79.A NH2 GLN 116.A OE1 no hydrogen 2.893 N/A SER 82.A N ARG 79.A O no hydrogen 3.323 N/A SER 82.A OG VAL 84.A O no hydrogen 3.493 N/A VAL 84.A N SER 82.A OG no hydrogen 2.955 N/A LYS 86.A NZ GLN 44.A OE1 no hydrogen 3.460 N/A ARG 88.A N VAL 84.A O no hydrogen 3.150 N/A ARG 88.A NH1 SER 82.A O no hydrogen 2.962 N/A ARG 89.A N GLU 85.A O no hydrogen 2.960 N/A ARG 89.A NH2 GLU 85.A OE2 no hydrogen 2.920 N/A ASN 90.A N LYS 86.A O no hydrogen 3.011 N/A SER 91.A N ILE 87.A O no hydrogen 2.893 N/A SER 91.A OG ARG 79.A O no hydrogen 3.146 N/A SER 91.A OG ILE 87.A O no hydrogen 2.584 N/A GLU 92.A N ARG 88.A O no hydrogen 2.758 N/A ALA 93.A N ARG 89.A O no hydrogen 3.160 N/A ALA 94.A N ASN 90.A O no hydrogen 2.793 N/A MET 95.A N SER 91.A O no hydrogen 2.744 N/A LEU 96.A N GLU 92.A O no hydrogen 3.137 N/A GLN 97.A N ALA 93.A O no hydrogen 3.033 N/A GLU 98.A N ALA 94.A O no hydrogen 2.905 N/A LEU 99.A N MET 95.A O no hydrogen 2.848 N/A ASN 100.A N LEU 96.A O no hydrogen 2.777 N/A PHE 101.A N GLN 97.A O no hydrogen 3.051 N/A GLY 102.A N GLU 98.A O no hydrogen 2.939 N/A ALA 103.A N LEU 99.A O no hydrogen 2.979 N/A TYR 104.A N ASN 100.A O no hydrogen 2.792 N/A TYR 104.A OH ASP 58.A OD2 no hydrogen 2.574 N/A LEU 105.A N PHE 101.A O no hydrogen 2.931 N/A GLY 106.A N ALA 103.A O no hydrogen 3.010 N/A LEU 107.A N GLY 102.A O no hydrogen 3.112 N/A LEU 111.A N GLY 72.A O no hydrogen 2.961 N/A LEU 112.A N TRP 140.A O no hydrogen 2.841 N/A LEU 114.A N ARG 142.A O no hydrogen 2.752 N/A THR 120.A N ASP 118.A OD1 no hydrogen 3.169 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 2.739 N/A ASN 121.A N ASP 81.A OD1 no hydrogen 2.718 N/A ASN 121.A ND2 PRO 80.A O no hydrogen 2.713 N/A ASN 121.A ND2 GLU 92.A OE2 no hydrogen 2.682 N/A LEU 122.A N ASP 81.A OD2 no hydrogen 2.973 N/A ALA 123.A N ASN 119.A O no hydrogen 2.912 N/A ARG 124.A N THR 120.A O no hydrogen 3.068 N/A ARG 124.A NE ASN 121.A OD1 no hydrogen 3.614 N/A VAL 125.A N ASN 121.A O no hydrogen 3.091 N/A LEU 126.A N LEU 122.A O no hydrogen 3.276 N/A THR 127.A N ALA 123.A O no hydrogen 2.849 N/A THR 127.A OG1 ALA 123.A O no hydrogen 2.444 N/A ASN 128.A N ARG 124.A O no hydrogen 2.867 N/A HIS 129.A N VAL 125.A O no hydrogen 3.200 N/A ILE 130.A N LEU 126.A O no hydrogen 3.023 N/A HIS 131.A N THR 127.A O no hydrogen 3.180 N/A HIS 131.A ND1 THR 127.A O no hydrogen 2.668 N/A THR 132.A N HIS 129.A O no hydrogen 3.187 N/A THR 132.A OG1 ASN 128.A O no hydrogen 2.703 N/A SER 137.A N HIS 135.A O no hydrogen 2.844 N/A PHE 139.A N ARG 189.A O no hydrogen 2.918 N/A TRP 140.A N PHE 110.A O no hydrogen 2.684 N/A MET 141.A N ALA 191.A O no hydrogen 3.052 N/A ARG 142.A N LEU 112.A O no hydrogen 2.562 N/A ARG 142.A NE GLU 195.A OE1 no hydrogen 3.197 N/A ARG 142.A NE GLU 195.A OE2 no hydrogen 3.322 N/A ARG 142.A NH1 ASP 7.A OD2 no hydrogen 3.445 N/A ARG 142.A NH2 GLU 195.A OE2 no hydrogen 2.735 N/A VAL 143.A N ALA 193.A O no hydrogen 3.333 N/A LEU 145.A N GLU 195.A O no hydrogen 2.903 N/A ASP 150.A N ALA 147.A O no hydrogen 2.875 N/A LEU 151.A N PRO 148.A O no hydrogen 3.441 N/A ARG 152.A NE GLU 149.A OE2 no hydrogen 2.899 N/A ARG 152.A NH2 ALA 159.A O no hydrogen 2.872 N/A ALA 159.A N ILE 156.A O no hydrogen 3.477 N/A THR 161.A N ASP 154.A OD1 no hydrogen 3.176 N/A THR 162.A OG1 THR 164.A O no hydrogen 3.147 N/A GLU 170.A N GLU 166.A O no hydrogen 2.751 N/A GLU 171.A N SER 168.A O no hydrogen 3.108 N/A LYS 172.A N GLY 169.A O no hydrogen 3.162 N/A LYS 172.A NZ ASP 150.A OD2 no hydrogen 2.838 N/A LYS 172.A NZ GLY 169.A O no hydrogen 2.832 N/A THR 173.A OG1 PRO 144.A O no hydrogen 3.078 N/A THR 173.A OG1 LEU 145.A O no hydrogen 3.160 N/A TRP 174.A NE1 GLU 212.A OE2 no hydrogen 2.801 N/A MET 175.A N GLU 171.A O no hydrogen 3.437 N/A TRP 176.A N LYS 172.A O no hydrogen 3.053 N/A TRP 177.A N THR 173.A O no hydrogen 3.269 N/A TRP 177.A NE1 GLU 212.A OE1 no hydrogen 2.640 N/A HIS 178.A N TRP 174.A O no hydrogen 2.828 N/A ASN 179.A N MET 175.A O no hydrogen 2.924 N/A PHE 180.A N TRP 176.A O no hydrogen 3.098 N/A ARG 181.A N TRP 177.A O no hydrogen 2.917 N/A ARG 181.A NE HIS 178.A ND1 no hydrogen 3.111 N/A ARG 181.A NH1 GLU 212.A OE1 no hydrogen 2.895 N/A ARG 181.A NH2 HIS 178.A ND1 no hydrogen 3.438 N/A ARG 181.A NH2 GLU 212.A OE1 no hydrogen 3.436 N/A ARG 181.A NH2 GLU 212.A OE2 no hydrogen 3.105 N/A THR 182.A N HIS 178.A O no hydrogen 3.186 N/A THR 182.A OG1 HIS 178.A O no hydrogen 2.582 N/A LEU 183.A N ASN 179.A O no hydrogen 2.984 N/A CYS 184.A N PHE 180.A O no hydrogen 3.059 N/A CYS 184.A SG ALA 123.A O no hydrogen 3.847 N/A CYS 184.A SG THR 127.A OG1 no hydrogen 3.532 N/A CYS 184.A SG PHE 180.A O no hydrogen 3.375 N/A ASP 185.A N THR 182.A O no hydrogen 3.051 N/A TYR 186.A N ARG 181.A O no hydrogen 2.890 N/A ARG 189.A N SER 187.A OG no hydrogen 3.122 N/A ARG 189.A NE HIS 135.A O no hydrogen 2.670 N/A ARG 189.A NH2 HIS 135.A O no hydrogen 2.573 N/A ILE 190.A N SER 187.A O no hydrogen 3.428 N/A ALA 191.A N PHE 139.A O no hydrogen 3.002 N/A VAL 192.A N PRO 213.A O no hydrogen 2.917 N/A ALA 193.A N MET 141.A O no hydrogen 2.820 N/A LEU 194.A N ALA 216.A O no hydrogen 2.985 N/A GLU 195.A N VAL 143.A O no hydrogen 3.035 N/A ILE 196.A N ILE 218.A O no hydrogen 2.973 N/A HIS 204.A ND1 GLU 171.A OE2 no hydrogen 2.703 N/A VAL 205.A N SER 202.A O no hydrogen 3.198 N/A ASP 207.A N ASN 203.A O no hydrogen 2.962 N/A ARG 208.A N VAL 205.A O no hydrogen 3.161 N/A ARG 208.A NE GLU 171.A OE1 no hydrogen 2.877 N/A ARG 208.A NH2 GLU 171.A OE1 no hydrogen 3.338 N/A TRP 209.A N ILE 206.A O no hydrogen 3.086 N/A LEU 210.A N ASP 207.A O no hydrogen 3.137 N/A GLY 211.A N ASN 487.A OD1 no hydrogen 3.064 N/A GLU 212.A N TRP 209.A O no hydrogen 3.312 N/A ILE 214.A N GLU 212.A O no hydrogen 2.827 N/A LYS 215.A N VAL 192.A O no hydrogen 3.077 N/A ALA 217.A N GLN 251.A O no hydrogen 2.949 N/A ILE 218.A N LEU 194.A O no hydrogen 2.786 N/A LEU 219.A N ILE 253.A O no hydrogen 2.622 N/A THR 221.A N THR 255.A O no hydrogen 2.901 N/A THR 221.A OG1 THR 257.A O no hydrogen 2.612 N/A ILE 223.A N PRO 220.A O no hydrogen 3.264 N/A PHE 224.A N THR 221.A O no hydrogen 3.226 N/A LEU 225.A N VAL 233.A O no hydrogen 2.530 N/A THR 226.A OG1 HIS 260.A NE2 no hydrogen 2.944 N/A ASN 227.A N PHE 231.A O no hydrogen 3.287 N/A GLY 230.A N ASN 227.A O no hydrogen 3.139 N/A PHE 231.A N ASN 227.A OD1 no hydrogen 2.570 N/A VAL 233.A N LEU 225.A O no hydrogen 3.147 N/A LEU 234.A N TYR 267.A OH no hydrogen 3.175 N/A SER 235.A OG HIS 238.A ND1 no hydrogen 2.737 N/A HIS 238.A N SER 235.A OG no hydrogen 3.283 N/A HIS 238.A ND1 SER 235.A OG no hydrogen 2.737 N/A HIS 238.A NE2 GLY 197.A O no hydrogen 3.080 N/A GLN 239.A N SER 235.A O no hydrogen 2.866 N/A GLN 239.A NE2 LEU 234.A O no hydrogen 2.748 N/A ARG 240.A N LYS 236.A O no hydrogen 2.934 N/A LEU 241.A N MET 237.A O no hydrogen 3.120 N/A ILE 242.A N HIS 238.A O no hydrogen 2.768 N/A PHE 243.A N GLN 239.A O no hydrogen 2.986 N/A ARG 244.A N ARG 240.A O no hydrogen 3.250 N/A ARG 244.A NH1 ASP 207.A OD1 no hydrogen 2.944 N/A LEU 245.A N LEU 241.A O no hydrogen 2.921 N/A LEU 246.A N ILE 242.A O no hydrogen 2.830 N/A LYS 247.A N PHE 243.A O no hydrogen 3.351 N/A LEU 248.A N LEU 245.A O no hydrogen 3.249 N/A GLU 249.A N LEU 246.A O no hydrogen 2.942 N/A VAL 250.A N LEU 245.A O no hydrogen 3.529 N/A GLN 251.A N LYS 215.A O no hydrogen 3.215 N/A GLN 251.A NE2 SER 3.A OG no hydrogen 2.645 N/A PHE 252.A N SER 3.A O no hydrogen 3.149 N/A ILE 253.A N ALA 217.A O no hydrogen 2.705 N/A ILE 254.A N GLY 5.A O no hydrogen 2.969 N/A THR 255.A N LEU 219.A O no hydrogen 3.262 N/A THR 255.A OG1 ASP 7.A OD2 no hydrogen 2.425 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 3.149 N/A HIS 259.A N TYR 264.A OH no hydrogen 3.098 N/A HIS 260.A N ASN 258.A OD1 no hydrogen 2.976 N/A HIS 260.A ND1 TYR 264.A OH no hydrogen 2.844 N/A HIS 260.A NE2 LEU 225.A O no hydrogen 3.199 N/A HIS 260.A NE2 THR 226.A OG1 no hydrogen 2.944 N/A TYR 264.A OH HIS 260.A ND1 no hydrogen 2.844 N/A GLN 266.A N CYS 262.A O no hydrogen 2.847 N/A TYR 267.A N SER 263.A O no hydrogen 3.095 N/A LEU 268.A N TYR 264.A O no hydrogen 3.415 N/A GLU 269.A N LEU 265.A O no hydrogen 3.065 N/A TYR 270.A N GLN 266.A O no hydrogen 2.815 N/A LEU 271.A N TYR 267.A O no hydrogen 3.081 N/A SER 272.A N LEU 268.A O no hydrogen 3.016 N/A GLN 273.A N GLU 269.A O no hydrogen 3.278 N/A GLN 273.A NE2 GLU 269.A OE1 no hydrogen 3.417 N/A ARG 275.A NE SER 272.A O no hydrogen 2.969 N/A ALA 280.A N TYR 276.A O no hydrogen 2.714 N/A ASP 285.A N ARG 484.A O no hydrogen 2.806 N/A TYR 286.A N TYR 283.A O no hydrogen 3.086 N/A GLN 288.A N VAL 482.A O no hydrogen 2.899 N/A GLN 292.A NE2 THR 613.A O no hydrogen 3.040 N/A ASP 296.A N GLN 292.A O no hydrogen 2.964 N/A TYR 303.A N GLU 299.A O no hydrogen 3.369 N/A GLU 304.A N SER 300.A O no hydrogen 3.116 N/A VAL 305.A N GLN 301.A O no hydrogen 3.102 N/A PHE 306.A N THR 302.A O no hydrogen 3.391 N/A GLU 307.A N TYR 303.A O no hydrogen 3.068 N/A LYS 308.A N GLU 304.A O no hydrogen 3.311 N/A LYS 308.A N VAL 305.A O no hydrogen 3.289 N/A LYS 312.A N ASP 309.A O no hydrogen 3.187 N/A LYS 312.A N ASP 309.A OD1 no hydrogen 2.949 N/A LYS 312.A NZ PHE 306.A O no hydrogen 2.873 N/A LYS 312.A NZ GLU 414.A OE1 no hydrogen 3.344 N/A LYS 312.A NZ SER 557.A OG no hydrogen 3.241 N/A TYR 313.A N ASP 309.A O no hydrogen 3.425 N/A TYR 313.A OH PHE 306.A O no hydrogen 3.203 N/A SER 314.A N PRO 310.A O no hydrogen 3.087 N/A SER 314.A OG PRO 310.A O no hydrogen 2.988 N/A SER 314.A OG ILE 311.A O no hydrogen 3.060 N/A GLN 315.A N ILE 311.A O no hydrogen 3.377 N/A TYR 316.A N LYS 312.A O no hydrogen 3.416 N/A TYR 316.A OH SER 413.A O no hydrogen 2.720 N/A GLN 317.A N TYR 313.A O no hydrogen 2.838 N/A GLN 318.A N SER 314.A O no hydrogen 2.919 N/A ALA 319.A N GLN 315.A O no hydrogen 2.816 N/A ILE 320.A N TYR 316.A O no hydrogen 2.883 N/A TYR 321.A N GLN 317.A O no hydrogen 2.702 N/A LYS 322.A N GLN 318.A O no hydrogen 2.904 N/A LYS 322.A NZ ASP 541.A OD1 no hydrogen 3.177 N/A CYS 323.A N ALA 319.A O no hydrogen 3.081 N/A LEU 324.A N ILE 320.A O no hydrogen 3.054 N/A LEU 325.A N TYR 321.A O no hydrogen 3.476 N/A ASP 326.A N LYS 322.A O no hydrogen 3.124 N/A ARG 327.A N LEU 324.A O no hydrogen 3.297 N/A ARG 327.A NE GLN 338.A OE1 no hydrogen 3.067 N/A ARG 327.A NH1 ASP 439.A O no hydrogen 2.528 N/A ARG 327.A NH2 ASP 409.A OD1 no hydrogen 3.051 N/A ARG 327.A NH2 ASP 439.A O no hydrogen 3.462 N/A ARG 327.A NH2 ASP 439.A OD1 no hydrogen 3.495 N/A VAL 328.A N LEU 324.A O no hydrogen 2.900 N/A THR 335.A N GLU 332.A O no hydrogen 3.082 N/A ASN 336.A N GLU 332.A O no hydrogen 2.865 N/A ASN 336.A ND2 GLU 332.A OE1 no hydrogen 3.266 N/A GLN 338.A N ARG 364.A O no hydrogen 2.932 N/A GLN 338.A NE2 ASN 336.A OD1 no hydrogen 2.829 N/A VAL 339.A N ASP 409.A OD2 no hydrogen 3.164 N/A LEU 340.A N LYS 366.A O no hydrogen 2.830 N/A MET 341.A N ILE 410.A O no hydrogen 3.018 N/A VAL 342.A N TYR 368.A O no hydrogen 2.782 N/A LEU 343.A N VAL 412.A O no hydrogen 2.682 N/A GLY 344.A N VAL 370.A O no hydrogen 2.694 N/A ALA 345.A N VAL 370.A O no hydrogen 3.143 N/A GLY 346.A N GLU 371.A OE1 no hydrogen 2.781 N/A ARG 347.A NE GLU 307.A OE2 no hydrogen 3.068 N/A ARG 347.A NH2 GLU 307.A OE1 no hydrogen 3.126 N/A GLY 348.A N ALA 345.A O no hydrogen 2.906 N/A ALA 353.A N PRO 349.A O no hydrogen 2.725 N/A SER 354.A N LEU 350.A O no hydrogen 2.908 N/A SER 354.A N VAL 351.A O no hydrogen 3.143 N/A SER 354.A OG LEU 350.A O no hydrogen 2.715 N/A LEU 355.A N VAL 351.A O no hydrogen 2.980 N/A ARG 356.A N ASN 352.A O no hydrogen 2.894 N/A ARG 356.A NE GLN 317.A OE1 no hydrogen 2.980 N/A ALA 357.A N ALA 353.A O no hydrogen 3.206 N/A ALA 358.A N SER 354.A O no hydrogen 2.887 N/A LYS 359.A N LEU 355.A O no hydrogen 3.057 N/A GLN 360.A N ARG 356.A O no hydrogen 3.323 N/A ALA 361.A N ALA 357.A O no hydrogen 3.151 N/A ASP 362.A N LYS 359.A O no hydrogen 3.032 N/A ARG 363.A N ALA 358.A O no hydrogen 3.080 N/A ARG 363.A NE VAL 328.A O no hydrogen 2.931 N/A ARG 363.A NH1 ASP 362.A O no hydrogen 3.432 N/A ARG 363.A NH2 VAL 328.A O no hydrogen 2.732 N/A ARG 364.A NH1 ASP 334.A O no hydrogen 3.130 N/A LYS 366.A N GLN 338.A O no hydrogen 2.638 N/A LYS 366.A NZ GLU 406.A OE2 no hydrogen 3.085 N/A LEU 367.A N GLN 391.A O no hydrogen 3.383 N/A TYR 368.A N LEU 340.A O no hydrogen 2.881 N/A TYR 368.A OH GLU 406.A OE2 no hydrogen 2.852 N/A ALA 369.A N THR 393.A O no hydrogen 2.870 N/A VAL 370.A N VAL 342.A O no hydrogen 2.933 N/A GLU 371.A N VAL 395.A O no hydrogen 3.055 N/A LYS 372.A NZ PRO 293.A O no hydrogen 3.104 N/A LYS 372.A NZ LEU 294.A O no hydrogen 2.941 N/A LYS 372.A NZ ASP 296.A O no hydrogen 3.028 N/A LYS 372.A NZ ASN 297.A OD1 no hydrogen 2.803 N/A ASN 373.A N GLU 371.A OE2 no hydrogen 2.975 N/A ASN 373.A ND2 LEU 298.A O no hydrogen 3.194 N/A ASN 373.A ND2 TYR 303.A OH no hydrogen 3.171 N/A ASN 375.A N ASN 373.A OD1 no hydrogen 3.104 N/A ASN 375.A ND2 ASN 373.A OD1 no hydrogen 2.985 N/A VAL 377.A N ASN 373.A O no hydrogen 3.155 N/A VAL 378.A N PRO 374.A O no hydrogen 3.363 N/A LEU 380.A N ALA 376.A O no hydrogen 3.005 N/A GLU 381.A N VAL 377.A O no hydrogen 2.834 N/A ASN 382.A N VAL 378.A O no hydrogen 3.249 N/A ASN 382.A ND2 VAL 378.A O no hydrogen 2.659 N/A TRP 383.A N THR 379.A O no hydrogen 2.925 N/A GLN 384.A N LEU 380.A O no hydrogen 2.631 N/A GLN 384.A NE2 VAL 392.A O no hydrogen 3.325 N/A PHE 385.A N GLU 381.A O no hydrogen 2.967 N/A GLU 386.A N ASN 382.A O no hydrogen 3.103 N/A GLU 387.A N TRP 383.A O no hydrogen 3.080 N/A TRP 388.A N TRP 383.A O no hydrogen 3.048 N/A TRP 388.A NE1 ASN 352.A OD1 no hydrogen 2.426 N/A GLY 389.A N GLN 384.A O no hydrogen 2.713 N/A GLN 391.A NE2 ILE 365.A O no hydrogen 3.472 N/A VAL 392.A N GLY 389.A O no hydrogen 3.428 N/A THR 393.A N LEU 367.A O no hydrogen 2.992 N/A VAL 395.A N ALA 369.A O no hydrogen 2.789 N/A SER 397.A N GLU 371.A O no hydrogen 3.087 N/A SER 397.A OG ASP 398.A O no hydrogen 3.204 N/A ARG 400.A N ASP 398.A OD1 no hydrogen 2.967 N/A ARG 400.A NE ASP 398.A OD1 no hydrogen 3.270 N/A ARG 400.A NH1 LEU 616.A OXT no hydrogen 2.833 N/A ARG 400.A NH2 ASP 398.A OD2 no hydrogen 2.805 N/A ARG 400.A NH2 LEU 616.A OXT no hydrogen 2.978 N/A GLU 401.A N ASP 398.A O no hydrogen 2.907 N/A ALA 408.A N PHE 435.A O no hydrogen 3.039 N/A ASP 409.A N VAL 339.A O no hydrogen 2.908 N/A ILE 410.A N VAL 339.A O no hydrogen 3.260 N/A ILE 411.A N VAL 441.A O no hydrogen 3.090 N/A VAL 412.A N MET 341.A O no hydrogen 2.950 N/A SER 413.A N ILE 443.A O no hydrogen 2.969 N/A GLY 417.A N ALA 420.A O no hydrogen 2.940 N/A SER 418.A OG PHE 559.A O no hydrogen 2.620 N/A PHE 419.A N ASN 422.A OD1 no hydrogen 2.745 N/A ALA 420.A N GLY 417.A O no hydrogen 2.967 N/A ASP 421.A N PHE 419.A O no hydrogen 2.703 N/A LEU 424.A N ASP 421.A O no hydrogen 3.001 N/A SER 425.A OG TYR 447.A OH no hydrogen 2.953 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.574 N/A CYS 428.A N LEU 424.A O no hydrogen 3.204 N/A CYS 428.A SG LEU 424.A O no hydrogen 3.454 N/A LEU 429.A N SER 425.A O no hydrogen 3.014 N/A ASP 430.A N PRO 426.A O no hydrogen 2.986 N/A GLY 431.A N GLU 427.A O no hydrogen 3.195 N/A ALA 432.A N CYS 428.A O no hydrogen 3.154 N/A ALA 432.A N LEU 429.A O no hydrogen 3.190 N/A GLN 433.A N ASP 430.A O no hydrogen 3.004 N/A GLN 433.A NE2 ASN 504.A O no hydrogen 3.652 N/A LEU 436.A N GLN 433.A O no hydrogen 3.301 N/A LYS 437.A N ALA 408.A O no hydrogen 3.104 N/A LYS 437.A NZ ASP 409.A OD1 no hydrogen 2.931 N/A LYS 437.A NZ ASP 409.A OD2 no hydrogen 3.330 N/A GLY 440.A N LYS 437.A O no hydrogen 2.851 N/A VAL 441.A N ASP 409.A O no hydrogen 2.855 N/A SER 442.A OG PRO 444.A O no hydrogen 2.952 N/A ILE 443.A N ILE 411.A O no hydrogen 2.805 N/A GLY 445.A N VAL 537.A O no hydrogen 2.935 N/A TYR 447.A N PHE 500.A O no hydrogen 3.104 N/A TYR 447.A OH SER 425.A OG no hydrogen 2.953 N/A TYR 447.A OH HIS 502.A NE2 no hydrogen 2.694 N/A THR 448.A N GLU 535.A O no hydrogen 2.744 N/A THR 448.A OG1 THR 499.A OG1 no hydrogen 2.874 N/A SER 449.A N PHE 498.A O no hydrogen 2.900 N/A SER 449.A OG PHE 498.A O no hydrogen 3.315 N/A PHE 450.A N TYR 533.A O no hydrogen 2.813 N/A LEU 451.A N GLN 495.A O no hydrogen 3.025 N/A ALA 452.A N ALA 531.A O no hydrogen 2.976 N/A ILE 454.A N GLY 529.A O no hydrogen 2.886 N/A SER 455.A N HIS 489.A O no hydrogen 2.707 N/A SER 455.A OG THR 525.A OG1 no hydrogen 3.127 N/A SER 455.A OG VAL 526.A O no hydrogen 2.677 N/A SER 456.A N HIS 528.A ND1 no hydrogen 2.966 N/A SER 456.A OG ASN 487.A O no hydrogen 2.851 N/A LYS 458.A N GLY 211.A O no hydrogen 3.248 N/A LYS 458.A NZ ASP 285.A OD2 no hydrogen 3.006 N/A LEU 459.A N SER 456.A OG no hydrogen 3.023 N/A TYR 460.A N SER 456.A O no hydrogen 2.993 N/A TYR 460.A OH LYS 566.A O no hydrogen 2.716 N/A ASN 461.A N SER 457.A O no hydrogen 3.244 N/A ASN 461.A ND2 TYR 186.A O no hydrogen 2.556 N/A GLU 462.A N LYS 458.A O no hydrogen 3.041 N/A VAL 463.A N LEU 459.A O no hydrogen 2.937 N/A ARG 464.A N TYR 460.A O no hydrogen 2.976 N/A ARG 464.A NH1 ASN 461.A OD1 no hydrogen 3.408 N/A ALA 465.A N ASN 461.A O no hydrogen 3.229 N/A ALA 465.A N GLU 462.A O no hydrogen 3.118 N/A CYS 466.A N VAL 463.A O no hydrogen 3.040 N/A CYS 466.A SG GLU 462.A O no hydrogen 3.615 N/A ARG 471.A NH2 CYS 466.A O no hydrogen 2.735 N/A GLU 474.A N ASP 472.A OD1 no hydrogen 2.758 N/A ALA 475.A N ASP 472.A O no hydrogen 3.083 N/A GLN 476.A N GLN 476.A OE1 no hydrogen 2.648 N/A GLN 476.A NE2 PRO 473.A O no hydrogen 2.773 N/A PHE 477.A N GLU 474.A O no hydrogen 3.208 N/A GLU 478.A N ALA 475.A O no hydrogen 3.045 N/A TYR 481.A N LEU 562.A O no hydrogen 3.027 N/A TYR 481.A OH GLN 476.A O no hydrogen 2.787 N/A VAL 482.A N GLN 288.A O no hydrogen 2.738 N/A VAL 483.A N PRO 560.A O no hydrogen 3.016 N/A ARG 484.A NE LEU 485.A O no hydrogen 2.914 N/A ARG 484.A NH2 LEU 485.A O no hydrogen 2.759 N/A HIS 486.A N ASP 285.A OD1 no hydrogen 2.834 N/A HIS 486.A NE2 LYS 247.A O no hydrogen 2.709 N/A ASN 487.A N ASP 285.A OD2 no hydrogen 3.043 N/A ASN 487.A ND2 GLU 212.A O no hydrogen 2.856 N/A HIS 489.A N SER 455.A O no hydrogen 2.760 N/A LEU 491.A N PRO 453.A O no hydrogen 2.866 N/A SER 492.A OG PRO 520.A O no hydrogen 3.221 N/A GLN 495.A N LEU 451.A O no hydrogen 2.978 N/A GLN 495.A NE2 GLU 518.A O no hydrogen 2.878 N/A CYS 497.A N SER 449.A O no hydrogen 2.459 N/A PHE 498.A N SER 449.A OG no hydrogen 2.959 N/A THR 499.A OG1 THR 448.A OG1 no hydrogen 2.874 N/A PHE 500.A N TYR 447.A O no hydrogen 3.056 N/A HIS 502.A N GLY 445.A O no hydrogen 2.693 N/A HIS 502.A NE2 TYR 447.A OH no hydrogen 2.694 N/A ASP 506.A N ASN 504.A OD1 no hydrogen 3.384 N/A MET 508.A N ASP 506.A OD2 no hydrogen 2.913 N/A ASN 511.A ND2 ASP 430.A OD2 no hydrogen 3.236 N/A ASN 512.A N ASP 510.A OD1 no hydrogen 3.157 N/A ARG 513.A N ARG 583.A O no hydrogen 3.064 N/A ARG 513.A NH1 ASP 510.A O no hydrogen 2.680 N/A ARG 513.A NH2 THR 499.A O no hydrogen 3.093 N/A CYS 515.A N PHE 581.A O no hydrogen 2.930 N/A CYS 515.A SG CYS 497.A O no hydrogen 3.718 N/A LEU 517.A N VAL 579.A O no hydrogen 2.998 N/A PHE 519.A N ILE 577.A O no hydrogen 2.667 N/A VAL 521.A N GLN 575.A O no hydrogen 3.088 N/A ASN 524.A ND2 SER 168.A OG no hydrogen 3.393 N/A ASN 524.A ND2 GLU 171.A OE1 no hydrogen 3.188 N/A THR 525.A N VAL 571.A O no hydrogen 2.976 N/A LEU 527.A N ILE 569.A O no hydrogen 2.748 N/A HIS 528.A N ILE 454.A O no hydrogen 3.277 N/A PHE 530.A N PHE 563.A O no hydrogen 2.767 N/A ALA 531.A N ALA 452.A O no hydrogen 2.688 N/A GLY 532.A N ILE 561.A O no hydrogen 2.668 N/A TYR 533.A N PHE 450.A O no hydrogen 2.956 N/A GLU 535.A N THR 448.A O no hydrogen 2.820 N/A THR 536.A N LEU 544.A O no hydrogen 2.872 N/A THR 536.A OG1 GLU 446.A O no hydrogen 2.810 N/A VAL 537.A N GLU 446.A O no hydrogen 2.877 N/A LEU 538.A N ILE 542.A O no hydrogen 2.962 N/A TYR 539.A N ILE 542.A O no hydrogen 3.278 N/A TYR 539.A OH ASP 326.A OD2 no hydrogen 3.179 N/A GLN 540.A NE2 ASP 326.A OD2 no hydrogen 2.857 N/A ASP 541.A N ASP 541.A OD1 no hydrogen 2.661 N/A ILE 542.A N TYR 539.A O no hydrogen 2.941 N/A LEU 544.A N THR 536.A O no hydrogen 3.013 N/A SER 545.A N SER 552.A OG no hydrogen 2.881 N/A SER 545.A OG THR 550.A O no hydrogen 3.095 N/A SER 545.A OG THR 550.A OG1 no hydrogen 3.080 N/A ILE 546.A N PHE 534.A O no hydrogen 3.062 N/A ARG 547.A N SER 545.A OG no hydrogen 3.087 N/A ARG 547.A NH1 GLU 535.A OE2 no hydrogen 3.389 N/A THR 550.A N ARG 547.A O no hydrogen 2.989 N/A THR 550.A OG1 GLU 535.A OE2 no hydrogen 2.229 N/A THR 550.A OG1 SER 545.A OG no hydrogen 3.080 N/A HIS 551.A N PRO 548.A O no hydrogen 3.385 N/A HIS 551.A ND1 SER 552.A O no hydrogen 2.800 N/A SER 552.A N SER 545.A O no hydrogen 2.972 N/A SER 552.A OG SER 545.A O no hydrogen 3.266 N/A MET 555.A N SER 552.A O no hydrogen 3.438 N/A SER 557.A N ASP 309.A OD2 no hydrogen 2.858 N/A SER 557.A OG ASP 309.A OD2 no hydrogen 2.718 N/A TRP 558.A NE1 LEU 416.A O no hydrogen 3.292 N/A ILE 561.A N GLY 532.A O no hydrogen 3.003 N/A LEU 562.A N TYR 481.A O no hydrogen 2.714 N/A PHE 563.A N PHE 530.A O no hydrogen 2.872 N/A ILE 565.A N HIS 528.A O no hydrogen 3.227 N/A LYS 566.A N HIS 605.A NE2 no hydrogen 2.888 N/A LYS 566.A NZ GLU 474.A OE1 no hydrogen 2.936 N/A LYS 566.A NZ GLU 478.A OE2 no hydrogen 3.427 N/A ILE 569.A N LEU 527.A O no hydrogen 3.057 N/A VAL 571.A N THR 525.A O no hydrogen 3.119 N/A ARG 572.A N GLN 575.A OE1 no hydrogen 2.869 N/A GLU 573.A N ASN 524.A OD1 no hydrogen 2.506 N/A GLY 574.A N VAL 521.A O no hydrogen 2.905 N/A GLN 575.A N ARG 572.A O no hydrogen 3.160 N/A ILE 577.A N PHE 519.A O no hydrogen 2.905 N/A CYS 578.A N ALA 598.A O no hydrogen 3.152 N/A CYS 578.A SG LEU 517.A O no hydrogen 3.709 N/A CYS 578.A SG THR 597.A OG1 no hydrogen 3.147 N/A VAL 579.A N LEU 517.A O no hydrogen 2.951 N/A ARG 580.A N ALA 595.A O no hydrogen 2.801 N/A ARG 580.A NE THR 597.A OG1 no hydrogen 3.196 N/A ARG 580.A NH1 TYR 514.A OH no hydrogen 3.249 N/A PHE 581.A N CYS 515.A O no hydrogen 2.979 N/A TRP 582.A N GLU 593.A O no hydrogen 2.711 N/A ARG 583.A N ARG 513.A O no hydrogen 2.829 N/A ARG 583.A NE ASP 421.A OD2 no hydrogen 2.558 N/A ARG 583.A NH1 GLU 427.A OE2 no hydrogen 2.784 N/A ARG 583.A NH1 ASN 511.A O no hydrogen 3.155 N/A ARG 583.A NH2 ASP 421.A O no hydrogen 3.418 N/A ARG 583.A NH2 GLU 427.A OE1 no hydrogen 3.199 N/A ARG 583.A NH2 GLU 427.A OE2 no hydrogen 3.332 N/A CYS 584.A N TRP 591.A O no hydrogen 2.844 N/A SER 585.A OG ASN 512.A OD1 no hydrogen 2.836 N/A ASN 586.A N LYS 589.A O no hydrogen 2.880 N/A LYS 588.A N ASN 586.A OD1 no hydrogen 2.919 N/A LYS 589.A N ASN 586.A OD1 no hydrogen 2.570 N/A VAL 590.A N ILE 614.A O no hydrogen 2.971 N/A TRP 591.A N CYS 584.A O no hydrogen 2.868 N/A TRP 591.A NE1 GLU 593.A OE2 no hydrogen 2.869 N/A TYR 592.A OH ASP 421.A OD2 no hydrogen 2.723 N/A GLU 593.A N TRP 582.A O no hydrogen 3.013 N/A TRP 594.A NE1 PRO 564.A O no hydrogen 2.818 N/A ALA 595.A N ARG 580.A O no hydrogen 2.963 N/A VAL 596.A N SER 602.A OG no hydrogen 2.947 N/A THR 597.A N CYS 578.A O no hydrogen 2.885 N/A THR 597.A OG1 CYS 578.A O no hydrogen 3.366 N/A CYS 601.A SG VAL 596.A O no hydrogen 3.859 N/A CYS 601.A SG THR 597.A O no hydrogen 3.926 N/A SER 602.A N VAL 596.A O no hydrogen 2.918 N/A SER 602.A OG ALA 603.A O no hydrogen 3.253 N/A HIS 605.A N TRP 594.A O no hydrogen 2.862 N/A HIS 605.A ND1 ALA 603.A O no hydrogen 2.684 N/A ASN 606.A ND2 TYR 592.A O no hydrogen 2.937 N/A ASN 606.A ND2 TYR 612.A O no hydrogen 2.793 N/A THR 608.A N GLU 593.A OE2 no hydrogen 2.962 N/A GLY 609.A N ASN 606.A O no hydrogen 3.206 N/A ARG 610.A N PRO 607.A O no hydrogen 3.095 N/A ARG 610.A NE GLU 478.A OE1 no hydrogen 3.011 N/A ARG 610.A NE GLU 478.A OE2 no hydrogen 3.343 N/A ARG 610.A NH2 GLU 478.A OE2 no hydrogen 2.592 N/A SER 611.A N ASN 606.A OD1 no hydrogen 2.855 N/A SER 611.A OG GLU 478.A OE1 no hydrogen 2.806 N/A TYR 612.A N ASN 606.A OD1 no hydrogen 2.861 N/A ILE 614.A N VAL 590.A O no hydrogen 2.581 N/A GLY 615.A N GLN 292.A OE1 no hydrogen 2.900 N/A LEU 616.A N LYS 588.A O no hydrogen 3.112 N/A