Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4uqi_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N LYS 2.A O no hydrogen 3.262 N/A THR 5.A OG1 LYS 2.A O no hydrogen 2.629 N/A LYS 8.A N THR 6.A OG1 no hydrogen 3.010 N/A GLU 14.A N GLY 10.A O no hydrogen 3.002 N/A LEU 15.A N GLU 11.A O no hydrogen 2.933 N/A LYS 16.A N ILE 12.A O no hydrogen 2.888 N/A LYS 16.A NZ ASP 50.A OD1 no hydrogen 3.225 N/A ALA 17.A N PHE 13.A O no hydrogen 3.074 N/A GLU 18.A N GLU 14.A O no hydrogen 3.041 N/A LEU 19.A N LEU 15.A O no hydrogen 2.936 N/A LEU 19.A N LYS 16.A O no hydrogen 3.236 N/A ASN 20.A N ALA 17.A O no hydrogen 3.157 N/A ASN 20.A ND2 LYS 16.A O no hydrogen 3.192 N/A ASN 20.A ND2 ASP 50.A OD2 no hydrogen 2.703 N/A ASN 21.A N ALA 17.A O no hydrogen 3.142 N/A LYS 23.A N ASN 21.A OD1 no hydrogen 2.500 N/A LYS 24.A NZ ASP 58.A OD2 no hydrogen 3.436 N/A LYS 26.A N LYS 23.A O no hydrogen 2.937 N/A ARG 27.A N LYS 23.A O no hydrogen 3.184 N/A ARG 27.A NE ASN 21.A O no hydrogen 2.850 N/A ARG 27.A NH2 GLU 22.A O no hydrogen 3.290 N/A LYS 28.A N LYS 24.A O no hydrogen 2.743 N/A LYS 28.A NZ GLU 25.A OE1 no hydrogen 2.735 N/A LYS 28.A NZ GLU 61.A OE1 no hydrogen 2.934 N/A GLU 29.A N GLU 25.A O no hydrogen 3.306 N/A ALA 30.A N LYS 26.A O no hydrogen 3.275 N/A VAL 31.A N ARG 27.A O no hydrogen 2.991 N/A LYS 32.A N LYS 28.A O no hydrogen 3.209 N/A LYS 32.A NZ GLU 29.A OE2 no hydrogen 3.513 N/A LYS 33.A N GLU 29.A O no hydrogen 3.159 N/A LYS 33.A NZ GLU 18.A OE1 no hydrogen 2.636 N/A VAL 34.A N ALA 30.A O no hydrogen 2.781 N/A ILE 35.A N VAL 31.A O no hydrogen 2.931 N/A ALA 36.A N LYS 32.A O no hydrogen 2.826 N/A ALA 37.A N LYS 33.A O no hydrogen 3.093 N/A MET 38.A N VAL 34.A O no hydrogen 2.988 N/A THR 39.A N ILE 35.A O no hydrogen 3.202 N/A THR 39.A OG1 ILE 35.A O no hydrogen 2.947 N/A VAL 40.A N ALA 37.A O no hydrogen 2.805 N/A GLY 41.A N MET 38.A O no hydrogen 2.859 N/A LYS 42.A N ALA 37.A O no hydrogen 3.422 N/A LYS 42.A NZ GLU 11.A OE1 no hydrogen 3.080 N/A SER 45.A N ASP 43.A OD1 no hydrogen 3.020 N/A SER 45.A OG ASP 43.A OD1 no hydrogen 2.639 N/A SER 45.A OG ASP 43.A OD2 no hydrogen 3.542 N/A LEU 47.A N VAL 44.A O no hydrogen 3.103 N/A PHE 48.A N SER 45.A O no hydrogen 3.073 N/A VAL 51.A N LEU 47.A O no hydrogen 2.898 N/A VAL 52.A N PHE 48.A O no hydrogen 2.909 N/A ASN 53.A N PRO 49.A O no hydrogen 3.106 N/A CYS 54.A SG LEU 19.A O no hydrogen 3.863 N/A MET 55.A N VAL 52.A O no hydrogen 3.254 N/A GLN 56.A N ASN 53.A O no hydrogen 2.951 N/A THR 57.A N MET 55.A O no hydrogen 2.808 N/A THR 57.A OG1 ASP 58.A OD1 no hydrogen 3.555 N/A ASN 59.A N THR 57.A OG1 no hydrogen 2.710 N/A LEU 62.A N ASN 59.A OD1 no hydrogen 2.836 N/A LYS 63.A N ASN 59.A O no hydrogen 3.288 N/A LYS 63.A NZ MET 55.A O no hydrogen 3.335 N/A LYS 64.A N LEU 60.A O no hydrogen 2.985 N/A LEU 65.A N GLU 61.A O no hydrogen 3.266 N/A VAL 66.A N LEU 62.A O no hydrogen 3.236 N/A TYR 67.A N LYS 63.A O no hydrogen 3.051 N/A TYR 67.A OH ASP 91.A OD2 no hydrogen 3.141 N/A LEU 68.A N LYS 64.A O no hydrogen 3.115 N/A TYR 69.A N LEU 65.A O no hydrogen 3.352 N/A TYR 69.A OH VAL 44.A O no hydrogen 3.270 N/A LEU 70.A N VAL 66.A O no hydrogen 3.112 N/A MET 71.A N TYR 67.A O no hydrogen 2.853 N/A ASN 72.A N LEU 68.A O no hydrogen 3.039 N/A ALA 74.A N LEU 70.A O no hydrogen 2.941 N/A SER 76.A OG ASN 72.A O no hydrogen 2.573 N/A ILE 82.A N PRO 78.A O no hydrogen 3.271 N/A MET 83.A N MET 80.A O no hydrogen 3.058 N/A ALA 84.A N ALA 81.A O no hydrogen 3.362 N/A VAL 85.A N ILE 82.A O no hydrogen 3.055 N/A VAL 89.A N VAL 85.A O no hydrogen 3.059 N/A LYS 90.A N ASN 86.A O no hydrogen 3.467 N/A ASP 91.A N SER 87.A O no hydrogen 2.921 N/A CYS 92.A N PHE 88.A O no hydrogen 3.048 N/A CYS 92.A SG PHE 88.A O no hydrogen 3.037 N/A CYS 92.A SG VAL 89.A O no hydrogen 2.620 N/A GLU 93.A N LYS 90.A O no hydrogen 2.848 N/A ASP 94.A N LYS 90.A O no hydrogen 2.971 N/A LEU 98.A N ASN 96.A OD1 no hydrogen 3.074 N/A ARG 100.A N ASN 96.A O no hydrogen 2.955 N/A ARG 100.A NE ASP 129.A OD2 no hydrogen 2.723 N/A ARG 100.A NH1 ASP 94.A O no hydrogen 3.416 N/A ARG 100.A NH2 ASP 129.A OD1 no hydrogen 3.248 N/A ALA 101.A N PRO 97.A O no hydrogen 3.057 N/A LEU 102.A N LEU 98.A O no hydrogen 3.187 N/A ALA 103.A N ILE 99.A O no hydrogen 2.947 N/A ALA 103.A N ARG 100.A O no hydrogen 3.238 N/A VAL 104.A N ARG 100.A O no hydrogen 3.263 N/A ARG 105.A N ALA 101.A O no hydrogen 3.340 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.867 N/A MET 107.A N ALA 103.A O no hydrogen 3.279 N/A GLY 108.A N VAL 104.A O no hydrogen 3.231 N/A CYS 109.A N THR 106.A O no hydrogen 3.466 N/A CYS 109.A SG ARG 105.A O no hydrogen 3.564 N/A ARG 111.A NH1 ASP 147.A OD1 no hydrogen 3.199 N/A THR 116.A N ASP 113.A O no hydrogen 3.475 N/A THR 116.A OG1 ASP 113.A O no hydrogen 3.370 N/A LEU 119.A N ILE 115.A O no hydrogen 3.124 N/A CYS 120.A SG THR 116.A O no hydrogen 2.457 N/A LEU 123.A N LEU 119.A O no hydrogen 3.070 N/A ARG 124.A N CYS 120.A O no hydrogen 2.934 N/A LYS 125.A N GLU 121.A O no hydrogen 2.997 N/A CYS 126.A N LEU 123.A O no hydrogen 2.938 N/A LEU 127.A N LEU 123.A O no hydrogen 3.303 N/A LYS 128.A N LYS 125.A O no hydrogen 3.365 N/A ASP 131.A N ASP 129.A OD1 no hydrogen 2.671 N/A TYR 133.A N ASP 131.A OD1 no hydrogen 2.807 N/A VAL 134.A N ASP 131.A O no hydrogen 3.256 N/A ARG 135.A NE ASP 129.A O no hydrogen 2.659 N/A ARG 135.A NH1 ASP 168.A OD1 no hydrogen 2.937 N/A ARG 135.A NH2 ASP 129.A O no hydrogen 3.205 N/A LYS 136.A N PRO 132.A O no hydrogen 3.046 N/A THR 137.A OG1 TYR 133.A O no hydrogen 2.633 N/A ALA 138.A N VAL 134.A O no hydrogen 2.911 N/A ALA 139.A N ARG 135.A O no hydrogen 3.072 N/A CYS 141.A N THR 137.A O no hydrogen 2.944 N/A VAL 142.A N ALA 138.A O no hydrogen 3.031 N/A VAL 142.A N ALA 139.A O no hydrogen 2.889 N/A LYS 144.A N VAL 140.A O no hydrogen 3.173 N/A LYS 144.A NZ ARG 105.A O no hydrogen 2.931 N/A LEU 145.A N CYS 141.A O no hydrogen 2.879 N/A HIS 146.A N VAL 142.A O no hydrogen 3.029 N/A ASP 147.A N ALA 143.A O no hydrogen 3.109 N/A ILE 148.A N LYS 144.A O no hydrogen 3.301 N/A GLN 151.A NE2 MET 152.A O no hydrogen 2.987 N/A GLN 156.A N MET 152.A O no hydrogen 2.922 N/A GLY 157.A N VAL 153.A O no hydrogen 2.687 N/A PHE 158.A N GLU 154.A O no hydrogen 2.811 N/A LEU 159.A N ASP 155.A O no hydrogen 2.732 N/A ASP 160.A N GLN 156.A O no hydrogen 3.315 N/A ASP 160.A N GLY 157.A O no hydrogen 3.236 N/A SER 161.A N GLY 157.A O no hydrogen 3.015 N/A SER 161.A OG GLY 157.A O no hydrogen 2.735 N/A LEU 162.A N PHE 158.A O no hydrogen 2.762 N/A ARG 163.A NH1 ASP 160.A OD1 no hydrogen 3.023 N/A ASP 164.A N ASP 160.A O no hydrogen 2.851 N/A LEU 165.A N SER 161.A O no hydrogen 3.037 N/A ILE 166.A N LEU 162.A O no hydrogen 3.182 N/A ILE 166.A N ARG 163.A O no hydrogen 3.015 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 2.984 N/A MET 172.A N ASN 170.A OD1 no hydrogen 3.051 N/A VAL 174.A N ASN 170.A O no hydrogen 3.074 N/A ALA 175.A N PRO 171.A O no hydrogen 3.043 N/A ASN 176.A N MET 172.A O no hydrogen 3.144 N/A ASN 176.A ND2 MET 172.A O no hydrogen 3.112 N/A ALA 177.A N VAL 173.A O no hydrogen 3.030 N/A VAL 178.A N VAL 174.A O no hydrogen 3.022 N/A ALA 179.A N ALA 175.A O no hydrogen 3.134 N/A ALA 180.A N ASN 176.A O no hydrogen 2.879 N/A LEU 181.A N ALA 177.A O no hydrogen 2.716 N/A SER 182.A N VAL 178.A O no hydrogen 2.713 N/A SER 182.A OG VAL 178.A O no hydrogen 3.204 N/A GLU 183.A N ALA 179.A O no hydrogen 3.266 N/A ILE 184.A N ALA 180.A O no hydrogen 2.785 N/A SER 185.A N LEU 181.A O no hydrogen 2.657 N/A SER 185.A OG ASN 192.A O no hydrogen 3.567 N/A GLU 186.A N SER 182.A O no hydrogen 3.119 N/A SER 187.A N GLU 183.A O no hydrogen 3.479 N/A SER 187.A OG GLU 183.A O no hydrogen 3.499 N/A ASN 197.A ND2 ASP 195.A O no hydrogen 3.013 N/A ASN 200.A ND2 ASP 195.A OD2 no hydrogen 3.260 N/A ILE 201.A N ASN 197.A O no hydrogen 2.461 N/A ASN 202.A N PRO 198.A O no hydrogen 3.242 N/A LYS 203.A N GLN 199.A O no hydrogen 2.644 N/A LEU 204.A N ASN 200.A O no hydrogen 2.794 N/A LEU 205.A N ILE 201.A O no hydrogen 2.565 N/A THR 206.A N ASN 202.A O no hydrogen 2.814 N/A THR 206.A OG1 LYS 203.A O no hydrogen 3.242 N/A ALA 207.A N LYS 203.A O no hydrogen 3.083 N/A LEU 208.A N LEU 204.A O no hydrogen 2.587 N/A ASN 209.A N ALA 207.A O no hydrogen 2.599 N/A ASN 209.A ND2 LEU 205.A O no hydrogen 2.784 N/A CYS 211.A N ALA 207.A O no hydrogen 3.052 N/A CYS 211.A SG PRO 171.A O no hydrogen 3.174 N/A GLN 216.A N THR 212.A O no hydrogen 3.493 N/A PHE 218.A N TRP 214.A O no hydrogen 3.315 N/A ILE 219.A N GLY 215.A O no hydrogen 3.155 N/A LEU 220.A N GLN 216.A O no hydrogen 2.873 N/A ASP 221.A N ILE 217.A O no hydrogen 3.335 N/A CYS 222.A N PHE 218.A O no hydrogen 2.987 N/A LEU 223.A N ILE 219.A O no hydrogen 2.847 N/A SER 224.A N LEU 220.A O no hydrogen 2.838 N/A ASN 225.A N CYS 222.A O no hydrogen 3.068 N/A TYR 226.A N LEU 223.A O no hydrogen 2.863 N/A LYS 229.A N GLU 233.A OE1 no hydrogen 2.994 N/A GLN 235.A N ASP 231.A O no hydrogen 2.644 N/A SER 236.A N ARG 232.A O no hydrogen 3.457 N/A SER 236.A OG ARG 232.A O no hydrogen 3.015 N/A ILE 237.A N GLU 233.A O no hydrogen 3.447 N/A CYS 238.A N ALA 234.A O no hydrogen 3.098 N/A CYS 238.A SG ALA 234.A O no hydrogen 3.574 N/A GLU 239.A N GLN 235.A O no hydrogen 3.207 N/A ARG 240.A N SER 236.A O no hydrogen 2.961 N/A VAL 241.A N ILE 237.A O no hydrogen 2.917 N/A THR 242.A N CYS 238.A O no hydrogen 3.000 N/A THR 242.A OG1 CYS 238.A O no hydrogen 2.574 N/A ARG 244.A N VAL 241.A O no hydrogen 3.165 N/A LEU 245.A N PRO 243.A O no hydrogen 2.566 N/A SER 246.A OG SER 246.A O no hydrogen 2.264 N/A SER 255.A N ALA 251.A O no hydrogen 3.009 N/A SER 255.A OG ASP 221.A OD1 no hydrogen 2.833 N/A SER 255.A OG ASP 221.A OD2 no hydrogen 3.246 N/A SER 255.A OG ALA 251.A O no hydrogen 3.447 N/A ALA 256.A N VAL 252.A O no hydrogen 3.146 N/A VAL 257.A N VAL 253.A O no hydrogen 2.717 N/A LYS 258.A N LEU 254.A O no hydrogen 3.044 N/A LYS 258.A NZ ASP 221.A OD1 no hydrogen 2.506 N/A VAL 259.A N SER 255.A O no hydrogen 3.180 N/A LEU 260.A N ALA 256.A O no hydrogen 2.842 N/A MET 261.A N VAL 257.A O no hydrogen 2.939 N/A MET 261.A N LYS 258.A O no hydrogen 3.209 N/A LYS 262.A N LYS 258.A O no hydrogen 3.169 N/A LYS 262.A NZ SER 224.A O no hydrogen 3.162 N/A LYS 262.A NZ TYR 226.A O no hydrogen 3.155 N/A LYS 262.A NZ ASN 227.A OD1 no hydrogen 2.969 N/A PHE 263.A N VAL 259.A O no hydrogen 3.255 N/A LEU 264.A N LEU 260.A O no hydrogen 3.179 N/A LEU 267.A N LEU 264.A O no hydrogen 2.831 N/A SER 271.A OG ASP 270.A O no hydrogen 2.696 N/A TYR 273.A N ASP 270.A OD2 no hydrogen 2.865 N/A ASN 275.A N SER 271.A O no hydrogen 3.144 N/A ASN 275.A ND2 ASN 275.A O no hydrogen 2.835 N/A MET 276.A N TYR 273.A O no hydrogen 2.737 N/A LEU 277.A N TYR 273.A O no hydrogen 3.076 N/A LEU 278.A N TYR 274.A O no hydrogen 3.390 N/A LYS 279.A N ASN 275.A O no hydrogen 3.365 N/A LYS 279.A N MET 276.A O no hydrogen 2.869 N/A LYS 280.A N MET 276.A O no hydrogen 2.845 N/A LEU 281.A N LEU 277.A O no hydrogen 3.246 N/A VAL 286.A N ALA 282.A O no hydrogen 3.079 N/A THR 287.A N PRO 283.A O no hydrogen 2.957 N/A THR 287.A OG1 PRO 283.A O no hydrogen 3.211 N/A THR 287.A OG1 PRO 284.A O no hydrogen 2.407 N/A LEU 288.A N PRO 284.A O no hydrogen 3.294 N/A LEU 288.A N LEU 285.A O no hydrogen 2.809 N/A SER 290.A N THR 287.A O no hydrogen 2.980 N/A GLY 291.A N LEU 288.A O no hydrogen 2.774 N/A GLU 294.A N GLU 294.A OE1 no hydrogen 2.789 N/A GLN 296.A N GLU 292.A O no hydrogen 3.132 N/A TYR 297.A N PRO 293.A O no hydrogen 2.998 N/A VAL 298.A N GLU 294.A O no hydrogen 3.150 N/A ALA 299.A N VAL 295.A O no hydrogen 2.994 N/A LEU 300.A N GLN 296.A O no hydrogen 2.741 N/A ARG 301.A N TYR 297.A O no hydrogen 2.872 N/A ARG 301.A NE VAL 570.A O no hydrogen 2.658 N/A ARG 301.A NH1 GLU 334.A OE1 no hydrogen 3.395 N/A ARG 301.A NH1 GLU 334.A OE2 no hydrogen 3.312 N/A ARG 301.A NH2 VAL 570.A O no hydrogen 2.768 N/A ASN 302.A N VAL 298.A O no hydrogen 3.016 N/A ASN 302.A ND2 VAL 298.A O no hydrogen 3.257 N/A ASN 302.A ND2 ILE 564.A O no hydrogen 2.843 N/A ASN 302.A ND2 SER 569.A OG no hydrogen 2.824 N/A ILE 303.A N ALA 299.A O no hydrogen 2.727 N/A ASN 304.A N LEU 300.A O no hydrogen 2.802 N/A ILE 306.A N ASN 302.A O no hydrogen 3.017 N/A VAL 307.A N ILE 303.A O no hydrogen 2.701 N/A GLN 308.A N LEU 305.A O no hydrogen 2.984 N/A LYS 309.A N LEU 305.A O no hydrogen 3.085 N/A LYS 309.A NZ ASP 558.A OD1 no hydrogen 2.618 N/A ARG 310.A N ILE 306.A O no hydrogen 2.738 N/A LYS 315.A N GLU 312.A O no hydrogen 3.060 N/A GLU 317.A N LEU 314.A O no hydrogen 2.994 N/A VAL 320.A N GLU 317.A O no hydrogen 3.313 N/A PHE 321.A N ILE 318.A O no hydrogen 3.112 N/A PHE 322.A N LYS 319.A O no hydrogen 3.204 N/A VAL 323.A N TYR 358.A OH no hydrogen 3.045 N/A LYS 324.A N ASP 327.A OD2 no hydrogen 2.948 N/A ASP 327.A N LYS 324.A O no hydrogen 2.922 N/A LYS 332.A N PRO 328.A O no hydrogen 2.758 N/A LYS 332.A NZ TYR 325.A O no hydrogen 2.755 N/A LEU 333.A N ILE 329.A O no hydrogen 2.756 N/A GLU 334.A N TYR 330.A O no hydrogen 3.278 N/A LYS 335.A N VAL 331.A O no hydrogen 3.302 N/A LYS 335.A NZ PHE 322.A O no hydrogen 2.990 N/A LYS 335.A NZ ASP 327.A OD2 no hydrogen 3.317 N/A LEU 336.A N LYS 332.A O no hydrogen 3.191 N/A LEU 336.A N LEU 333.A O no hydrogen 2.954 N/A ASP 337.A N LEU 333.A O no hydrogen 3.219 N/A ILE 338.A N GLU 334.A O no hydrogen 3.302 N/A MET 339.A N LYS 335.A O no hydrogen 2.926 N/A ILE 340.A N LEU 336.A O no hydrogen 3.187 N/A ARG 341.A N ASP 337.A O no hydrogen 3.094 N/A ARG 341.A NE GLN 308.A OE1 no hydrogen 3.062 N/A ARG 341.A NH2 GLN 308.A OE1 no hydrogen 3.406 N/A LEU 342.A N ILE 338.A O no hydrogen 2.892 N/A ALA 343.A N ILE 340.A O no hydrogen 3.091 N/A SER 344.A N ASN 347.A OD1 no hydrogen 2.760 N/A ASN 347.A N SER 344.A O no hydrogen 2.961 N/A ASN 347.A ND2 LEU 342.A O no hydrogen 2.931 N/A ILE 348.A N SER 344.A O no hydrogen 3.235 N/A GLN 350.A N ASN 347.A O no hydrogen 2.991 N/A VAL 351.A N ASN 347.A O no hydrogen 3.216 N/A LEU 352.A N ILE 348.A O no hydrogen 2.858 N/A ALA 353.A N ALA 349.A O no hydrogen 3.376 N/A GLU 354.A N GLN 350.A O no hydrogen 2.712 N/A LEU 355.A N VAL 351.A O no hydrogen 2.806 N/A LYS 356.A N LEU 352.A O no hydrogen 3.218 N/A LYS 356.A NZ ASP 394.A OD2 no hydrogen 2.700 N/A GLU 357.A N ALA 353.A O no hydrogen 3.233 N/A TYR 358.A N GLU 354.A O no hydrogen 3.015 N/A TYR 358.A OH GLU 354.A OE1 no hydrogen 2.441 N/A ALA 359.A N LEU 355.A O no hydrogen 2.957 N/A THR 360.A N GLU 357.A O no hydrogen 3.013 N/A THR 360.A OG1 LYS 356.A O no hydrogen 3.348 N/A THR 360.A OG1 GLU 357.A O no hydrogen 2.497 N/A GLU 361.A N TYR 358.A O no hydrogen 3.070 N/A PHE 366.A N ASP 363.A OD1 no hydrogen 3.342 N/A VAL 367.A N ASP 363.A O no hydrogen 2.749 N/A ARG 368.A N VAL 364.A O no hydrogen 2.961 N/A ARG 368.A NH1 GLU 438.A OE1 no hydrogen 3.396 N/A ARG 368.A NH2 GLU 438.A OE1 no hydrogen 3.046 N/A LYS 369.A N ASP 365.A O no hydrogen 3.370 N/A LYS 369.A NZ ASN 595.A OD1 no hydrogen 3.452 N/A LYS 369.A NZ ASP 597.A OD1 no hydrogen 2.548 N/A ALA 370.A N PHE 366.A O no hydrogen 3.163 N/A VAL 371.A N VAL 367.A O no hydrogen 3.226 N/A ARG 372.A N ARG 368.A O no hydrogen 3.436 N/A ALA 373.A N LYS 369.A O no hydrogen 2.743 N/A ILE 374.A N ALA 370.A O no hydrogen 2.975 N/A GLY 375.A N VAL 371.A O no hydrogen 3.079 N/A ARG 376.A N ARG 372.A O no hydrogen 2.785 N/A ARG 376.A NH1 THR 549.A OG1 no hydrogen 3.377 N/A CYS 377.A N ALA 373.A O no hydrogen 2.964 N/A CYS 377.A SG ALA 373.A O no hydrogen 3.514 N/A ALA 378.A N ILE 374.A O no hydrogen 2.986 N/A ILE 379.A N GLY 375.A O no hydrogen 3.048 N/A LYS 380.A N ARG 376.A O no hydrogen 3.024 N/A LYS 380.A N CYS 377.A O no hydrogen 3.167 N/A LYS 380.A NZ ILE 340.A O no hydrogen 3.174 N/A LYS 380.A NZ ALA 343.A O no hydrogen 3.466 N/A VAL 381.A N CYS 377.A O no hydrogen 3.013 N/A GLN 383.A N GLN 383.A OE1 no hydrogen 2.673 N/A SER 384.A N VAL 381.A O no hydrogen 3.093 N/A SER 384.A OG CYS 377.A O no hydrogen 2.935 N/A SER 384.A OG VAL 381.A O no hydrogen 2.543 N/A CYS 388.A N SER 384.A O no hydrogen 2.794 N/A CYS 388.A SG ILE 374.A O no hydrogen 3.731 N/A CYS 388.A SG SER 384.A O no hydrogen 3.128 N/A VAL 389.A N ALA 385.A O no hydrogen 2.994 N/A SER 390.A N GLU 386.A O no hydrogen 3.309 N/A THR 391.A N ARG 387.A O no hydrogen 2.843 N/A THR 391.A OG1 ARG 387.A O no hydrogen 3.152 N/A LEU 392.A N CYS 388.A O no hydrogen 2.789 N/A LEU 393.A N VAL 389.A O no hydrogen 3.054 N/A LEU 393.A N SER 390.A O no hydrogen 2.921 N/A ASP 394.A N SER 390.A O no hydrogen 3.024 N/A LEU 395.A N THR 391.A O no hydrogen 3.084 N/A ILE 396.A N LEU 392.A O no hydrogen 3.169 N/A GLN 397.A N LEU 393.A O no hydrogen 3.072 N/A THR 398.A N ASP 394.A O no hydrogen 3.207 N/A THR 398.A N LEU 395.A O no hydrogen 2.953 N/A THR 398.A OG1 LEU 395.A O no hydrogen 2.548 N/A LYS 399.A N ILE 396.A O no hydrogen 3.133 N/A VAL 403.A N VAL 400.A O no hydrogen 2.793 N/A VAL 404.A N VAL 400.A O no hydrogen 2.902 N/A GLN 405.A N ASN 401.A O no hydrogen 3.223 N/A GLN 405.A NE2 SER 435.A O no hydrogen 2.853 N/A GLN 405.A NE2 ASP 437.A OD1 no hydrogen 2.767 N/A ALA 407.A N VAL 403.A O no hydrogen 3.049 N/A ILE 408.A N VAL 404.A O no hydrogen 3.064 N/A VAL 410.A N GLU 406.A O no hydrogen 3.010 N/A ILE 411.A N ALA 407.A O no hydrogen 2.819 N/A ARG 412.A N ILE 408.A O no hydrogen 3.177 N/A ILE 414.A N VAL 410.A O no hydrogen 3.017 N/A PHE 415.A N ILE 411.A O no hydrogen 2.849 N/A ARG 416.A N ARG 412.A O no hydrogen 2.889 N/A LYS 417.A N ASP 413.A O no hydrogen 3.041 N/A TYR 418.A N ILE 414.A O no hydrogen 2.943 N/A TYR 418.A OH ALA 378.A O no hydrogen 2.489 N/A ASN 420.A N TYR 452.A OH no hydrogen 3.389 N/A ILE 425.A N TYR 422.A O no hydrogen 3.096 N/A ILE 426.A N GLU 423.A O no hydrogen 2.998 N/A THR 428.A OG1 ILE 425.A O no hydrogen 3.174 N/A LEU 429.A N ILE 425.A O no hydrogen 3.196 N/A LEU 429.A N ILE 426.A O no hydrogen 3.098 N/A CYS 430.A N ILE 426.A O no hydrogen 3.000 N/A CYS 430.A SG ILE 426.A O no hydrogen 3.155 N/A GLU 431.A N ALA 427.A O no hydrogen 3.068 N/A ASN 432.A N LEU 429.A O no hydrogen 3.104 N/A LEU 433.A N CYS 430.A O no hydrogen 3.161 N/A SER 435.A N ASN 432.A O no hydrogen 3.160 N/A SER 435.A OG ASN 432.A O no hydrogen 3.151 N/A GLU 438.A N GLN 405.A OE1 no hydrogen 3.047 N/A ARG 442.A N GLU 438.A O no hydrogen 3.444 N/A ARG 442.A NH1 GLU 473.A OE1 no hydrogen 3.111 N/A ALA 443.A N PRO 439.A O no hydrogen 3.188 N/A ALA 444.A N ASP 440.A O no hydrogen 2.960 N/A MET 445.A N ALA 441.A O no hydrogen 2.986 N/A ILE 446.A N ARG 442.A O no hydrogen 2.886 N/A TRP 447.A N ALA 443.A O no hydrogen 2.790 N/A ILE 448.A N ALA 444.A O no hydrogen 3.058 N/A VAL 449.A N MET 445.A O no hydrogen 2.914 N/A GLY 450.A N ILE 446.A O no hydrogen 2.932 N/A GLU 451.A N TRP 447.A O no hydrogen 3.035 N/A ARG 455.A N TYR 452.A O no hydrogen 3.288 N/A ARG 455.A NE GLU 423.A OE1 no hydrogen 2.504 N/A ARG 455.A NE GLU 423.A OE2 no hydrogen 3.171 N/A ILE 456.A N ALA 453.A O no hydrogen 2.865 N/A ALA 459.A N ILE 456.A O no hydrogen 3.247 N/A GLU 464.A N ASP 460.A O no hydrogen 3.202 N/A SER 465.A OG LEU 462.A O no hydrogen 2.730 N/A LEU 467.A N GLU 464.A O no hydrogen 2.768 N/A GLN 476.A NE2 ASP 440.A OD1 no hydrogen 3.224 N/A GLN 478.A N SER 474.A O no hydrogen 2.898 N/A GLN 478.A NE2 PHE 470.A O no hydrogen 2.837 N/A LEU 479.A N THR 475.A O no hydrogen 2.904 N/A THR 480.A N GLN 476.A O no hydrogen 2.993 N/A THR 480.A OG1 GLN 476.A O no hydrogen 3.106 N/A LEU 481.A N VAL 477.A O no hydrogen 2.972 N/A LEU 482.A N GLN 478.A O no hydrogen 2.833 N/A THR 483.A N LEU 479.A O no hydrogen 3.185 N/A THR 483.A OG1 TYR 523.A OH no hydrogen 2.581 N/A ALA 484.A N THR 480.A O no hydrogen 2.784 N/A ILE 485.A N LEU 481.A O no hydrogen 2.900 N/A VAL 486.A N LEU 482.A O no hydrogen 2.970 N/A LYS 487.A N THR 483.A O no hydrogen 2.813 N/A LYS 487.A NZ GLU 451.A OE2 no hydrogen 2.769 N/A LEU 488.A N ALA 484.A O no hydrogen 2.882 N/A LEU 490.A N VAL 486.A O no hydrogen 3.515 N/A LYS 491.A N LYS 487.A O no hydrogen 3.261 N/A LYS 491.A NZ GLY 450.A O no hydrogen 3.232 N/A LYS 492.A N LEU 488.A O no hydrogen 2.845 N/A LYS 492.A NZ ALA 453.A O no hydrogen 3.271 N/A LYS 492.A NZ ILE 456.A O no hydrogen 2.593 N/A SER 494.A N LYS 492.A O no hydrogen 2.561 N/A GLU 495.A N SER 494.A OG no hydrogen 2.589 N/A THR 496.A OG1 LYS 492.A O no hydrogen 2.497 N/A VAL 500.A N THR 496.A O no hydrogen 2.984 N/A GLN 501.A N GLN 497.A O no hydrogen 3.416 N/A GLN 502.A N GLU 498.A O no hydrogen 3.349 N/A GLN 502.A NE2 GLU 498.A OE1 no hydrogen 2.792 N/A VAL 503.A N LEU 499.A O no hydrogen 2.851 N/A LEU 504.A N VAL 500.A O no hydrogen 2.989 N/A SER 505.A N GLN 501.A O no hydrogen 2.802 N/A SER 505.A OG GLN 502.A O no hydrogen 2.673 N/A LEU 506.A N GLN 502.A O no hydrogen 3.129 N/A ALA 507.A N VAL 503.A O no hydrogen 3.269 N/A THR 508.A N LEU 504.A O no hydrogen 3.182 N/A THR 508.A OG1 LEU 504.A O no hydrogen 2.789 N/A GLN 509.A N SER 505.A O no hydrogen 2.929 N/A ASP 510.A N LEU 506.A O no hydrogen 2.875 N/A ASP 515.A N ASN 513.A OD1 no hydrogen 2.980 N/A LEU 516.A N ASN 513.A OD1 no hydrogen 3.354 N/A ARG 517.A N ASN 513.A O no hydrogen 2.700 N/A ARG 517.A NE THR 508.A O no hydrogen 3.441 N/A ASP 518.A N PRO 514.A O no hydrogen 2.967 N/A ARG 519.A N ASP 515.A O no hydrogen 3.136 N/A GLY 520.A N LEU 516.A O no hydrogen 2.942 N/A TYR 521.A N ARG 517.A O no hydrogen 3.046 N/A ILE 522.A N ASP 518.A O no hydrogen 3.002 N/A TYR 523.A N ARG 519.A O no hydrogen 3.093 N/A TYR 523.A OH THR 483.A OG1 no hydrogen 2.581 N/A TRP 524.A N GLY 520.A O no hydrogen 2.860 N/A ARG 525.A N TYR 521.A O no hydrogen 2.710 N/A LEU 526.A N TYR 523.A O no hydrogen 2.805 N/A LEU 527.A N TYR 523.A O no hydrogen 2.983 N/A THR 529.A OG1 TRP 524.A O no hydrogen 3.370 N/A ASP 530.A N LEU 526.A O no hydrogen 2.871 N/A THR 533.A OG1 ASP 530.A OD1 no hydrogen 2.916 N/A LYS 535.A N VAL 532.A O no hydrogen 3.001 N/A LYS 535.A NZ LEU 490.A O no hydrogen 3.515 N/A VAL 538.A N ALA 534.A O no hydrogen 3.256 N/A LEU 539.A N LYS 535.A O no hydrogen 2.903 N/A SER 540.A OG GLU 541.A O no hydrogen 3.347 N/A GLU 547.A N GLU 547.A OE1 no hydrogen 2.568 N/A GLU 548.A N SER 546.A O no hydrogen 2.902 N/A THR 549.A OG1 ASP 550.A OD1 no hydrogen 2.495 N/A LEU 557.A N GLU 553.A O no hydrogen 2.904 N/A ASP 558.A N PRO 554.A O no hydrogen 3.115 N/A GLU 559.A N THR 555.A O no hydrogen 3.493 N/A LEU 560.A N LEU 556.A O no hydrogen 2.909 N/A ILE 561.A N LEU 557.A O no hydrogen 2.742 N/A CYS 562.A N ASP 558.A O no hydrogen 3.070 N/A HIS 563.A N LEU 560.A O no hydrogen 2.852 N/A HIS 563.A ND1 GLU 559.A O no hydrogen 2.958 N/A ILE 564.A N ILE 561.A O no hydrogen 3.319 N/A SER 566.A N HIS 563.A O no hydrogen 2.788 N/A SER 566.A OG HIS 563.A O no hydrogen 3.047 N/A SER 569.A N SER 566.A O no hydrogen 3.003 N/A SER 569.A OG ILE 564.A O no hydrogen 2.573 N/A SER 569.A OG SER 566.A O no hydrogen 2.623 N/A VAL 570.A N LEU 567.A O no hydrogen 2.568 N/A TYR 571.A N LEU 567.A O no hydrogen 2.918 N/A HIS 572.A NE2 ARG 301.A O no hydrogen 2.857 N/A LYS 573.A N ALA 568.A O no hydrogen 3.241 N/A ALA 577.A N PRO 574.A O no hydrogen 2.968 N/A LEU 589.A N SER 585.A O no hydrogen 2.554 N/A LEU 590.A N GLN 586.A O no hydrogen 2.906 N/A GLY 591.A N GLY 587.A O no hydrogen 3.066 N/A ASP 592.A N ASP 588.A O no hydrogen 2.822 N/A LEU 594.A N GLY 591.A O no hydrogen 3.306 N/A ASN 595.A N ASP 592.A O no hydrogen 2.974 N/A