Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ojx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N SER 2.A O no hydrogen 2.870 N/A MET 7.A N PHE 3.A O no hydrogen 2.768 N/A LYS 8.A N VAL 4.A O no hydrogen 2.995 N/A LYS 8.A NZ GLU 5.A OE2 no hydrogen 3.324 N/A LYS 8.A NZ GLU 61.A OE2 no hydrogen 2.481 N/A LYS 9.A N GLU 5.A O no hydrogen 3.098 N/A THR 10.A N MET 7.A O no hydrogen 3.291 N/A THR 10.A OG1 LYS 6.A O no hydrogen 3.176 N/A THR 10.A OG1 MET 7.A O no hydrogen 3.546 N/A GLY 11.A N LYS 8.A O no hydrogen 3.366 N/A ARG 12.A N MET 7.A O no hydrogen 2.830 N/A ARG 12.A NE THR 10.A O no hydrogen 2.650 N/A ARG 12.A NH1 GLY 43.A O no hydrogen 3.363 N/A ARG 12.A NH1 GLU 288.A O no hydrogen 2.894 N/A ARG 12.A NH2 THR 10.A O no hydrogen 3.052 N/A ARG 12.A NH2 GLU 288.A O no hydrogen 2.713 N/A ASN 13.A N ARG 42.A O no hydrogen 2.831 N/A ASN 13.A ND2 LYS 64.A O no hydrogen 2.769 N/A ILE 14.A N ARG 42.A O no hydrogen 3.113 N/A ILE 15.A N LEU 66.A O no hydrogen 2.874 N/A VAL 16.A N MET 44.A O no hydrogen 2.959 N/A PHE 17.A N VAL 68.A O no hydrogen 2.805 N/A TYR 18.A N ALA 46.A O no hydrogen 3.191 N/A GLY 19.A N ALA 70.A O no hydrogen 2.697 N/A SER 20.A N ASN 82.A OD1 no hydrogen 3.209 N/A GLY 23.A N SER 20.A OG no hydrogen 2.982 N/A GLU 27.A N GLY 23.A O no hydrogen 2.942 N/A PHE 28.A N THR 24.A O no hydrogen 3.010 N/A ALA 29.A N ALA 25.A O no hydrogen 2.786 N/A ASN 30.A N GLU 26.A O no hydrogen 2.845 N/A ARG 31.A N GLU 27.A O no hydrogen 2.931 N/A ARG 31.A NE GLU 27.A OE2 no hydrogen 2.899 N/A ARG 31.A NH1 GLU 147.A OE2 no hydrogen 2.714 N/A ARG 31.A NH2 GLU 27.A OE1 no hydrogen 2.911 N/A ARG 31.A NH2 GLU 147.A OE1 no hydrogen 2.831 N/A ARG 31.A NH2 GLU 147.A OE2 no hydrogen 3.105 N/A LEU 32.A N PHE 28.A O no hydrogen 2.922 N/A SER 33.A N ALA 29.A O no hydrogen 3.065 N/A LYS 34.A N ASN 30.A O no hydrogen 3.147 N/A LYS 34.A NZ GLN 178.A OE1 no hydrogen 3.319 N/A ASP 35.A N ARG 31.A O no hydrogen 3.080 N/A ALA 36.A N LEU 32.A O no hydrogen 3.399 N/A HIS 37.A N LYS 34.A O no hydrogen 3.179 N/A ARG 38.A N ASP 35.A O no hydrogen 2.746 N/A ARG 38.A NH1 ASP 35.A OD2 no hydrogen 3.003 N/A TYR 39.A N ALA 36.A O no hydrogen 3.064 N/A GLY 40.A N HIS 37.A O no hydrogen 3.198 N/A MET 41.A N ALA 36.A O no hydrogen 2.921 N/A ARG 42.A N ASN 13.A OD1 no hydrogen 3.106 N/A ARG 42.A NH1 ASP 286.A OD1 no hydrogen 2.987 N/A MET 44.A N ILE 14.A O no hydrogen 3.036 N/A SER 45.A OG ASN 30.A OD1 no hydrogen 2.795 N/A ALA 46.A N VAL 16.A O no hydrogen 2.935 N/A GLU 49.A N ASP 47.A OD1 no hydrogen 3.207 N/A GLU 50.A N ASP 47.A O no hydrogen 3.007 N/A TYR 51.A N PRO 48.A O no hydrogen 3.157 N/A ASP 55.A N ASP 52.A O no hydrogen 3.032 N/A LEU 56.A N LEU 53.A O no hydrogen 2.900 N/A SER 57.A N ALA 54.A O no hydrogen 3.407 N/A SER 58.A N ASP 55.A O no hydrogen 2.824 N/A LEU 59.A N LEU 56.A O no hydrogen 2.915 N/A GLU 61.A N SER 58.A O no hydrogen 3.116 N/A ILE 62.A N LEU 59.A O no hydrogen 2.986 N/A SER 65.A OG LEU 59.A O no hydrogen 3.174 N/A SER 65.A OG ILE 62.A O no hydrogen 2.950 N/A LEU 66.A N ASN 13.A O no hydrogen 2.743 N/A VAL 67.A N LYS 101.A O no hydrogen 3.018 N/A VAL 68.A N ILE 15.A O no hydrogen 2.655 N/A PHE 69.A N ALA 103.A O no hydrogen 2.971 N/A ALA 70.A N PHE 17.A O no hydrogen 2.948 N/A MET 71.A N PHE 105.A O no hydrogen 3.104 N/A ALA 72.A N GLY 19.A O no hydrogen 2.699 N/A THR 73.A N LEU 107.A O no hydrogen 3.125 N/A TYR 74.A N ASP 78.A O no hydrogen 2.787 N/A GLY 77.A N TYR 74.A O no hydrogen 2.699 N/A ASP 78.A N GLY 75.A O no hydrogen 3.070 N/A THR 80.A OG1 ASN 82.A OD1 no hydrogen 2.716 N/A CYS 81.A N GLN 21.A OE1 no hydrogen 3.254 N/A CYS 81.A SG GLN 84.A OE1 no hydrogen 3.744 N/A ASN 82.A ND2 TYR 18.A O no hydrogen 2.787 N/A ASN 82.A ND2 ASP 47.A OD1 no hydrogen 2.806 N/A ALA 83.A N THR 80.A O no hydrogen 3.216 N/A GLN 84.A N CYS 81.A O no hydrogen 3.390 N/A TYR 87.A N ALA 83.A O no hydrogen 2.751 N/A ASP 88.A N GLN 84.A O no hydrogen 2.617 N/A TRP 89.A N ASP 85.A O no hydrogen 2.874 N/A LEU 90.A N PHE 86.A O no hydrogen 2.847 N/A GLN 91.A N TYR 87.A O no hydrogen 3.363 N/A GLN 91.A N ASP 88.A O no hydrogen 2.986 N/A GLU 92.A N ASP 88.A O no hydrogen 3.136 N/A GLU 92.A N TRP 89.A O no hydrogen 2.985 N/A THR 93.A N TRP 89.A O no hydrogen 2.936 N/A VAL 95.A N THR 93.A OG1 no hydrogen 3.125 N/A LEU 97.A N LEU 129.A O no hydrogen 2.613 N/A THR 98.A OG1 ASP 96.A OD1 no hydrogen 2.673 N/A THR 98.A OG1 ASP 96.A OD2 no hydrogen 3.260 N/A VAL 100.A N LEU 97.A O no hydrogen 2.949 N/A LYS 101.A NZ GLN 132.A OE1 no hydrogen 3.275 N/A PHE 102.A N GLN 132.A O no hydrogen 3.104 N/A ALA 103.A N VAL 67.A O no hydrogen 3.327 N/A PHE 105.A N PHE 69.A O no hydrogen 2.886 N/A GLY 106.A N GLY 138.A O no hydrogen 2.929 N/A LEU 107.A N MET 71.A O no hydrogen 2.790 N/A GLY 108.A N GLY 140.A O no hydrogen 3.108 N/A LYS 110.A N ASP 141.A OD1 no hydrogen 2.635 N/A THR 111.A N ASN 109.A OD1 no hydrogen 2.801 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.545 N/A TYR 112.A N ASN 109.A O no hydrogen 3.017 N/A TYR 112.A OH SER 607.A OXT no hydrogen 2.630 N/A ALA 117.A N HIS 114.A O no hydrogen 3.345 N/A MET 118.A N THR 73.A OG1 no hydrogen 2.965 N/A LYS 120.A N ASN 116.A O no hydrogen 2.998 N/A LYS 120.A NZ PHE 115.A O no hydrogen 3.253 N/A TYR 121.A N ALA 117.A O no hydrogen 2.942 N/A VAL 122.A N MET 118.A O no hydrogen 3.122 N/A ASP 123.A N GLY 119.A O no hydrogen 3.121 N/A GLN 124.A N LYS 120.A O no hydrogen 2.962 N/A ARG 125.A N TYR 121.A O no hydrogen 2.704 N/A ARG 125.A NE LEU 90.A O no hydrogen 2.872 N/A ARG 125.A NH1 GLN 128.A OE1 no hydrogen 2.689 N/A ARG 125.A NH2 LEU 90.A O no hydrogen 3.390 N/A LEU 126.A N VAL 122.A O no hydrogen 2.963 N/A GLU 127.A N GLN 124.A O no hydrogen 3.268 N/A GLN 128.A N GLN 124.A O no hydrogen 3.353 N/A GLN 128.A N ARG 125.A O no hydrogen 2.968 N/A LEU 129.A N ARG 125.A O no hydrogen 3.253 N/A GLY 130.A N GLU 127.A O no hydrogen 3.216 N/A ALA 131.A N LEU 126.A O no hydrogen 3.097 N/A GLN 132.A N VAL 100.A O no hydrogen 2.688 N/A ARG 133.A NE ASP 123.A OD2 no hydrogen 2.721 N/A ARG 133.A NH2 ASP 123.A OD1 no hydrogen 2.717 N/A ARG 133.A NH2 ASP 123.A OD2 no hydrogen 3.106 N/A ARG 133.A NH2 GLU 127.A OE2 no hydrogen 3.096 N/A ILE 134.A N PHE 102.A O no hydrogen 3.122 N/A GLY 138.A N VAL 104.A O no hydrogen 2.803 N/A GLY 140.A N GLY 106.A O no hydrogen 2.970 N/A ASP 141.A N ASP 149.A OD2 no hydrogen 3.046 N/A ASP 142.A N GLY 108.A O no hydrogen 2.786 N/A ASP 143.A N ASP 141.A OD1 no hydrogen 3.189 N/A GLY 144.A N ASP 141.A O no hydrogen 3.028 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 3.123 N/A ASP 149.A N ASN 145.A O no hydrogen 3.048 N/A PHE 150.A N LEU 146.A O no hydrogen 2.926 N/A ILE 151.A N GLU 147.A O no hydrogen 2.957 N/A THR 152.A N GLU 148.A O no hydrogen 3.066 N/A TRP 153.A N ASP 149.A O no hydrogen 3.114 N/A TRP 153.A N PHE 150.A O no hydrogen 3.189 N/A TRP 153.A NE1 GLU 136.A O no hydrogen 3.043 N/A ARG 154.A N PHE 150.A O no hydrogen 2.798 N/A ARG 154.A NE ASP 35.A OD1 no hydrogen 2.674 N/A ARG 154.A NH2 ASP 35.A OD1 no hydrogen 3.365 N/A ARG 154.A NH2 ASP 35.A OD2 no hydrogen 2.881 N/A GLU 155.A N ILE 151.A O no hydrogen 2.918 N/A GLN 156.A N TRP 153.A O no hydrogen 2.928 N/A PHE 157.A N TRP 153.A O no hydrogen 2.845 N/A TRP 158.A N ARG 154.A O no hydrogen 3.142 N/A TRP 158.A NE1 ASP 35.A OD1 no hydrogen 2.923 N/A ALA 160.A N GLN 156.A O no hydrogen 3.113 N/A VAL 161.A N PHE 157.A O no hydrogen 2.966 N/A ALA 162.A N TRP 158.A O no hydrogen 2.821 N/A GLU 163.A N PRO 159.A O no hydrogen 2.975 N/A PHE 164.A N ALA 160.A O no hydrogen 3.124 N/A PHE 164.A N VAL 161.A O no hydrogen 3.003 N/A PHE 165.A N VAL 161.A O no hydrogen 3.081 N/A VAL 167.A N ALA 162.A O no hydrogen 3.119 N/A THR 170.A N ARG 38.A O no hydrogen 2.811 N/A SER 175.A OG ARG 177.A O no hydrogen 3.321 N/A ARG 177.A N SER 175.A O no hydrogen 2.581 N/A ARG 177.A NE GLU 380.A OE2 no hydrogen 2.821 N/A ARG 177.A NH1 ASP 376.A OD2 no hydrogen 3.430 N/A ARG 177.A NH2 ASP 376.A OD2 no hydrogen 3.020 N/A GLN 178.A N GLU 380.A OE1 no hydrogen 2.695 N/A GLU 180.A N ASN 283.A O no hydrogen 2.698 N/A VAL 182.A N SER 281.A O no hydrogen 2.953 N/A HIS 184.A N ILE 279.A O no hydrogen 3.171 N/A LYS 191.A N ASP 188.A O no hydrogen 2.407 N/A TYR 193.A N PRO 298.A O no hydrogen 2.919 N/A TYR 193.A OH GLY 198.A O no hydrogen 3.257 N/A THR 194.A N GLU 196.A OE1 no hydrogen 2.872 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.772 N/A LYS 201.A N GLU 196.A OE2 no hydrogen 2.986 N/A SER 202.A N ARG 199.A O no hydrogen 2.973 N/A SER 202.A OG ARG 199.A O no hydrogen 2.600 N/A GLU 204.A N LYS 201.A O no hydrogen 2.736 N/A ASN 205.A N LYS 201.A O no hydrogen 2.899 N/A GLN 206.A NE2 SER 202.A O no hydrogen 3.195 N/A GLN 206.A NE2 TYR 203.A O no hydrogen 3.435 N/A GLN 206.A NE2 PRO 215.A O no hydrogen 3.453 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 2.958 N/A LYS 213.A NZ GLU 50.A OE2 no hydrogen 2.589 N/A ASN 214.A N ASP 211.A O no hydrogen 3.126 N/A ASN 214.A N ASP 211.A OD1 no hydrogen 3.053 N/A PHE 216.A N MET 440.A O no hydrogen 2.860 N/A LEU 217.A N GLN 206.A OE1 no hydrogen 2.614 N/A ALA 218.A N VAL 438.A O no hydrogen 3.022 N/A VAL 220.A N ALA 436.A O no hydrogen 2.897 N/A THR 221.A N GLU 238.A O no hydrogen 2.925 N/A THR 221.A OG1 GLU 238.A O no hydrogen 3.177 N/A ASN 223.A ND2 LEU 428.A O no hydrogen 2.985 N/A ASN 223.A ND2 LYS 431.A O no hydrogen 2.891 N/A ARG 224.A N HIS 236.A O no hydrogen 3.081 N/A ARG 224.A NH2 GLU 507.A OE2 no hydrogen 3.528 N/A LYS 225.A NZ ASN 227.A OD1 no hydrogen 3.401 N/A LYS 225.A NZ GLY 229.A O no hydrogen 3.241 N/A LEU 226.A N LEU 234.A O no hydrogen 2.883 N/A ASN 227.A ND2 ARG 232.A O no hydrogen 2.614 N/A GLY 229.A N GLU 500.A O no hydrogen 2.970 N/A ARG 232.A NH1 ASP 501.A OD2 no hydrogen 2.774 N/A LEU 234.A N ASN 227.A OD1 no hydrogen 2.899 N/A MET 235.A N ALA 407.A O no hydrogen 2.821 N/A HIS 236.A N ARG 224.A O no hydrogen 3.028 N/A LEU 237.A N ILE 405.A O no hydrogen 2.964 N/A GLU 238.A N ALA 222.A O no hydrogen 3.003 N/A LEU 239.A N VAL 403.A O no hydrogen 2.949 N/A ASP 240.A N ALA 219.A O no hydrogen 2.930 N/A ILE 241.A N ASN 401.A O no hydrogen 3.111 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.616 N/A SER 242.A OG ASP 240.A OD2 no hydrogen 3.151 N/A SER 244.A N ILE 241.A O no hydrogen 3.118 N/A SER 244.A OG ILE 241.A O no hydrogen 2.556 N/A ILE 246.A N SER 244.A OG no hydrogen 3.127 N/A TYR 248.A OH HIS 399.A O no hydrogen 2.720 N/A TYR 248.A OH SER 402.A O no hydrogen 2.934 N/A GLU 249.A N ASP 252.A OD2 no hydrogen 2.795 N/A SER 250.A OG SER 394.A O no hydrogen 3.443 N/A ASP 252.A N GLU 249.A O no hydrogen 3.141 N/A HIS 253.A N CYS 443.A O no hydrogen 3.020 N/A HIS 253.A NE2 ASP 604.A OD2 no hydrogen 3.150 N/A VAL 254.A N TYR 390.A O no hydrogen 2.835 N/A ALA 255.A N PHE 441.A O no hydrogen 3.015 N/A VAL 256.A N ARG 388.A O no hydrogen 3.023 N/A TYR 257.A N PRO 439.A O no hydrogen 3.174 N/A TYR 257.A OH ALA 212.A O no hydrogen 2.624 N/A ASN 260.A N THR 306.A O no hydrogen 2.942 N/A ASN 260.A ND2 LEU 305.A O no hydrogen 2.863 N/A ASN 260.A ND2 LEU 309.A O no hydrogen 2.978 N/A ALA 263.A N ASP 261.A OD1 no hydrogen 2.541 N/A LEU 264.A N ASP 261.A O no hydrogen 2.802 N/A LEU 264.A N ASP 261.A OD1 no hydrogen 3.246 N/A VAL 265.A N ASP 261.A O no hydrogen 3.160 N/A ASN 266.A N SER 262.A O no hydrogen 3.036 N/A GLN 267.A N ALA 263.A O no hydrogen 3.245 N/A ILE 268.A N LEU 264.A O no hydrogen 3.177 N/A GLY 269.A N VAL 265.A O no hydrogen 3.087 N/A GLU 270.A N ASN 266.A O no hydrogen 2.917 N/A ILE 271.A N GLN 267.A O no hydrogen 2.867 N/A LEU 272.A N ILE 268.A O no hydrogen 3.036 N/A GLY 273.A N GLU 270.A O no hydrogen 2.765 N/A ALA 274.A N GLY 269.A O no hydrogen 2.837 N/A ASP 277.A N ASP 275.A OD2 no hydrogen 3.421 N/A VAL 278.A N ASP 275.A O no hydrogen 2.933 N/A MET 280.A N THR 299.A O no hydrogen 2.884 N/A SER 281.A N VAL 182.A O no hydrogen 2.967 N/A SER 281.A OG ASN 283.A OD1 no hydrogen 3.236 N/A SER 281.A OG THR 297.A OG1 no hydrogen 3.293 N/A ASN 283.A N GLU 180.A O no hydrogen 2.884 N/A ASN 284.A N LYS 292.A O no hydrogen 3.023 N/A LEU 285.A N GLN 178.A O no hydrogen 3.135 N/A GLU 288.A N ASP 286.A OD2 no hydrogen 2.755 N/A SER 289.A N ASP 286.A O no hydrogen 3.201 N/A SER 289.A OG ASN 284.A OD1 no hydrogen 2.918 N/A LYS 291.A N SER 289.A OG no hydrogen 2.949 N/A LYS 292.A NZ SER 289.A O no hydrogen 3.295 N/A THR 297.A OG1 SER 281.A OG no hydrogen 3.293 N/A THR 299.A N MET 280.A O no hydrogen 2.855 N/A THR 299.A OG1 TYR 193.A O no hydrogen 3.093 N/A THR 299.A OG1 THR 300.A O no hydrogen 3.417 N/A THR 300.A OG1 THR 303.A OG1 no hydrogen 3.052 N/A ARG 302.A N LEU 276.A O no hydrogen 2.830 N/A ARG 302.A NE ASP 277.A OD2 no hydrogen 2.770 N/A THR 303.A N THR 300.A OG1 no hydrogen 2.961 N/A THR 303.A OG1 THR 300.A OG1 no hydrogen 3.052 N/A ALA 304.A N THR 300.A O no hydrogen 3.354 N/A LEU 305.A N TYR 301.A O no hydrogen 3.022 N/A THR 306.A N ARG 302.A O no hydrogen 2.866 N/A THR 306.A N THR 303.A O no hydrogen 3.135 N/A THR 306.A OG1 ARG 302.A O no hydrogen 2.597 N/A TYR 307.A N THR 303.A O no hydrogen 2.757 N/A TYR 308.A N ALA 304.A O no hydrogen 2.786 N/A TYR 308.A OH GLU 196.A O no hydrogen 2.713 N/A ASP 310.A N PRO 383.A O no hydrogen 2.764 N/A THR 312.A N ASP 310.A OD2 no hydrogen 3.202 N/A ASN 313.A N ASP 310.A OD2 no hydrogen 2.946 N/A ASN 313.A ND2 ASP 310.A OD1 no hydrogen 2.677 N/A ARG 316.A NH2 GLU 147.A OE1 no hydrogen 3.386 N/A LEU 320.A N ARG 316.A O no hydrogen 3.263 N/A TYR 321.A N THR 317.A O no hydrogen 2.979 N/A GLU 322.A N ASN 318.A O no hydrogen 3.022 N/A LEU 323.A N VAL 319.A O no hydrogen 2.877 N/A ALA 324.A N LEU 320.A O no hydrogen 3.063 N/A GLN 325.A N GLU 322.A O no hydrogen 3.245 N/A TYR 326.A N LEU 323.A O no hydrogen 2.738 N/A TYR 326.A OH HIS 377.A ND1 no hydrogen 2.589 N/A ALA 327.A N ALA 324.A O no hydrogen 3.157 N/A SER 328.A N SER 370.A O no hydrogen 3.154 N/A SER 328.A OG SER 370.A O no hydrogen 3.537 N/A GLU 329.A N SER 370.A OG no hydrogen 3.055 N/A SER 331.A N GLU 329.A OE2 no hydrogen 3.333 N/A SER 331.A OG GLU 329.A OE2 no hydrogen 2.675 N/A GLU 332.A N GLU 329.A O no hydrogen 2.974 N/A GLN 333.A N GLU 329.A O no hydrogen 3.095 N/A GLU 334.A N PRO 330.A O no hydrogen 2.845 N/A HIS 335.A N SER 331.A O no hydrogen 3.134 N/A HIS 335.A ND1 TYR 368.A OH no hydrogen 2.633 N/A LEU 336.A N GLU 332.A O no hydrogen 2.954 N/A HIS 337.A N GLN 333.A O no hydrogen 3.117 N/A HIS 337.A ND1 GLN 333.A O no hydrogen 3.000 N/A LYS 338.A N GLU 334.A O no hydrogen 3.013 N/A MET 339.A N HIS 335.A O no hydrogen 3.049 N/A ALA 340.A N HIS 337.A O no hydrogen 2.990 N/A SER 341.A N LYS 338.A O no hydrogen 3.254 N/A SER 341.A OG HIS 337.A O no hydrogen 3.286 N/A GLY 346.A N SER 343.A OG no hydrogen 3.098 N/A LYS 347.A N SER 343.A O no hydrogen 2.771 N/A LYS 347.A N GLY 344.A O no hydrogen 3.169 N/A LYS 347.A NZ SER 342.A O no hydrogen 2.966 N/A GLU 348.A N GLY 344.A O no hydrogen 3.116 N/A GLU 348.A N GLU 345.A O no hydrogen 3.300 N/A LEU 349.A N GLU 345.A O no hydrogen 3.191 N/A TYR 350.A OH PRO 315.A O no hydrogen 2.767 N/A LEU 351.A N LYS 347.A O no hydrogen 3.167 N/A SER 352.A N GLU 348.A O no hydrogen 2.796 N/A TRP 353.A N LEU 349.A O no hydrogen 2.751 N/A VAL 354.A N TYR 350.A O no hydrogen 2.924 N/A VAL 355.A N TYR 350.A O no hydrogen 3.159 N/A GLU 356.A N LEU 351.A O no hydrogen 2.840 N/A ARG 358.A N VAL 355.A O no hydrogen 3.162 N/A ARG 358.A NE TYR 412.A OH no hydrogen 3.451 N/A ARG 358.A NH1 ASN 313.A OD1 no hydrogen 2.995 N/A ARG 359.A N VAL 354.A O no hydrogen 3.052 N/A ARG 359.A NE ASP 367.A OD1 no hydrogen 2.689 N/A ARG 359.A NH1 TRP 353.A O no hydrogen 3.030 N/A ARG 359.A NH2 ASP 367.A OD1 no hydrogen 3.560 N/A ILE 364.A N HIS 360.A O no hydrogen 3.008 N/A LEU 365.A N ILE 361.A O no hydrogen 3.083 N/A GLN 366.A N LEU 362.A O no hydrogen 2.939 N/A GLN 366.A N ALA 363.A O no hydrogen 3.278 N/A ASP 367.A N ALA 363.A O no hydrogen 2.904 N/A TYR 368.A N ILE 364.A O no hydrogen 3.062 N/A TYR 368.A OH HIS 335.A ND1 no hydrogen 2.633 N/A SER 370.A N GLU 332.A OE2 no hydrogen 3.198 N/A SER 370.A OG GLU 332.A OE2 no hydrogen 2.696 N/A LEU 371.A N TYR 368.A O no hydrogen 2.981 N/A ARG 372.A N TYR 326.A O no hydrogen 3.213 N/A ARG 372.A NE PRO 369.A O no hydrogen 3.353 N/A HIS 377.A N PRO 374.A O no hydrogen 2.952 N/A HIS 377.A ND1 TYR 326.A OH no hydrogen 2.589 N/A LEU 378.A N PRO 374.A O no hydrogen 3.167 N/A LEU 379.A N ILE 375.A O no hydrogen 2.886 N/A LEU 381.A N LEU 378.A O no hydrogen 2.929 N/A LEU 382.A N LEU 378.A O no hydrogen 3.203 N/A ARG 384.A NE TYR 308.A O no hydrogen 3.118 N/A ARG 384.A NH1 PRO 294.A O no hydrogen 3.403 N/A LEU 385.A N TYR 308.A O no hydrogen 3.081 N/A GLN 386.A NE2 GLN 21.A O no hydrogen 3.335 N/A ARG 388.A N VAL 256.A O no hydrogen 2.950 N/A ARG 388.A NH2 GLN 386.A O no hydrogen 2.612 N/A TYR 390.A N VAL 254.A O no hydrogen 3.023 N/A SER 391.A OG ASP 604.A OD2 no hydrogen 3.083 N/A ILE 392.A N ASP 252.A O no hydrogen 3.028 N/A ALA 393.A N HIS 404.A O no hydrogen 2.804 N/A SER 394.A OG TYR 248.A OH no hydrogen 2.867 N/A SER 394.A OG SER 402.A O no hydrogen 3.251 N/A SER 395.A N GLN 474.A OE1 no hydrogen 2.959 N/A SER 395.A OG GLU 475.A OE1 no hydrogen 2.500 N/A SER 396.A OG TYR 248.A O no hydrogen 2.548 N/A SER 396.A OG GLU 249.A OE2 no hydrogen 3.389 N/A LYS 397.A N SER 395.A OG no hydrogen 3.149 N/A VAL 398.A N SER 395.A O no hydrogen 2.768 N/A HIS 399.A N SER 395.A O no hydrogen 2.667 N/A SER 402.A N HIS 399.A O no hydrogen 3.142 N/A SER 402.A OG HIS 404.A NE2 no hydrogen 3.201 N/A VAL 403.A N LEU 239.A O no hydrogen 2.970 N/A HIS 404.A N SER 394.A OG no hydrogen 3.363 N/A ILE 405.A N LEU 237.A O no hydrogen 2.897 N/A THR 406.A OG1 TYR 504.A OH no hydrogen 2.755 N/A ALA 407.A N MET 235.A O no hydrogen 3.066 N/A ALA 409.A N HIS 233.A O no hydrogen 2.889 N/A VAL 410.A N THR 425.A OG1 no hydrogen 3.062 N/A TYR 412.A N ASN 420.A O no hydrogen 3.208 N/A ALA 414.A N ARG 418.A O no hydrogen 3.053 N/A GLY 417.A N ALA 414.A O no hydrogen 2.902 N/A ARG 418.A NH1 GLN 366.A OE1 no hydrogen 2.710 N/A ARG 418.A NH1 ASP 367.A OD2 no hydrogen 3.530 N/A ARG 418.A NH2 SER 416.A O no hydrogen 3.350 N/A ASN 420.A N TYR 412.A O no hydrogen 2.970 N/A GLY 422.A N VAL 410.A O no hydrogen 2.959 N/A SER 426.A N GLY 422.A O no hydrogen 3.237 N/A SER 426.A OG GLY 422.A O no hydrogen 2.985 N/A TRP 427.A N VAL 423.A O no hydrogen 3.143 N/A LEU 428.A N ALA 424.A O no hydrogen 2.733 N/A ARG 429.A N THR 425.A O no hydrogen 2.815 N/A LYS 431.A N LEU 428.A O no hydrogen 3.204 N/A LYS 431.A NZ LEU 437.A O no hydrogen 2.858 N/A VAL 438.A N ALA 218.A O no hydrogen 2.817 N/A MET 440.A N PHE 216.A O no hydrogen 2.937 N/A PHE 441.A N ALA 255.A O no hydrogen 3.189 N/A CYS 443.A N HIS 253.A O no hydrogen 2.953 N/A LYS 444.A NZ ASP 252.A OD2 no hydrogen 3.311 N/A SER 445.A N ASP 252.A OD1 no hydrogen 2.963 N/A SER 445.A OG GLY 251.A O no hydrogen 2.763 N/A PHE 447.A N SER 445.A OG no hydrogen 2.925 N/A ARG 448.A NH2 ASP 252.A OD1 no hydrogen 2.697 N/A SER 453.A OG GLU 485.A O no hydrogen 2.589 N/A THR 455.A N LYS 452.A O no hydrogen 3.246 N/A THR 455.A OG1 LYS 452.A O no hydrogen 3.453 N/A VAL 457.A N GLU 488.A O no hydrogen 2.728 N/A ILE 458.A N HIS 555.A O no hydrogen 2.832 N/A MET 459.A N LEU 490.A O no hydrogen 2.905 N/A VAL 460.A N TYR 557.A O no hydrogen 2.777 N/A GLY 461.A N TYR 492.A O no hydrogen 3.062 N/A GLY 463.A N GLY 494.A O no hydrogen 2.976 N/A GLY 465.A N PRO 462.A O no hydrogen 3.162 N/A ILE 466.A N GLY 463.A O no hydrogen 3.139 N/A ALA 467.A N THR 464.A O no hydrogen 2.852 N/A PHE 469.A N ILE 466.A O no hydrogen 2.691 N/A MET 470.A N ILE 466.A O no hydrogen 3.299 N/A MET 470.A N ALA 467.A O no hydrogen 3.139 N/A PHE 472.A N PRO 468.A O no hydrogen 3.244 N/A ILE 473.A N PHE 469.A O no hydrogen 3.023 N/A GLN 474.A N MET 470.A O no hydrogen 2.989 N/A GLN 474.A NE2 ALA 393.A O no hydrogen 3.638 N/A GLU 475.A N GLY 471.A O no hydrogen 2.969 N/A ARG 476.A N PHE 472.A O no hydrogen 2.904 N/A ARG 476.A NE THR 489.A OG1 no hydrogen 3.184 N/A ARG 476.A NH1 THR 455.A O no hydrogen 3.459 N/A ARG 476.A NH2 THR 455.A O no hydrogen 3.154 N/A ARG 476.A NH2 GLU 488.A O no hydrogen 3.442 N/A ALA 477.A N ILE 473.A O no hydrogen 2.823 N/A TRP 478.A N GLN 474.A O no hydrogen 2.931 N/A LEU 479.A N GLU 475.A O no hydrogen 2.892 N/A ARG 480.A N ARG 476.A O no hydrogen 2.999 N/A ARG 480.A NH2 ASP 514.A O no hydrogen 2.737 N/A GLU 481.A N ALA 477.A O no hydrogen 3.059 N/A GLN 482.A N LEU 479.A O no hydrogen 3.225 N/A GLY 483.A N ARG 480.A O no hydrogen 2.897 N/A LYS 484.A N LEU 479.A O no hydrogen 3.078 N/A GLY 487.A N SER 453.A O no hydrogen 3.025 N/A THR 489.A N THR 518.A OG1 no hydrogen 2.895 N/A LEU 490.A N VAL 457.A O no hydrogen 2.978 N/A LEU 491.A N GLN 519.A O no hydrogen 3.187 N/A TYR 492.A N MET 459.A O no hydrogen 2.891 N/A TYR 492.A OH ASP 541.A OD1 no hydrogen 2.757 N/A TYR 493.A N ASN 521.A O no hydrogen 2.873 N/A ALA 495.A N ALA 523.A O no hydrogen 2.861 N/A ARG 496.A N ASP 501.A OD1 no hydrogen 2.977 N/A SER 498.A N GLU 527.A OE1 no hydrogen 2.624 N/A SER 498.A OG GLU 527.A OE1 no hydrogen 2.570 N/A GLU 500.A N ARG 497.A O no hydrogen 2.967 N/A ASP 501.A N ARG 497.A O no hydrogen 3.182 N/A LEU 503.A N TYR 493.A OH no hydrogen 2.785 N/A TYR 504.A OH THR 406.A OG1 no hydrogen 2.755 N/A ARG 505.A NH2 SER 498.A O no hydrogen 3.189 N/A GLU 507.A N GLU 507.A OE1 no hydrogen 2.386 N/A LEU 508.A N TYR 504.A O no hydrogen 2.894 N/A ALA 509.A N ARG 505.A O no hydrogen 2.942 N/A ARG 510.A N GLU 506.A O no hydrogen 2.871 N/A PHE 511.A N GLU 507.A O no hydrogen 3.152 N/A HIS 512.A N LEU 508.A O no hydrogen 3.140 N/A LYS 513.A N ALA 509.A O no hydrogen 2.807 N/A ASP 514.A N ARG 510.A O no hydrogen 2.965 N/A GLY 515.A N HIS 512.A O no hydrogen 2.973 N/A ALA 516.A N PHE 511.A O no hydrogen 2.763 N/A LEU 517.A N PHE 511.A O no hydrogen 2.881 N/A THR 518.A N THR 489.A O no hydrogen 2.839 N/A THR 518.A OG1 THR 489.A O no hydrogen 3.420 N/A GLN 519.A NE2 ASP 541.A OD1 no hydrogen 3.521 N/A ASN 521.A N LEU 491.A O no hydrogen 2.935 N/A ALA 523.A N TYR 493.A O no hydrogen 2.878 N/A SER 525.A N ALA 495.A O no hydrogen 2.833 N/A SER 525.A OG ALA 495.A O no hydrogen 3.332 N/A ARG 526.A N ARG 496.A O no hydrogen 2.957 N/A TYR 533.A N HIS 536.A ND1 no hydrogen 2.946 N/A HIS 536.A N TYR 533.A O no hydrogen 2.788 N/A LEU 537.A N TYR 533.A O no hydrogen 3.489 N/A LEU 538.A N VAL 534.A O no hydrogen 2.964 N/A LYS 539.A N GLN 535.A O no hydrogen 3.059 N/A ARG 540.A N HIS 536.A O no hydrogen 2.998 N/A ARG 540.A N LEU 537.A O no hydrogen 2.993 N/A ASP 541.A N LEU 537.A O no hydrogen 3.102 N/A ASP 541.A N LEU 538.A O no hydrogen 2.978 N/A ARG 542.A N LYS 539.A O no hydrogen 3.418 N/A ARG 542.A NH1 LYS 539.A O no hydrogen 2.574 N/A HIS 544.A NE2 GLU 488.A OE1 no hydrogen 2.749 N/A LEU 545.A N ASP 541.A O no hydrogen 2.994 N/A TRP 546.A N ARG 542.A O no hydrogen 3.281 N/A LYS 547.A N GLU 543.A O no hydrogen 3.036 N/A LEU 548.A N HIS 544.A O no hydrogen 2.909 N/A ILE 549.A N LEU 545.A O no hydrogen 2.926 N/A HIS 550.A N TRP 546.A O no hydrogen 2.877 N/A HIS 550.A ND1 TYR 591.A OH no hydrogen 3.218 N/A GLU 551.A N LYS 547.A O no hydrogen 2.747 N/A GLY 552.A N LYS 547.A O no hydrogen 3.149 N/A ALA 554.A N LEU 548.A O no hydrogen 2.690 N/A HIS 555.A N PRO 456.A O no hydrogen 2.870 N/A ILE 556.A N ARG 600.A O no hydrogen 2.775 N/A TYR 557.A N ILE 458.A O no hydrogen 2.846 N/A TYR 557.A OH ARG 448.A O no hydrogen 2.723 N/A VAL 558.A N SER 602.A O no hydrogen 2.994 N/A CYS 559.A N VAL 460.A O no hydrogen 3.003 N/A CYS 559.A SG GLY 465.A O no hydrogen 3.240 N/A CYS 559.A SG ASP 604.A O no hydrogen 3.993 N/A GLY 560.A N ASP 604.A O no hydrogen 3.032 N/A ALA 562.A N SER 607.A O no hydrogen 3.377 N/A ARG 563.A NH1 THR 111.A OG1 no hydrogen 3.068 N/A ARG 563.A NH2 SER 607.A OXT no hydrogen 3.204 N/A ASN 564.A N ASP 561.A OD1 no hydrogen 2.925 N/A ASN 564.A ND2 ASP 561.A OD1 no hydrogen 2.923 N/A ALA 566.A N ASP 561.A O no hydrogen 2.790 N/A LYS 567.A NZ ASP 568.A OD1 no hydrogen 2.626 N/A ASP 568.A N ASN 564.A O no hydrogen 2.732 N/A VAL 569.A N MET 565.A O no hydrogen 2.940 N/A GLN 570.A N ALA 566.A O no hydrogen 3.129 N/A ASN 571.A N LYS 567.A O no hydrogen 2.951 N/A THR 572.A N ASP 568.A O no hydrogen 2.880 N/A THR 572.A OG1 ASP 568.A O no hydrogen 2.988 N/A PHE 573.A N VAL 569.A O no hydrogen 2.905 N/A TYR 574.A N GLN 570.A O no hydrogen 2.860 N/A ASP 575.A N ASN 571.A O no hydrogen 2.973 N/A ILE 576.A N THR 572.A O no hydrogen 3.061 N/A VAL 577.A N PHE 573.A O no hydrogen 3.099 N/A ALA 578.A N TYR 574.A O no hydrogen 2.933 N/A GLU 579.A N ASP 575.A O no hydrogen 2.959 N/A PHE 580.A N ILE 576.A O no hydrogen 3.057 N/A GLY 581.A N VAL 577.A O no hydrogen 2.981 N/A MET 583.A N ALA 578.A O no hydrogen 3.120 N/A GLU 584.A N GLN 587.A OE1 no hydrogen 3.391 N/A ALA 588.A N GLU 584.A O no hydrogen 2.925 N/A VAL 589.A N HIS 585.A O no hydrogen 2.910 N/A ASP 590.A N THR 586.A O no hydrogen 3.497 N/A TYR 591.A N GLN 587.A O no hydrogen 3.186 N/A TYR 591.A OH HIS 550.A ND1 no hydrogen 3.218 N/A VAL 592.A N ALA 588.A O no hydrogen 2.952 N/A LYS 593.A N VAL 589.A O no hydrogen 2.819 N/A LYS 594.A N ASP 590.A O no hydrogen 2.701 N/A LEU 595.A N TYR 591.A O no hydrogen 3.130 N/A MET 596.A N VAL 592.A O no hydrogen 3.298 N/A THR 597.A N LYS 593.A O no hydrogen 3.205 N/A THR 597.A OG1 LYS 594.A O no hydrogen 3.028 N/A LYS 598.A N LYS 594.A O no hydrogen 2.717 N/A GLY 599.A N MET 596.A O no hydrogen 2.728 N/A ARG 600.A N LEU 595.A O no hydrogen 2.803 N/A ARG 600.A NE ALA 554.A O no hydrogen 2.957 N/A ARG 600.A NH2 ILE 549.A O no hydrogen 2.839 N/A ARG 600.A NH2 ALA 554.A O no hydrogen 2.937 N/A SER 602.A N ILE 556.A O no hydrogen 2.733 N/A LEU 603.A N GLU 76.A OE2 no hydrogen 3.204 N/A ASP 604.A N VAL 558.A O no hydrogen 2.879 N/A TRP 606.A N GLY 560.A O no hydrogen 2.804 N/A TRP 606.A NE1 ASP 604.A OD2 no hydrogen 3.097 N/A SER 607.A OG ASP 561.A OD2 no hydrogen 2.881 N/A