Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4erm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLU 12.A O no hydrogen 2.853 N/A THR 5.A N ILE 50.A O no hydrogen 2.683 N/A LYS 6.A N SER 10.A O no hydrogen 2.668 N/A ARG 7.A NH2 HIS 85.A ND1 no hydrogen 2.713 N/A GLY 9.A N LYS 6.A O no hydrogen 2.808 N/A THR 11.A OG1 VAL 4.A O no hydrogen 3.089 N/A GLU 12.A N VAL 4.A O no hydrogen 3.196 N/A ILE 14.A N LEU 2.A O no hydrogen 2.884 N/A ILE 19.A N LEU 16.A O no hydrogen 2.786 N/A HIS 20.A N LEU 16.A O no hydrogen 3.130 N/A ARG 21.A N ASP 17.A O no hydrogen 2.711 N/A VAL 22.A N LYS 18.A O no hydrogen 3.504 N/A LEU 23.A N ILE 19.A O no hydrogen 3.015 N/A ASP 24.A N HIS 20.A O no hydrogen 2.877 N/A TRP 25.A N ARG 21.A O no hydrogen 3.069 N/A TRP 25.A N VAL 22.A O no hydrogen 2.900 N/A ALA 26.A N VAL 22.A O no hydrogen 3.305 N/A ALA 27.A N LEU 23.A O no hydrogen 3.130 N/A GLU 28.A N TRP 25.A O no hydrogen 2.700 N/A LEU 30.A N ALA 27.A O no hydrogen 3.123 N/A SER 34.A N TYR 74.A OH no hydrogen 3.112 N/A SER 34.A OG SER 36.A OG no hydrogen 3.382 N/A SER 36.A OG SER 34.A OG no hydrogen 3.382 N/A GLN 37.A N SER 34.A OG no hydrogen 3.020 N/A GLU 39.A N ILE 35.A O no hydrogen 3.461 N/A LEU 40.A N SER 36.A O no hydrogen 3.101 N/A ARG 41.A N GLN 37.A O no hydrogen 2.742 N/A SER 42.A N VAL 38.A O no hydrogen 2.893 N/A HIS 43.A N LEU 40.A O no hydrogen 2.974 N/A GLN 45.A NE2 PHE 46.A O no hydrogen 3.261 N/A THR 52.A N THR 5.A O no hydrogen 2.640 N/A ASP 54.A N LYS 51.A O no hydrogen 3.076 N/A ILE 55.A N LYS 51.A O no hydrogen 3.337 N/A HIS 56.A N THR 52.A O no hydrogen 3.206 N/A HIS 56.A NE2 LEU 81.A O no hydrogen 3.123 N/A GLU 57.A N SER 53.A O no hydrogen 3.085 N/A THR 58.A N ASP 54.A O no hydrogen 2.985 N/A THR 58.A OG1 ASP 54.A O no hydrogen 2.508 N/A ILE 59.A N ILE 55.A O no hydrogen 3.321 N/A ILE 60.A N HIS 56.A O no hydrogen 3.253 N/A LYS 61.A N GLU 57.A O no hydrogen 3.431 N/A ALA 62.A N THR 58.A O no hydrogen 3.235 N/A ALA 62.A N ILE 59.A O no hydrogen 3.178 N/A ALA 63.A N ILE 59.A O no hydrogen 3.089 N/A ASP 65.A N ALA 62.A O no hydrogen 2.931 N/A LEU 66.A N ALA 62.A O no hydrogen 3.382 N/A ILE 67.A N ALA 64.A O no hydrogen 3.450 N/A SER 68.A OG LEU 66.A O no hydrogen 3.267 N/A ARG 69.A NE TYR 656.A OH no hydrogen 3.553 N/A ARG 69.A NH2 TYR 656.A OH no hydrogen 3.519 N/A GLN 75.A N PRO 72.A O no hydrogen 2.817 N/A GLN 75.A NE2 ASN 627.A OD1 no hydrogen 3.544 N/A TYR 76.A N ASP 73.A O no hydrogen 2.676 N/A LEU 77.A N ASP 73.A O no hydrogen 3.324 N/A ALA 78.A N TYR 74.A O no hydrogen 2.864 N/A ARG 80.A N TYR 76.A O no hydrogen 2.965 N/A ARG 80.A NH1 ALA 26.A O no hydrogen 2.981 N/A ARG 80.A NH1 GLU 28.A O no hydrogen 2.791 N/A LEU 81.A N LEU 77.A O no hydrogen 3.078 N/A ALA 82.A N ALA 78.A O no hydrogen 2.791 N/A ILE 83.A N ALA 79.A O no hydrogen 3.038 N/A PHE 84.A N ARG 80.A O no hydrogen 3.253 N/A HIS 85.A N LEU 81.A O no hydrogen 3.048 N/A HIS 85.A NE2 GLU 57.A OE1 no hydrogen 3.077 N/A LEU 86.A N ALA 82.A O no hydrogen 2.817 N/A ARG 87.A N ILE 83.A O no hydrogen 2.880 N/A LYS 88.A N HIS 85.A O no hydrogen 3.280 N/A LYS 89.A NZ GLU 57.A OE1 no hydrogen 3.464 N/A ALA 90.A N LEU 86.A O no hydrogen 3.015 N/A TYR 91.A N ARG 87.A O no hydrogen 3.008 N/A LEU 99.A N ASP 129.A OD2 no hydrogen 2.828 N/A HIS 102.A N ALA 98.A O no hydrogen 2.870 N/A HIS 102.A NE2 TYR 112.A OH no hydrogen 2.976 N/A VAL 103.A N LEU 99.A O no hydrogen 3.216 N/A VAL 104.A N TYR 100.A O no hydrogen 3.117 N/A LYS 105.A N ASP 101.A O no hydrogen 3.023 N/A MET 106.A N HIS 102.A O no hydrogen 3.283 N/A VAL 107.A N VAL 103.A O no hydrogen 2.902 N/A GLU 108.A N VAL 104.A O no hydrogen 3.161 N/A MET 109.A N LYS 105.A O no hydrogen 3.093 N/A MET 109.A N MET 106.A O no hydrogen 2.722 N/A GLY 110.A N VAL 107.A O no hydrogen 3.084 N/A LYS 111.A N MET 106.A O no hydrogen 3.057 N/A TYR 112.A OH HIS 102.A NE2 no hydrogen 2.976 N/A TYR 112.A OH GLU 164.A OE1 no hydrogen 2.717 N/A HIS 115.A N ASP 113.A OD1 no hydrogen 2.685 N/A HIS 115.A NE2 TYR 492.A OH no hydrogen 2.850 N/A LEU 116.A N ASP 113.A O no hydrogen 3.311 N/A LEU 117.A N ASN 114.A O no hydrogen 3.358 N/A GLU 118.A N HIS 115.A O no hydrogen 2.838 N/A ASP 119.A N HIS 115.A O no hydrogen 2.772 N/A TYR 120.A N LEU 116.A O no hydrogen 3.227 N/A TYR 120.A OH ALA 175.A O no hydrogen 2.599 N/A THR 121.A N GLU 124.A OE1 no hydrogen 2.847 N/A THR 121.A OG1 GLU 124.A OE1 no hydrogen 3.260 N/A GLU 124.A N THR 121.A O no hydrogen 2.889 N/A PHE 125.A N THR 121.A O no hydrogen 3.038 N/A LYS 126.A N GLU 122.A O no hydrogen 3.324 N/A GLN 127.A N GLU 124.A O no hydrogen 2.692 N/A MET 128.A N GLU 124.A O no hydrogen 2.895 N/A MET 128.A N PHE 125.A O no hydrogen 3.121 N/A ASP 129.A N PHE 125.A O no hydrogen 2.947 N/A THR 130.A OG1 GLN 127.A O no hydrogen 2.629 N/A PHE 131.A N MET 128.A O no hydrogen 3.066 N/A ILE 132.A N MET 128.A O no hydrogen 3.436 N/A ASP 133.A N TYR 194.A OH no hydrogen 3.139 N/A ARG 136.A N ASP 133.A O no hydrogen 2.774 N/A ARG 136.A NH1 ASP 195.A OD1 no hydrogen 2.816 N/A ARG 136.A NH2 ASP 195.A OD1 no hydrogen 2.874 N/A ASP 137.A N HIS 134.A O no hydrogen 3.211 N/A THR 139.A N ARG 136.A O no hydrogen 3.281 N/A THR 139.A OG1 ARG 136.A O no hydrogen 2.567 N/A TYR 142.A N GLN 75.A O no hydrogen 2.836 N/A ALA 144.A N SER 141.A OG no hydrogen 3.329 N/A VAL 145.A N SER 141.A O no hydrogen 2.686 N/A LYS 146.A N TYR 142.A O no hydrogen 2.862 N/A LEU 148.A N ALA 144.A O no hydrogen 3.138 N/A GLU 149.A N VAL 145.A O no hydrogen 2.959 N/A GLY 150.A N LYS 146.A O no hydrogen 3.109 N/A LYS 151.A N GLN 147.A O no hydrogen 2.956 N/A TYR 152.A N GLN 147.A O no hydrogen 3.509 N/A TYR 152.A OH THR 206.A OG1 no hydrogen 2.980 N/A LEU 153.A N LEU 148.A O no hydrogen 2.728 N/A ASN 156.A N GLU 161.A O no hydrogen 2.963 N/A ARG 157.A NH1 GLY 150.A O no hydrogen 3.160 N/A VAL 158.A N ASN 156.A OD1 no hydrogen 2.752 N/A THR 159.A N ASN 156.A OD1 no hydrogen 2.944 N/A GLU 161.A N THR 159.A OG1 no hydrogen 3.258 N/A PHE 168.A N SER 165.A OG no hydrogen 3.422 N/A LEU 169.A N ALA 166.A O no hydrogen 3.155 N/A TYR 170.A N ALA 166.A O no hydrogen 3.501 N/A ILE 171.A N GLN 167.A O no hydrogen 3.041 N/A LEU 172.A N PHE 168.A O no hydrogen 3.260 N/A VAL 173.A N LEU 169.A O no hydrogen 2.875 N/A ALA 174.A N TYR 170.A O no hydrogen 3.076 N/A ALA 175.A N ILE 171.A O no hydrogen 3.371 N/A CYS 176.A N LEU 172.A O no hydrogen 2.916 N/A CYS 176.A SG LEU 172.A O no hydrogen 3.327 N/A LEU 177.A N VAL 173.A O no hydrogen 3.336 N/A PHE 178.A N ALA 174.A O no hydrogen 3.173 N/A PHE 178.A N ALA 175.A O no hydrogen 3.227 N/A SER 179.A N CYS 176.A O no hydrogen 3.163 N/A SER 179.A OG CYS 176.A O no hydrogen 2.819 N/A SER 179.A OG ASN 180.A OD1 no hydrogen 3.029 N/A TYR 181.A N PHE 178.A O no hydrogen 3.228 N/A ARG 183.A NH1 GLU 124.A OE1 no hydrogen 2.903 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 3.313 N/A THR 185.A N PRO 182.A O no hydrogen 2.846 N/A ARG 186.A NH1 GLU 124.A OE2 no hydrogen 2.993 N/A ARG 186.A NH2 ASP 119.A O no hydrogen 2.672 N/A ARG 186.A NH2 GLU 124.A OE1 no hydrogen 3.134 N/A TYR 189.A N THR 185.A O no hydrogen 3.264 N/A LYS 191.A N LEU 187.A O no hydrogen 3.255 N/A LYS 191.A N GLN 188.A O no hydrogen 2.922 N/A ARG 192.A N GLN 188.A O no hydrogen 3.227 N/A PHE 193.A N TYR 189.A O no hydrogen 2.807 N/A TYR 194.A N VAL 190.A O no hydrogen 3.315 N/A ASP 195.A N LYS 191.A O no hydrogen 2.817 N/A ALA 196.A N PHE 193.A O no hydrogen 3.054 N/A VAL 197.A N PHE 193.A O no hydrogen 3.090 N/A VAL 197.A N TYR 194.A O no hydrogen 3.274 N/A SER 198.A N TYR 194.A O no hydrogen 3.011 N/A SER 198.A OG TYR 194.A O no hydrogen 2.641 N/A THR 199.A OG1 ASP 195.A O no hydrogen 2.575 N/A PHE 200.A N VAL 197.A O no hydrogen 3.459 N/A LYS 201.A NZ ALA 468.A O no hydrogen 2.592 N/A ILE 202.A N ALA 196.A O no hydrogen 2.882 N/A SER 203.A N ALA 463.A O no hydrogen 2.975 N/A THR 206.A OG1 TYR 152.A OH no hydrogen 2.980 N/A ILE 208.A N PRO 205.A O no hydrogen 3.173 N/A MET 209.A N PRO 205.A O no hydrogen 2.931 N/A SER 210.A N THR 206.A O no hydrogen 3.198 N/A SER 210.A OG THR 206.A O no hydrogen 2.886 N/A ARG 213.A NE GLU 164.A OE1 no hydrogen 2.508 N/A ARG 213.A NE GLU 164.A OE2 no hydrogen 3.312 N/A ARG 213.A NH1 MET 209.A O no hydrogen 3.457 N/A ARG 213.A NH1 VAL 212.A O no hydrogen 2.995 N/A ARG 213.A NH2 GLU 164.A OE1 no hydrogen 2.875 N/A THR 214.A N GLY 211.A O no hydrogen 2.305 N/A THR 214.A OG1 GLY 211.A O no hydrogen 2.377 N/A THR 214.A OG1 THR 216.A O no hydrogen 3.366 N/A ARG 217.A NE ASP 113.A OD2 no hydrogen 3.394 N/A ARG 217.A NH2 ASP 113.A OD2 no hydrogen 3.119 N/A GLN 218.A N THR 216.A OG1 no hydrogen 3.249 N/A SER 220.A OG GLN 493.A OE1 no hydrogen 3.249 N/A VAL 223.A N GLY 250.A O no hydrogen 2.599 N/A LEU 224.A N ALA 457.A O no hydrogen 2.961 N/A ILE 225.A N GLY 252.A O no hydrogen 3.145 N/A CYS 227.A N ASN 254.A O no hydrogen 3.174 N/A CYS 227.A SG GLY 228.A O no hydrogen 3.329 N/A GLY 228.A N SER 233.A OG no hydrogen 2.744 N/A SER 230.A N GLY 228.A O no hydrogen 2.869 N/A SER 233.A N SER 230.A OG no hydrogen 3.069 N/A SER 233.A OG LEU 446.A O no hydrogen 3.317 N/A ILE 234.A N SER 230.A O no hydrogen 2.852 N/A ASN 235.A N LEU 231.A O no hydrogen 2.980 N/A ALA 236.A N ASP 232.A O no hydrogen 3.039 N/A THR 237.A N SER 233.A O no hydrogen 2.723 N/A THR 237.A OG1 SER 233.A O no hydrogen 2.723 N/A SER 238.A N ILE 234.A O no hydrogen 2.711 N/A SER 238.A OG HIS 281.A NE2 no hydrogen 3.141 N/A SER 239.A N ASN 235.A O no hydrogen 2.850 N/A SER 239.A OG ASN 235.A O no hydrogen 3.153 N/A ALA 240.A N ALA 236.A O no hydrogen 2.950 N/A ILE 241.A N THR 237.A O no hydrogen 3.166 N/A ILE 241.A N SER 238.A O no hydrogen 3.195 N/A VAL 242.A N SER 238.A O no hydrogen 3.242 N/A LYS 243.A N SER 239.A O no hydrogen 3.213 N/A TYR 244.A N ALA 240.A O no hydrogen 3.462 N/A VAL 245.A N ILE 241.A O no hydrogen 2.826 N/A SER 246.A OG VAL 242.A O no hydrogen 3.432 N/A SER 246.A OG LYS 243.A O no hydrogen 2.609 N/A GLN 247.A N TYR 244.A O no hydrogen 2.675 N/A GLN 247.A NE2 LYS 243.A O no hydrogen 3.069 N/A ARG 248.A N VAL 245.A O no hydrogen 2.877 N/A ALA 249.A N TYR 244.A O no hydrogen 3.334 N/A GLY 250.A N SER 221.A O no hydrogen 2.713 N/A ILE 251.A N ALA 298.A O no hydrogen 2.887 N/A GLY 252.A N VAL 223.A O no hydrogen 3.034 N/A ASN 254.A ND2 TYR 362.A OH no hydrogen 3.015 N/A ILE 258.A N ALA 255.A O no hydrogen 2.639 N/A ARG 259.A N ASP 229.A OD1 no hydrogen 2.859 N/A ARG 259.A NE ASP 229.A OD2 no hydrogen 2.805 N/A ARG 259.A NH2 ASP 229.A OD2 no hydrogen 3.089 N/A ALA 260.A N SER 354.A OG no hydrogen 3.246 N/A LEU 261.A N GLU 309.A OE2 no hydrogen 2.758 N/A GLY 262.A N HIS 272.A O no hydrogen 3.523 N/A SER 263.A N ALA 260.A O no hydrogen 3.308 N/A SER 263.A OG ALA 260.A O no hydrogen 2.706 N/A ILE 265.A N ALA 270.A O no hydrogen 2.673 N/A ARG 266.A NE GLU 269.A OE2 no hydrogen 2.819 N/A HIS 272.A N SER 263.A O no hydrogen 2.769 N/A CYS 275.A N GLU 309.A OE2 no hydrogen 3.242 N/A CYS 275.A SG ILE 258.A O no hydrogen 3.903 N/A CYS 275.A SG ARG 259.A O no hydrogen 3.550 N/A CYS 275.A SG HIS 307.A NE2 no hydrogen 4.043 N/A CYS 275.A SG GLU 309.A OE2 no hydrogen 3.567 N/A PHE 278.A N CYS 275.A O no hydrogen 2.833 N/A TYR 279.A N CYS 275.A O no hydrogen 2.900 N/A LYS 280.A N ILE 276.A O no hydrogen 3.195 N/A LYS 280.A NZ GLU 323.A O no hydrogen 2.907 N/A LYS 280.A NZ ARG 326.A O no hydrogen 2.606 N/A PHE 282.A N PHE 278.A O no hydrogen 3.254 N/A GLN 283.A N TYR 279.A O no hydrogen 3.312 N/A THR 284.A N LYS 280.A O no hydrogen 3.193 N/A THR 284.A OG1 HIS 281.A O no hydrogen 2.823 N/A ALA 285.A N HIS 281.A O no hydrogen 3.338 N/A VAL 286.A N PHE 282.A O no hydrogen 3.059 N/A VAL 286.A N GLN 283.A O no hydrogen 2.726 N/A LYS 287.A N GLN 283.A O no hydrogen 2.789 N/A LYS 287.A NZ GLY 296.A O no hydrogen 2.657 N/A LYS 287.A NZ GLY 297.A O no hydrogen 3.072 N/A SER 288.A OG ALA 285.A O no hydrogen 2.649 N/A SER 290.A N LYS 287.A O no hydrogen 2.855 N/A SER 290.A OG VAL 286.A O no hydrogen 3.369 N/A SER 290.A OG ARG 295.A O no hydrogen 3.361 N/A SER 290.A OG GLY 296.A O no hydrogen 3.036 N/A GLY 293.A N GLN 291.A O no hydrogen 2.599 N/A VAL 294.A N GLN 291.A O no hydrogen 3.282 N/A THR 300.A N ILE 251.A O no hydrogen 2.941 N/A THR 300.A OG1 LEU 435.A O no hydrogen 3.051 N/A LEU 301.A N ASP 331.A O no hydrogen 2.829 N/A PHE 302.A N ILE 253.A O no hydrogen 2.844 N/A MET 305.A N GLN 335.A O no hydrogen 3.153 N/A HIS 307.A N PRO 304.A O no hydrogen 3.293 N/A GLU 309.A N HIS 307.A ND1 no hydrogen 2.743 N/A VAL 310.A N HIS 307.A O no hydrogen 3.401 N/A SER 312.A N GLU 309.A O no hydrogen 2.914 N/A LEU 313.A N VAL 310.A O no hydrogen 2.942 N/A LEU 314.A N VAL 310.A O no hydrogen 2.994 N/A LEU 316.A N LEU 313.A O no hydrogen 3.471 N/A LYS 317.A NZ ARG 328.A O no hydrogen 3.275 N/A LYS 317.A NZ MET 330.A O no hydrogen 2.937 N/A ASN 318.A N VAL 315.A O no hydrogen 3.071 N/A ARG 320.A N ASN 318.A OD1 no hydrogen 3.129 N/A ARG 320.A N ASN 319.A OD1 no hydrogen 2.317 N/A ASN 325.A N VAL 322.A O no hydrogen 2.898 N/A ASN 325.A ND2 VAL 322.A O no hydrogen 2.979 N/A ARG 326.A NE ASN 318.A O no hydrogen 3.093 N/A ARG 326.A NE ARG 320.A O no hydrogen 2.647 N/A ARG 326.A NH1 ASN 325.A O no hydrogen 2.279 N/A ARG 326.A NH2 ARG 320.A O no hydrogen 2.607 N/A VAL 327.A N LEU 316.A O no hydrogen 2.965 N/A ARG 328.A NH2 ASN 319.A O no hydrogen 3.352 N/A ASP 331.A N ALA 299.A O no hydrogen 3.133 N/A GLY 333.A N LEU 301.A O no hydrogen 3.011 N/A VAL 334.A N TYR 410.A O no hydrogen 2.859 N/A GLN 335.A N TYR 303.A O no hydrogen 2.974 N/A ILE 336.A N GLN 412.A O no hydrogen 2.772 N/A ASN 337.A ND2 GLN 369.A OE1 no hydrogen 3.428 N/A TYR 341.A N ASN 337.A O no hydrogen 3.473 N/A TYR 341.A OH ASN 413.A OD1 no hydrogen 2.698 N/A THR 342.A N LYS 338.A O no hydrogen 3.048 N/A THR 342.A OG1 LYS 338.A O no hydrogen 3.084 N/A ARG 343.A N LEU 339.A O no hydrogen 3.147 N/A ARG 343.A NH1 ASP 349.A O no hydrogen 2.982 N/A ARG 343.A NH1 GLU 380.A OE2 no hydrogen 3.492 N/A ARG 343.A NH2 GLU 380.A OE2 no hydrogen 3.384 N/A LEU 344.A N MET 340.A O no hydrogen 3.367 N/A LEU 344.A N TYR 341.A O no hydrogen 3.042 N/A LEU 345.A N TYR 341.A O no hydrogen 3.034 N/A LYS 346.A N THR 342.A O no hydrogen 3.159 N/A GLY 347.A N LEU 344.A O no hydrogen 2.825 N/A ILE 350.A N VAL 390.A O no hydrogen 2.635 N/A THR 351.A OG1 GLU 380.A OE2 no hydrogen 2.878 N/A LEU 352.A N GLN 388.A O no hydrogen 2.862 N/A VAL 358.A N SER 354.A O no hydrogen 3.166 N/A ALA 364.A N GLY 360.A O no hydrogen 2.877 N/A PHE 365.A N TYR 362.A O no hydrogen 2.981 N/A PHE 366.A N ASP 363.A O no hydrogen 3.251 N/A ALA 367.A N ASP 363.A O no hydrogen 3.181 N/A ASP 368.A N ALA 364.A O no hydrogen 3.179 N/A GLN 369.A NE2 PHE 365.A O no hydrogen 3.008 N/A GLU 371.A N ASP 368.A OD1 no hydrogen 2.570 N/A GLU 373.A N GLN 369.A O no hydrogen 3.417 N/A ARG 374.A N GLU 370.A O no hydrogen 3.120 N/A ARG 374.A N GLU 371.A O no hydrogen 3.165 N/A ARG 374.A NH2 GLU 371.A OE2 no hydrogen 3.291 N/A LEU 375.A N GLU 371.A O no hydrogen 2.883 N/A TYR 376.A N PHE 372.A O no hydrogen 2.822 N/A TYR 376.A OH THR 351.A O no hydrogen 2.650 N/A THR 377.A OG1 GLU 373.A O no hydrogen 2.864 N/A THR 377.A OG1 ARG 374.A O no hydrogen 3.075 N/A TYR 379.A N LEU 375.A O no hydrogen 2.769 N/A TYR 379.A OH PRO 359.A O no hydrogen 2.775 N/A GLU 380.A N TYR 376.A O no hydrogen 3.076 N/A LYS 381.A NZ THR 377.A O no hydrogen 3.286 N/A LYS 381.A NZ GLU 380.A OE1 no hydrogen 3.490 N/A ASP 382.A N LYS 378.A O no hydrogen 3.359 N/A SER 384.A OG ASP 382.A OD1 no hydrogen 2.583 N/A SER 384.A OG ASP 382.A OD2 no hydrogen 3.234 N/A ARG 386.A NH1 LEU 261.A O no hydrogen 3.180 N/A ARG 386.A NH2 LEU 261.A O no hydrogen 2.958 N/A LYS 387.A NZ ASP 382.A O no hydrogen 2.638 N/A LYS 387.A NZ ILE 385.A O no hydrogen 2.757 N/A ARG 389.A NH2 GLU 380.A O no hydrogen 2.775 N/A VAL 390.A N ILE 350.A O no hydrogen 3.203 N/A ALA 392.A N GLU 348.A O no hydrogen 3.147 N/A GLU 394.A N LYS 391.A O no hydrogen 2.861 N/A LEU 395.A N LYS 391.A O no hydrogen 3.031 N/A PHE 396.A N ALA 392.A O no hydrogen 3.223 N/A SER 397.A N GLU 394.A O no hydrogen 2.919 N/A SER 397.A OG VAL 393.A O no hydrogen 2.606 N/A LEU 398.A N GLU 394.A O no hydrogen 2.905 N/A MET 399.A N LEU 395.A O no hydrogen 3.166 N/A MET 400.A N PHE 396.A O no hydrogen 3.301 N/A GLN 401.A N SER 397.A O no hydrogen 2.902 N/A GLU 402.A N LEU 398.A O no hydrogen 3.318 N/A ARG 403.A N MET 399.A O no hydrogen 2.938 N/A ARG 403.A NH1 ILE 409.A O no hydrogen 2.591 N/A ARG 403.A NH1 TYR 727.A O no hydrogen 3.170 N/A ARG 403.A NH2 TYR 727.A O no hydrogen 3.365 N/A ARG 403.A NH2 TYR 728.A O no hydrogen 3.407 N/A ALA 404.A N MET 400.A O no hydrogen 2.864 N/A ALA 404.A N GLN 401.A O no hydrogen 3.089 N/A SER 405.A N GLN 401.A O no hydrogen 3.055 N/A SER 405.A OG GLN 401.A O no hydrogen 3.369 N/A SER 405.A OG GLU 402.A O no hydrogen 3.107 N/A THR 406.A N GLU 402.A O no hydrogen 3.011 N/A THR 406.A OG1 GLU 402.A O no hydrogen 2.537 N/A ARG 408.A N THR 406.A OG1 no hydrogen 3.272 N/A ARG 408.A NE ASP 331.A OD1 no hydrogen 2.770 N/A ARG 408.A NH2 ASP 331.A OD1 no hydrogen 3.538 N/A ARG 408.A NH2 ASP 331.A OD2 no hydrogen 3.097 N/A TYR 410.A N TYR 332.A O no hydrogen 2.695 N/A TYR 410.A OH ASP 331.A OD2 no hydrogen 3.378 N/A ILE 411.A N LEU 726.A O no hydrogen 3.373 N/A GLN 412.A N VAL 334.A O no hydrogen 3.043 N/A ASN 413.A N LYS 724.A O no hydrogen 2.746 N/A ASN 413.A ND2 VAL 723.A O no hydrogen 2.798 N/A ASN 413.A ND2 LYS 724.A O no hydrogen 3.128 N/A HIS 416.A N ASN 413.A O no hydrogen 3.069 N/A HIS 416.A NE2 TYR 719.A O no hydrogen 2.849 N/A CYS 417.A N ASN 413.A O no hydrogen 3.294 N/A CYS 417.A SG ASN 413.A O no hydrogen 3.291 N/A ASN 418.A N VAL 414.A O no hydrogen 3.197 N/A ASN 418.A ND2 VAL 414.A O no hydrogen 2.643 N/A ASN 418.A ND2 VAL 430.A O no hydrogen 3.064 N/A THR 419.A N ASP 415.A O no hydrogen 2.781 N/A THR 419.A OG1 ASP 415.A O no hydrogen 2.201 N/A HIS 420.A N HIS 416.A O no hydrogen 3.013 N/A HIS 420.A ND1 THR 579.A OG1 no hydrogen 2.979 N/A HIS 420.A NE2 GLN 683.A O no hydrogen 3.009 N/A ALA 426.A N ASP 424.A OD1 no hydrogen 2.638 N/A ILE 427.A N ASP 424.A OD1 no hydrogen 3.382 N/A ALA 428.A N ASP 424.A O no hydrogen 2.798 N/A VAL 430.A N ASN 418.A OD1 no hydrogen 3.115 N/A GLN 432.A NE2 ILE 253.A O no hydrogen 3.353 N/A GLN 432.A NE2 SER 433.A O no hydrogen 2.846 N/A SER 433.A OG ASN 434.A O no hydrogen 3.165 N/A ASN 434.A ND2 GLU 438.A OE2 no hydrogen 3.342 N/A LEU 437.A N ASN 434.A O no hydrogen 2.650 N/A GLU 438.A N ASN 434.A OD1 no hydrogen 3.057 N/A ALA 440.A N GLN 688.A OE1 no hydrogen 3.259 N/A THR 443.A OG1 GLU 226.A OE1 no hydrogen 2.634 N/A LYS 444.A N GLU 455.A O no hydrogen 3.139 N/A ASN 447.A ND2 ASP 451.A OD1 no hydrogen 3.002 N/A ASN 450.A N ASP 448.A OD2 no hydrogen 3.209 N/A ASP 451.A N ASP 448.A O no hydrogen 3.275 N/A GLU 455.A N LYS 444.A O no hydrogen 3.351 N/A ILE 456.A N ALA 499.A O no hydrogen 3.013 N/A SER 462.A OG LEU 461.A O no hydrogen 2.452 N/A ALA 463.A N SER 203.A O no hydrogen 3.204 N/A PHE 464.A N GLY 513.A O no hydrogen 2.964 N/A ASN 465.A N LYS 201.A O no hydrogen 3.167 N/A LEU 466.A N ILE 515.A O no hydrogen 3.305 N/A ALA 468.A N ASN 465.A O no hydrogen 2.843 N/A ASN 470.A N GLU 474.A OE2 no hydrogen 3.130 N/A ASN 470.A ND2 GLU 474.A OE2 no hydrogen 2.791 N/A GLU 474.A N ASN 471.A O no hydrogen 3.468 N/A LEU 475.A N LEU 472.A O no hydrogen 3.235 N/A GLU 476.A N ASP 473.A O no hydrogen 3.123 N/A ALA 479.A N LEU 475.A O no hydrogen 2.723 N/A LEU 481.A N GLU 477.A O no hydrogen 2.868 N/A ALA 482.A N ALA 479.A O no hydrogen 3.019 N/A VAL 483.A N ALA 479.A O no hydrogen 2.794 N/A ARG 484.A N ILE 480.A O no hydrogen 3.433 N/A ARG 484.A NH1 TYR 181.A OH no hydrogen 3.414 N/A ARG 484.A NH1 GLU 558.A OE2 no hydrogen 3.541 N/A LEU 486.A N ALA 482.A O no hydrogen 3.065 N/A ASP 487.A N VAL 483.A O no hydrogen 2.812 N/A ALA 488.A N ARG 484.A O no hydrogen 2.870 N/A LEU 489.A N ALA 485.A O no hydrogen 3.174 N/A LEU 490.A N LEU 486.A O no hydrogen 3.215 N/A LEU 490.A N ASP 487.A O no hydrogen 3.217 N/A ASP 491.A N ALA 488.A O no hydrogen 3.055 N/A TYR 492.A N ALA 488.A O no hydrogen 2.961 N/A TYR 492.A OH HIS 115.A NE2 no hydrogen 2.850 N/A GLN 493.A N LEU 489.A O no hydrogen 2.860 N/A GLN 493.A NE2 LEU 489.A O no hydrogen 3.605 N/A ASP 494.A N ARG 217.A O no hydrogen 3.407 N/A TYR 495.A OH LEU 490.A O no hydrogen 2.766 N/A LYS 501.A N ILE 497.A O no hydrogen 3.149 N/A ARG 502.A N PRO 498.A O no hydrogen 2.885 N/A GLY 503.A N ALA 499.A O no hydrogen 3.262 N/A ALA 504.A N ALA 500.A O no hydrogen 2.994 N/A MET 505.A N LYS 501.A O no hydrogen 2.839 N/A GLY 506.A N ARG 502.A O no hydrogen 2.835 N/A ARG 507.A N GLY 503.A O no hydrogen 3.404 N/A ARG 508.A NE ASP 487.A OD1 no hydrogen 3.077 N/A ARG 508.A NH1 ASP 491.A OD1 no hydrogen 3.299 N/A ARG 508.A NH2 ASP 487.A OD1 no hydrogen 2.763 N/A ARG 508.A NH2 ASP 491.A OD2 no hydrogen 2.849 N/A THR 509.A OG1 LEU 458.A O no hydrogen 3.481 N/A LEU 510.A N THR 612.A O no hydrogen 2.784 N/A GLY 511.A N THR 460.A O no hydrogen 2.804 N/A ILE 512.A N LEU 613.A O no hydrogen 3.364 N/A GLY 513.A N SER 462.A O no hydrogen 2.584 N/A ILE 515.A N PHE 464.A O no hydrogen 3.027 N/A ASN 516.A N THR 629.A O no hydrogen 2.990 N/A PHE 517.A N GLY 631.A O no hydrogen 3.359 N/A ALA 518.A N THR 629.A OG1 no hydrogen 3.330 N/A TYR 520.A N ASN 516.A O no hydrogen 3.259 N/A TYR 520.A OH THR 540.A OG1 no hydrogen 2.676 N/A LEU 521.A N PHE 517.A O no hydrogen 3.154 N/A ALA 522.A N ALA 518.A O no hydrogen 3.056 N/A LYS 523.A N TYR 519.A O no hydrogen 3.047 N/A LYS 523.A NZ LEU 466.A O no hydrogen 3.468 N/A HIS 524.A N TYR 520.A O no hydrogen 3.459 N/A HIS 524.A ND1 TYR 520.A O no hydrogen 2.893 N/A GLY 525.A N ALA 522.A O no hydrogen 3.101 N/A LYS 526.A N LEU 521.A O no hydrogen 2.682 N/A ARG 527.A NH2 ASP 661.A O no hydrogen 3.477 N/A TYR 528.A N GLU 664.A OE2 no hydrogen 2.763 N/A TYR 528.A OH ILE 632.A O no hydrogen 3.410 N/A SER 529.A OG GLU 664.A OE1 no hydrogen 2.743 N/A SER 532.A N ASP 530.A OD1 no hydrogen 2.632 N/A SER 532.A OG ASP 530.A OD1 no hydrogen 2.745 N/A ASN 534.A N GLY 531.A O no hydrogen 3.479 N/A ASN 534.A ND2 ILE 587.A O no hydrogen 2.934 N/A THR 537.A N ALA 533.A O no hydrogen 2.605 N/A THR 537.A OG1 ALA 533.A O no hydrogen 2.714 N/A HIS 538.A N ASN 534.A O no hydrogen 3.065 N/A LYS 539.A N ASN 535.A O no hydrogen 2.956 N/A THR 540.A N LEU 536.A O no hydrogen 2.811 N/A THR 540.A OG1 TYR 520.A OH no hydrogen 2.676 N/A THR 540.A OG1 LEU 536.A O no hydrogen 2.834 N/A PHE 541.A N THR 537.A O no hydrogen 3.207 N/A GLU 542.A N HIS 538.A O no hydrogen 3.040 N/A ALA 543.A N LYS 539.A O no hydrogen 3.326 N/A ALA 543.A N THR 540.A O no hydrogen 3.164 N/A ILE 544.A N THR 540.A O no hydrogen 3.150 N/A GLN 545.A N PHE 541.A O no hydrogen 2.904 N/A GLN 545.A NE2 ASP 687.A OD2 no hydrogen 2.783 N/A TYR 546.A N GLU 542.A O no hydrogen 3.089 N/A TYR 547.A N ALA 543.A O no hydrogen 2.920 N/A TYR 547.A OH ASP 473.A OD1 no hydrogen 3.054 N/A TYR 547.A OH TYR 594.A OH no hydrogen 3.337 N/A LEU 549.A N GLN 545.A O no hydrogen 3.074 N/A LYS 550.A N TYR 546.A O no hydrogen 2.860 N/A LYS 550.A NZ GLU 554.A OE1 no hydrogen 2.972 N/A ALA 551.A N LEU 548.A O no hydrogen 3.100 N/A SER 552.A N LEU 548.A O no hydrogen 2.896 N/A SER 552.A OG ASN 610.A OD1 no hydrogen 3.002 N/A GLU 554.A N LYS 550.A O no hydrogen 3.507 N/A LEU 555.A N ALA 551.A O no hydrogen 3.113 N/A ALA 556.A N SER 552.A O no hydrogen 3.194 N/A ALA 556.A N ASN 553.A O no hydrogen 3.052 N/A GLU 558.A N GLU 554.A O no hydrogen 3.449 N/A GLN 559.A N LEU 555.A O no hydrogen 2.939 N/A CYS 562.A N LEU 608.A O no hydrogen 3.064 N/A CYS 562.A SG LEU 608.A O no hydrogen 3.661 N/A CYS 562.A SG SER 611.A OG no hydrogen 3.555 N/A TRP 564.A N GLY 506.A O no hydrogen 3.100 N/A PHE 565.A N CYS 562.A O no hydrogen 3.213 N/A GLU 567.A N TRP 564.A O no hydrogen 2.879 N/A THR 568.A N PHE 565.A O no hydrogen 2.397 N/A THR 568.A OG1 PHE 565.A O no hydrogen 2.718 N/A THR 569.A N PRO 422.A O no hydrogen 2.451 N/A THR 569.A OG1 PRO 422.A O no hydrogen 2.867 N/A TYR 570.A OH ASP 687.A OD1 no hydrogen 2.430 N/A ALA 571.A N THR 568.A O no hydrogen 3.210 N/A LYS 572.A NZ ASP 424.A OD2 no hydrogen 2.520 N/A GLY 573.A N TYR 570.A O no hydrogen 3.265 N/A LEU 575.A N ASP 578.A OD2 no hydrogen 3.152 N/A ASP 578.A N LEU 575.A O no hydrogen 2.805 N/A THR 579.A OG1 HIS 420.A ND1 no hydrogen 2.979 N/A TYR 580.A OH ASP 585.A OD1 no hydrogen 3.205 N/A TYR 580.A OH ASP 585.A OD2 no hydrogen 3.264 N/A LYS 581.A NZ ASP 583.A OD1 no hydrogen 2.735 N/A LYS 581.A NZ LYS 720.A O no hydrogen 3.559 N/A LYS 582.A NZ ASP 578.A O no hydrogen 2.841 N/A LYS 582.A NZ TYR 580.A O no hydrogen 3.438 N/A LEU 584.A N LYS 581.A O no hydrogen 2.929 N/A ASP 585.A N LYS 582.A O no hydrogen 3.456 N/A THR 586.A OG1 ASP 583.A O no hydrogen 2.807 N/A ILE 587.A N LEU 584.A O no hydrogen 3.346 N/A ASN 589.A N ASN 535.A OD1 no hydrogen 3.538 N/A TYR 594.A N GLU 542.A OE2 no hydrogen 3.227 N/A TYR 594.A OH ASP 473.A OD1 no hydrogen 3.210 N/A TYR 594.A OH TYR 547.A OH no hydrogen 3.337 N/A ALA 598.A N ASP 595.A O no hydrogen 3.089 N/A ALA 598.A N ASP 595.A OD1 no hydrogen 2.802 N/A ARG 600.A N TRP 596.A O no hydrogen 2.726 N/A ARG 600.A NH1 ASP 578.A OD2 no hydrogen 3.363 N/A ARG 600.A NH2 ASP 578.A OD2 no hydrogen 2.724 N/A GLU 601.A N GLU 597.A O no hydrogen 3.421 N/A SER 602.A N ALA 598.A O no hydrogen 3.105 N/A SER 602.A OG ASN 553.A OD1 no hydrogen 2.648 N/A ILE 603.A N LEU 599.A O no hydrogen 2.776 N/A LYS 604.A N ARG 600.A O no hydrogen 2.947 N/A THR 605.A N SER 602.A O no hydrogen 3.396 N/A THR 605.A OG1 GLU 601.A O no hydrogen 2.995 N/A HIS 606.A N SER 602.A O no hydrogen 3.239 N/A ARG 609.A N SER 552.A O no hydrogen 2.994 N/A ARG 609.A NE ASP 487.A OD1 no hydrogen 3.205 N/A ARG 609.A NE ASP 487.A OD2 no hydrogen 2.923 N/A ARG 609.A NH1 GLY 560.A O no hydrogen 3.487 N/A ASN 610.A N SER 552.A OG no hydrogen 3.049 N/A ASN 610.A ND2 ASP 487.A OD1 no hydrogen 3.482 N/A ASN 610.A ND2 ARG 508.A O no hydrogen 2.706 N/A SER 611.A N ARG 507.A O no hydrogen 3.019 N/A SER 611.A OG ARG 507.A O no hydrogen 3.288 N/A THR 612.A OG1 LEU 510.A O no hydrogen 3.269 N/A SER 614.A OG PHE 685.A O no hydrogen 3.281 N/A SER 614.A OG ASP 687.A OD2 no hydrogen 3.173 N/A ALA 615.A N ILE 512.A O no hydrogen 2.794 N/A SER 619.A OG SER 623.A OG no hydrogen 3.117 N/A SER 622.A OG SER 619.A O no hydrogen 3.318 N/A SER 623.A N SER 619.A O no hydrogen 2.960 N/A SER 623.A OG SER 619.A O no hydrogen 2.595 N/A SER 623.A OG SER 619.A OG no hydrogen 3.117 N/A GLN 624.A N GLU 620.A O no hydrogen 3.044 N/A GLN 624.A NE2 GLU 620.A O no hydrogen 2.822 N/A ILE 625.A N SER 622.A O no hydrogen 3.275 N/A ASN 627.A N GLN 624.A O no hydrogen 3.219 N/A ASN 627.A ND2 VAL 652.A O no hydrogen 3.329 N/A ALA 628.A N SER 623.A O no hydrogen 3.150 N/A THR 629.A N ASN 516.A OD1 no hydrogen 3.218 N/A TYR 638.A OH HIS 660.A O no hydrogen 2.605 N/A LYS 642.A N LEU 649.A O no hydrogen 3.070 N/A SER 644.A N GLY 647.A O no hydrogen 3.005 N/A GLY 647.A N ASP 646.A OD2 no hydrogen 3.136 N/A LEU 649.A N LYS 642.A O no hydrogen 2.277 N/A ARG 650.A NH1 ASP 65.A OD1 no hydrogen 2.914 N/A GLN 651.A N SER 640.A O no hydrogen 3.087 N/A GLN 651.A NE2 ALA 628.A O no hydrogen 3.276 N/A VAL 652.A N GLN 75.A OE1 no hydrogen 2.764 N/A VAL 653.A N TYR 638.A O no hydrogen 2.974 N/A HIS 660.A N HIS 660.A ND1 no hydrogen 2.674 N/A TYR 663.A N LEU 659.A O no hydrogen 3.332 N/A TYR 663.A OH PRO 654.A O no hydrogen 2.845 N/A LEU 666.A N PRO 635.A O no hydrogen 3.056 N/A GLU 668.A N LEU 665.A O no hydrogen 2.791 N/A MET 669.A N LEU 666.A O no hydrogen 3.304 N/A ASN 672.A ND2 ASN 695.A O no hydrogen 2.962 N/A ASN 672.A ND2 ASP 714.A OD2 no hydrogen 3.435 N/A TYR 675.A OH GLU 633.A OE2 no hydrogen 2.524 N/A LEU 676.A N ASN 672.A O no hydrogen 2.869 N/A LEU 678.A N TYR 675.A O no hydrogen 2.806 N/A VAL 679.A N TYR 675.A O no hydrogen 3.254 N/A GLY 680.A N LEU 676.A O no hydrogen 3.154 N/A MET 682.A N LEU 678.A O no hydrogen 3.015 N/A GLN 683.A N VAL 679.A O no hydrogen 2.860 N/A GLN 683.A NE2 GLN 683.A O no hydrogen 3.259 N/A GLN 683.A NE2 GLN 688.A O no hydrogen 3.259 N/A LYS 684.A N ILE 681.A O no hydrogen 3.336 N/A LYS 684.A NZ HIS 538.A NE2 no hydrogen 2.965 N/A PHE 685.A N MET 682.A O no hydrogen 2.808 N/A ILE 686.A N GLN 683.A O no hydrogen 3.001 N/A ASP 687.A N SER 614.A OG no hydrogen 2.712 N/A SER 689.A N GLU 438.A O no hydrogen 2.818 N/A SER 689.A OG LEU 437.A O no hydrogen 2.827 N/A SER 689.A OG THR 725.A OG1 no hydrogen 2.478 N/A SER 691.A OG CYS 436.A O no hydrogen 2.922 N/A SER 691.A OG GLU 438.A OE1 no hydrogen 3.154 N/A ALA 692.A N ILE 690.A O no hydrogen 2.780 N/A THR 694.A N TYR 728.A O no hydrogen 3.188 N/A ASN 695.A N ASN 672.A OD1 no hydrogen 3.223 N/A TYR 696.A N ASN 730.A O no hydrogen 3.185 N/A TYR 696.A OH ASP 714.A OD2 no hydrogen 2.869 N/A SER 699.A OG ASP 697.A OD1 no hydrogen 3.327 N/A ARG 700.A N ASP 697.A O no hydrogen 2.794 N/A ARG 700.A NE TRP 667.A O no hydrogen 3.611 N/A LYS 705.A N PRO 702.A O no hydrogen 3.269 N/A GLN 710.A N PRO 707.A O no hydrogen 3.191 N/A GLN 710.A NE2 ASP 714.A OD2 no hydrogen 2.905 N/A LEU 711.A N PRO 707.A O no hydrogen 3.441 N/A LEU 712.A N MET 708.A O no hydrogen 3.143 N/A LYS 713.A N GLN 709.A O no hydrogen 3.156 N/A ASP 714.A N GLN 710.A O no hydrogen 3.033 N/A LEU 715.A N LEU 711.A O no hydrogen 3.255 N/A LEU 716.A N LEU 712.A O no hydrogen 3.010 N/A THR 717.A N LYS 713.A O no hydrogen 2.834 N/A THR 717.A OG1 LYS 713.A O no hydrogen 2.719 N/A ALA 718.A N ASP 714.A O no hydrogen 2.852 N/A TYR 719.A N LEU 715.A O no hydrogen 3.273 N/A TYR 719.A OH ASP 415.A OD2 no hydrogen 2.677 N/A LYS 720.A N LEU 716.A O no hydrogen 2.985 N/A LYS 720.A N THR 717.A O no hydrogen 3.225 N/A PHE 721.A N ALA 718.A O no hydrogen 2.936 N/A GLY 722.A N TYR 719.A O no hydrogen 3.278 N/A VAL 723.A N ALA 718.A O no hydrogen 3.105 N/A LYS 724.A NZ HIS 420.A O no hydrogen 3.533 N/A THR 725.A OG1 LEU 437.A O no hydrogen 3.005 N/A THR 725.A OG1 SER 689.A OG no hydrogen 2.478 N/A LEU 726.A N ILE 411.A O no hydrogen 2.896 N/A TYR 727.A N ALA 692.A O no hydrogen 2.659 N/A ASN 730.A ND2 ASN 695.A OD1 no hydrogen 3.224 N/A THR 731.A OG1 GLN 729.A O no hydrogen 3.291 N/A ARG 732.A N TYR 696.A O no hydrogen 3.178 N/A