Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xiu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A NE1 ASP 51.A OD2 no hydrogen 2.693 N/A PHE 13.A N ALA 34.A O no hydrogen 2.853 N/A VAL 14.A N ARG 56.A O no hydrogen 2.848 N/A GLY 15.A N ALA 32.A O no hydrogen 3.166 N/A VAL 17.A N ALA 30.A O no hydrogen 3.095 N/A SER 19.A N ASP 27.A O no hydrogen 3.190 N/A ARG 20.A NE GLU 22.A OE1 no hydrogen 2.898 N/A ARG 20.A NH2 GLU 22.A OE2 no hydrogen 2.793 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.712 N/A TRP 25.A N GLU 22.A O no hydrogen 3.073 N/A ALA 26.A N PRO 23.A O no hydrogen 3.400 N/A ASP 27.A N SER 19.A OG no hydrogen 3.182 N/A LEU 28.A N TYR 46.A OH no hydrogen 2.776 N/A LEU 29.A N VAL 17.A O no hydrogen 2.932 N/A ALA 30.A N VAL 17.A O no hydrogen 3.389 N/A ALA 33.A N HIS 40.A O no hydrogen 3.001 N/A GLY 36.A N GLU 117.A OE2 no hydrogen 2.980 N/A VAL 39.A N GLU 2.A O no hydrogen 3.099 N/A HIS 40.A N ALA 33.A O no hydrogen 2.842 N/A ARG 41.A NE GLU 108.A OE1 no hydrogen 3.378 N/A ARG 41.A NH2 GLU 108.A OE2 no hydrogen 3.481 N/A ALA 42.A N LEU 31.A O no hydrogen 2.866 N/A TYR 46.A OH ASP 27.A OD1 no hydrogen 2.136 N/A ALA 48.A N GLU 44.A O no hydrogen 2.593 N/A LEU 49.A N PRO 45.A O no hydrogen 2.853 N/A ARG 50.A N LYS 47.A O no hydrogen 3.050 N/A ARG 50.A NH1 TYR 46.A O no hydrogen 2.488 N/A ASP 51.A N ALA 48.A O no hydrogen 3.096 N/A ALA 55.A N PRO 75.A O no hydrogen 2.702 N/A ARG 56.A NE ASP 78.A OD2 no hydrogen 3.045 N/A ARG 56.A NH1 GLY 11.A O no hydrogen 3.189 N/A ARG 56.A NH2 ASP 78.A OD2 no hydrogen 2.800 N/A GLY 57.A N ASP 78.A O no hydrogen 3.073 N/A LEU 59.A N ASP 79.A OD2 no hydrogen 3.186 N/A ALA 60.A N GLY 57.A O no hydrogen 3.237 N/A LYS 61.A NZ GLU 152.A OE1 no hydrogen 2.684 N/A LYS 61.A NZ PHE 271.A O no hydrogen 2.394 N/A LEU 63.A N LEU 59.A O no hydrogen 3.484 N/A SER 64.A N ALA 60.A O no hydrogen 3.079 N/A SER 64.A OG LEU 74.A O no hydrogen 2.876 N/A VAL 65.A N LYS 61.A O no hydrogen 2.901 N/A LEU 66.A N ASP 62.A O no hydrogen 3.010 N/A ALA 67.A N LEU 63.A O no hydrogen 2.963 N/A LEU 68.A N SER 64.A O no hydrogen 3.035 N/A ARG 69.A N VAL 65.A O no hydrogen 3.121 N/A ARG 69.A NE GLU 70.A OE1 no hydrogen 2.618 N/A ARG 69.A NH1 ALA 26.A O no hydrogen 2.450 N/A ARG 69.A NH2 ALA 26.A O no hydrogen 3.209 N/A ARG 69.A NH2 GLU 70.A OE1 no hydrogen 2.980 N/A GLU 70.A N LEU 66.A O no hydrogen 3.277 N/A GLY 71.A N LEU 68.A O no hydrogen 2.935 N/A GLY 77.A N ALA 55.A O no hydrogen 2.628 N/A ASP 79.A N TYR 137.A OH no hydrogen 3.219 N/A MET 81.A N ASP 79.A OD1 no hydrogen 3.038 N/A LEU 83.A N ASP 79.A O no hydrogen 3.378 N/A ALA 84.A N PRO 80.A O no hydrogen 2.856 N/A TYR 85.A N MET 81.A O no hydrogen 2.959 N/A TYR 85.A OH THR 276.A O no hydrogen 2.557 N/A LEU 86.A N LEU 82.A O no hydrogen 3.361 N/A LEU 87.A N LEU 83.A O no hydrogen 3.014 N/A ASP 88.A N ALA 84.A O no hydrogen 2.934 N/A SER 90.A N ASP 88.A OD1 no hydrogen 3.246 N/A SER 90.A OG ASP 88.A OD1 no hydrogen 2.860 N/A SER 90.A OG ASP 88.A OD2 no hydrogen 3.077 N/A ASN 91.A N ASP 88.A O no hydrogen 2.797 N/A ASN 91.A ND2 ALA 84.A O no hydrogen 3.041 N/A ASN 91.A ND2 TYR 101.A OH no hydrogen 3.144 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.800 N/A VAL 97.A N THR 93.A O no hydrogen 2.904 N/A ALA 98.A N PRO 94.A O no hydrogen 2.747 N/A ARG 99.A N GLU 95.A O no hydrogen 2.893 N/A ARG 100.A NH1 ASP 88.A OD2 no hydrogen 3.070 N/A ARG 100.A NH1 ASN 91.A OD1 no hydrogen 3.238 N/A ARG 100.A NH2 ASP 88.A OD2 no hydrogen 3.479 N/A TYR 101.A N VAL 97.A O no hydrogen 3.188 N/A TYR 101.A N ALA 98.A O no hydrogen 3.102 N/A GLY 103.A N ALA 98.A O no hydrogen 3.048 N/A THR 106.A OG1 GLU 111.A OE1 no hydrogen 3.224 N/A GLY 110.A N GLU 108.A OE1 no hydrogen 2.774 N/A GLU 111.A N GLU 108.A OE2 no hydrogen 3.334 N/A ARG 112.A N GLU 108.A O no hydrogen 2.908 N/A ARG 112.A NE THR 106.A O no hydrogen 2.752 N/A ARG 112.A NH1 PHE 16.A O no hydrogen 2.652 N/A ARG 112.A NH2 THR 106.A O no hydrogen 3.479 N/A ALA 113.A N ALA 109.A O no hydrogen 3.022 N/A ALA 114.A N GLY 110.A O no hydrogen 2.689 N/A LEU 115.A N GLU 111.A O no hydrogen 2.787 N/A SER 116.A N ARG 112.A O no hydrogen 3.125 N/A SER 116.A OG VAL 14.A O no hydrogen 3.526 N/A SER 116.A OG ARG 112.A O no hydrogen 2.589 N/A GLU 117.A N ALA 113.A O no hydrogen 3.271 N/A LEU 119.A N LEU 115.A O no hydrogen 2.695 N/A PHE 120.A N SER 116.A O no hydrogen 2.744 N/A ALA 121.A N GLU 117.A O no hydrogen 3.007 N/A ASN 122.A N ARG 118.A O no hydrogen 3.164 N/A ASN 122.A ND2 TYR 101.A O no hydrogen 2.845 N/A LEU 123.A N PHE 120.A O no hydrogen 3.076 N/A TRP 124.A N PHE 120.A O no hydrogen 2.850 N/A GLY 125.A N ALA 121.A O no hydrogen 3.482 N/A GLU 128.A N GLY 125.A O no hydrogen 2.853 N/A GLU 130.A N LEU 127.A O no hydrogen 3.467 N/A ARG 132.A NH1 LEU 430.A O no hydrogen 2.949 N/A LEU 134.A N GLU 130.A O no hydrogen 2.893 N/A TRP 135.A N GLU 131.A O no hydrogen 2.865 N/A LEU 136.A N ARG 132.A O no hydrogen 3.078 N/A TYR 137.A N LEU 133.A O no hydrogen 3.245 N/A TYR 137.A OH ASP 78.A OD1 no hydrogen 2.815 N/A ARG 138.A N LEU 134.A O no hydrogen 3.093 N/A GLU 139.A N TRP 135.A O no hydrogen 2.950 N/A GLU 141.A N LEU 136.A O no hydrogen 2.973 N/A ARG 142.A N TYR 137.A O no hydrogen 3.135 N/A ARG 142.A NH1 ASP 78.A OD1 no hydrogen 2.406 N/A LEU 144.A N VAL 140.A O no hydrogen 3.022 N/A SER 145.A N GLU 141.A O no hydrogen 2.963 N/A SER 145.A OG ARG 142.A O no hydrogen 2.508 N/A ALA 146.A N PRO 143.A O no hydrogen 3.069 N/A VAL 147.A N PRO 143.A O no hydrogen 3.397 N/A LEU 148.A N LEU 144.A O no hydrogen 2.890 N/A ALA 149.A N SER 145.A O no hydrogen 3.252 N/A HIS 150.A N ALA 146.A O no hydrogen 2.948 N/A MET 151.A N VAL 147.A O no hydrogen 2.966 N/A GLU 152.A N LEU 148.A O no hydrogen 2.884 N/A ALA 153.A N ALA 149.A O no hydrogen 3.152 N/A THR 154.A N HIS 150.A O no hydrogen 3.119 N/A THR 154.A OG1 HIS 150.A O no hydrogen 2.820 N/A GLY 155.A N MET 151.A O no hydrogen 3.229 N/A VAL 156.A N LEU 267.A O no hydrogen 2.904 N/A ARG 157.A NH1 ALA 307.A O no hydrogen 2.843 N/A ASP 159.A N ALA 304.A O no hydrogen 2.766 N/A TYR 162.A N ASP 159.A OD1 no hydrogen 3.184 N/A TYR 162.A OH ARG 300.A O no hydrogen 2.502 N/A LEU 163.A N ASP 159.A O no hydrogen 3.101 N/A ARG 164.A N VAL 160.A O no hydrogen 2.737 N/A ARG 164.A NH1 ASP 258.A OD1 no hydrogen 3.161 N/A ALA 165.A N ALA 161.A O no hydrogen 3.072 N/A LEU 166.A N TYR 162.A O no hydrogen 3.071 N/A SER 167.A N LEU 163.A O no hydrogen 2.937 N/A SER 167.A OG ASP 254.A OD1 no hydrogen 2.883 N/A LEU 168.A N ARG 164.A O no hydrogen 3.352 N/A GLU 169.A N ALA 165.A O no hydrogen 3.096 N/A VAL 170.A N LEU 166.A O no hydrogen 2.823 N/A ALA 171.A N SER 167.A O no hydrogen 2.860 N/A GLU 172.A N GLU 169.A O no hydrogen 2.748 N/A GLU 173.A N GLU 169.A O no hydrogen 3.079 N/A ILE 174.A N VAL 170.A O no hydrogen 2.866 N/A ALA 175.A N ALA 171.A O no hydrogen 3.088 N/A ARG 176.A N GLU 172.A O no hydrogen 3.290 N/A LEU 177.A N GLU 173.A O no hydrogen 3.243 N/A GLU 178.A N ILE 174.A O no hydrogen 2.908 N/A ALA 179.A N ALA 175.A O no hydrogen 3.156 N/A GLU 180.A N ARG 176.A O no hydrogen 2.816 N/A VAL 181.A N LEU 177.A O no hydrogen 2.854 N/A PHE 182.A N GLU 178.A O no hydrogen 3.112 N/A ARG 183.A N ALA 179.A O no hydrogen 3.339 N/A ARG 183.A NH2 GLU 180.A OE1 no hydrogen 2.476 N/A LEU 184.A N GLU 180.A O no hydrogen 3.079 N/A ALA 185.A N VAL 181.A O no hydrogen 2.729 N/A GLY 186.A N ARG 183.A O no hydrogen 3.020 N/A HIS 187.A N PHE 182.A O no hydrogen 3.045 N/A HIS 187.A NE2 GLU 204.A OE2 no hydrogen 2.774 N/A ASN 190.A N GLN 196.A OE1 no hydrogen 3.083 N/A ASN 192.A N ASN 190.A OD1 no hydrogen 2.761 N/A SER 193.A N ASN 190.A O no hydrogen 3.114 N/A ARG 194.A NH1 ASP 195.A OD1 no hydrogen 2.910 N/A ARG 194.A NH1 GLU 198.A OE1 no hydrogen 3.009 N/A ARG 194.A NH2 ARG 219.A O no hydrogen 2.623 N/A GLN 196.A N SER 193.A OG no hydrogen 3.194 N/A LEU 197.A N SER 193.A O no hydrogen 2.847 N/A GLU 198.A N ARG 194.A O no hydrogen 2.913 N/A ARG 199.A N ASP 195.A O no hydrogen 3.211 N/A VAL 200.A N GLN 196.A O no hydrogen 3.099 N/A LEU 201.A N LEU 197.A O no hydrogen 2.763 N/A PHE 202.A N GLU 198.A O no hydrogen 2.896 N/A ASP 203.A N ARG 199.A O no hydrogen 3.109 N/A GLU 204.A N ARG 199.A O no hydrogen 2.873 N/A LEU 205.A N VAL 200.A O no hydrogen 2.874 N/A LEU 207.A N LEU 201.A O no hydrogen 3.397 N/A THR 213.A N LYS 218.A O no hydrogen 2.756 N/A THR 213.A OG1 THR 216.A OG1 no hydrogen 3.306 N/A THR 213.A OG1 LYS 218.A O no hydrogen 3.299 N/A THR 216.A OG1 THR 213.A OG1 no hydrogen 3.306 N/A GLY 217.A N THR 213.A O no hydrogen 3.237 N/A LYS 218.A N THR 213.A OG1 no hydrogen 2.855 N/A LYS 218.A NZ ASP 195.A OD1 no hydrogen 3.025 N/A ARG 219.A N GLU 198.A OE2 no hydrogen 3.071 N/A ARG 219.A NE GLU 198.A OE2 no hydrogen 2.689 N/A ARG 219.A NH1 ASP 203.A OD1 no hydrogen 2.554 N/A ARG 219.A NH2 ASP 203.A OD1 no hydrogen 3.058 N/A ARG 219.A NH2 ASP 203.A OD2 no hydrogen 3.217 N/A SER 220.A N GLY 211.A O no hydrogen 2.950 N/A SER 220.A OG SER 222.A OG no hydrogen 3.194 N/A SER 222.A N SER 220.A OG no hydrogen 3.150 N/A SER 222.A OG SER 220.A OG no hydrogen 3.194 N/A VAL 225.A N SER 222.A OG no hydrogen 3.417 N/A LEU 226.A N SER 222.A O no hydrogen 2.944 N/A GLU 227.A N ALA 223.A O no hydrogen 2.551 N/A LEU 229.A N VAL 225.A O no hydrogen 3.176 N/A LEU 229.A N LEU 226.A O no hydrogen 3.217 N/A ARG 230.A N GLU 227.A O no hydrogen 3.354 N/A ILE 235.A N HIS 233.A ND1 no hydrogen 3.478 N/A ILE 239.A N ILE 235.A O no hydrogen 2.951 N/A LEU 240.A N VAL 236.A O no hydrogen 2.878 N/A GLN 241.A N GLU 237.A O no hydrogen 2.888 N/A TYR 242.A N LYS 238.A O no hydrogen 2.823 N/A TYR 242.A OH ASN 192.A OD1 no hydrogen 2.932 N/A ARG 243.A N ILE 239.A O no hydrogen 3.033 N/A ARG 243.A NH1 THR 221.A O no hydrogen 2.930 N/A ARG 243.A NH2 THR 221.A O no hydrogen 3.214 N/A ARG 243.A NH2 THR 221.A OG1 no hydrogen 3.000 N/A GLU 244.A N LEU 240.A O no hydrogen 3.088 N/A LEU 245.A N GLN 241.A O no hydrogen 3.109 N/A THR 246.A N TYR 242.A O no hydrogen 2.944 N/A THR 246.A OG1 TYR 242.A O no hydrogen 2.506 N/A THR 246.A OG1 ARG 243.A O no hydrogen 3.452 N/A LYS 247.A N ARG 243.A O no hydrogen 2.846 N/A LEU 248.A N GLU 244.A O no hydrogen 3.204 N/A LYS 249.A N LEU 245.A O no hydrogen 2.635 N/A LYS 249.A NZ ASP 254.A OD1 no hydrogen 3.285 N/A LYS 249.A NZ ASP 254.A OD2 no hydrogen 2.860 N/A SER 250.A N THR 246.A O no hydrogen 2.707 N/A SER 250.A OG THR 246.A O no hydrogen 2.653 N/A SER 250.A OG LYS 247.A O no hydrogen 3.242 N/A THR 251.A N LYS 247.A O no hydrogen 2.823 N/A TYR 252.A N LEU 248.A O no hydrogen 3.250 N/A TYR 252.A OH ASN 290.A O no hydrogen 2.817 N/A TYR 252.A OH ASN 290.A OD1 no hydrogen 2.964 N/A ILE 253.A N LEU 248.A O no hydrogen 3.119 N/A ASP 254.A N LYS 249.A O no hydrogen 2.894 N/A LEU 256.A N TYR 252.A O no hydrogen 3.138 N/A ASP 258.A N PRO 255.A O no hydrogen 3.062 N/A LEU 259.A N LEU 256.A O no hydrogen 2.688 N/A HIS 261.A N ARG 266.A O no hydrogen 3.248 N/A THR 264.A N HIS 261.A O no hydrogen 2.998 N/A THR 264.A OG1 HIS 261.A O no hydrogen 3.465 N/A THR 264.A OG1 ARG 266.A O no hydrogen 3.530 N/A GLY 265.A N HIS 261.A O no hydrogen 2.687 N/A ARG 266.A N THR 264.A OG1 no hydrogen 3.001 N/A ARG 266.A NH1 GLY 155.A O no hydrogen 2.686 N/A ARG 266.A NH1 GLU 497.A OE1 no hydrogen 3.137 N/A ARG 266.A NH2 GLU 497.A OE1 no hydrogen 2.779 N/A ARG 266.A NH2 GLU 497.A OE2 no hydrogen 2.739 N/A LEU 267.A N VAL 156.A O no hydrogen 2.800 N/A ARG 270.A N SER 284.A O no hydrogen 2.935 N/A ARG 270.A NE ASP 285.A OD2 no hydrogen 3.326 N/A ARG 270.A NH1 ASP 62.A OD1 no hydrogen 3.486 N/A PHE 271.A N GLU 152.A OE1 no hydrogen 3.215 N/A ASN 272.A N SER 282.A O no hydrogen 3.030 N/A THR 274.A OG1 THR 92.A O no hydrogen 3.033 N/A THR 274.A OG1 THR 274.A O no hydrogen 2.357 N/A SER 282.A N ASN 272.A O no hydrogen 3.378 N/A SER 282.A OG ASN 272.A OD1 no hydrogen 3.327 N/A SER 283.A OG ASN 287.A OD1 no hydrogen 3.334 N/A SER 284.A N ARG 270.A O no hydrogen 2.971 N/A SER 284.A OG ASP 285.A OD2 no hydrogen 2.740 N/A LEU 288.A N SER 283.A OG no hydrogen 3.068 N/A GLN 289.A N ASN 287.A OD1 no hydrogen 2.760 N/A GLN 289.A NE2 LEU 281.A O no hydrogen 3.697 N/A THR 295.A OG1 GLU 244.A OE2 no hydrogen 3.447 N/A GLY 298.A N THR 295.A OG1 no hydrogen 3.041 N/A GLN 299.A N THR 295.A O no hydrogen 2.671 N/A GLN 299.A NE2 VAL 293.A O no hydrogen 3.377 N/A ARG 300.A N PRO 296.A O no hydrogen 2.898 N/A ARG 300.A NH1 GLU 169.A OE1 no hydrogen 3.047 N/A ILE 301.A N LEU 297.A O no hydrogen 3.136 N/A ARG 302.A N GLY 298.A O no hydrogen 3.291 N/A ARG 302.A NE PRO 292.A O no hydrogen 2.682 N/A ARG 302.A NH1 GLU 539.A OE2 no hydrogen 3.154 N/A ARG 302.A NH2 ILE 291.A O no hydrogen 2.654 N/A ARG 303.A N GLN 299.A O no hydrogen 3.373 N/A ARG 303.A N ARG 300.A O no hydrogen 3.278 N/A ALA 304.A N ILE 301.A O no hydrogen 2.950 N/A PHE 305.A N ARG 302.A O no hydrogen 3.069 N/A ILE 306.A N ARG 157.A O no hydrogen 2.930 N/A ALA 307.A N GLU 532.A O no hydrogen 3.064 N/A GLU 308.A N GLU 497.A OE2 no hydrogen 2.823 N/A TRP 311.A N GLU 308.A O no hydrogen 3.218 N/A LEU 312.A N ALA 498.A O no hydrogen 2.661 N/A LEU 313.A N GLY 531.A O no hydrogen 2.666 N/A VAL 314.A N LEU 496.A O no hydrogen 2.705 N/A ALA 315.A N GLY 529.A O no hydrogen 3.202 N/A LEU 316.A N LEU 494.A O no hydrogen 2.788 N/A ASP 317.A N GLU 527.A O no hydrogen 2.991 N/A TYR 318.A N ASP 492.A O no hydrogen 2.939 N/A TYR 318.A OH MET 514.A O no hydrogen 2.610 N/A SER 319.A N GLU 525.A O no hydrogen 3.089 N/A SER 319.A OG GLN 320.A OE1 no hydrogen 2.581 N/A ARG 324.A N GLN 320.A O no hydrogen 3.219 N/A ARG 324.A NE SER 319.A O no hydrogen 2.739 N/A ARG 324.A NH1 PRO 523.A O no hydrogen 3.064 N/A ARG 324.A NH2 SER 319.A O no hydrogen 3.416 N/A ARG 324.A NH2 SER 319.A OG no hydrogen 3.214 N/A ARG 324.A NH2 GLN 320.A OE1 no hydrogen 3.030 N/A VAL 325.A N ILE 321.A O no hydrogen 2.787 N/A LEU 326.A N GLU 322.A O no hydrogen 2.893 N/A ALA 327.A N LEU 323.A O no hydrogen 2.813 N/A HIS 328.A N ARG 324.A O no hydrogen 2.883 N/A LEU 329.A N VAL 325.A O no hydrogen 2.876 N/A SER 330.A N LEU 326.A O no hydrogen 2.682 N/A SER 330.A OG LEU 326.A O no hydrogen 2.808 N/A SER 330.A OG ALA 327.A O no hydrogen 3.392 N/A GLY 331.A N ALA 327.A O no hydrogen 3.005 N/A ASP 332.A N SER 330.A OG no hydrogen 3.406 N/A GLU 333.A N GLU 333.A OE1 no hydrogen 3.156 N/A LEU 335.A N ASP 332.A O no hydrogen 2.789 N/A LEU 335.A N ASP 332.A OD2 no hydrogen 3.251 N/A ILE 336.A N ASP 332.A O no hydrogen 3.048 N/A ARG 337.A N GLU 333.A O no hydrogen 3.231 N/A VAL 338.A N LEU 335.A O no hydrogen 3.251 N/A PHE 339.A N ILE 336.A O no hydrogen 3.118 N/A GLN 340.A N ILE 336.A O no hydrogen 2.843 N/A GLU 341.A N ARG 337.A O no hydrogen 3.009 N/A GLY 342.A N PHE 339.A O no hydrogen 3.281 N/A ARG 343.A N VAL 338.A O no hydrogen 3.219 N/A ARG 343.A NE GLU 348.A OE2 no hydrogen 2.965 N/A THR 347.A N ASP 344.A OD2 no hydrogen 3.392 N/A THR 347.A OG1 ASP 344.A OD2 no hydrogen 2.675 N/A GLU 348.A N ASP 344.A O no hydrogen 3.357 N/A THR 349.A N ILE 345.A O no hydrogen 2.730 N/A THR 349.A OG1 ILE 345.A O no hydrogen 2.397 N/A ALA 350.A N HIS 346.A O no hydrogen 3.026 N/A SER 351.A N THR 347.A O no hydrogen 2.995 N/A TRP 352.A N THR 349.A O no hydrogen 3.279 N/A MET 353.A N THR 349.A O no hydrogen 3.126 N/A PHE 354.A N ALA 350.A O no hydrogen 3.246 N/A ARG 366.A N ASP 362.A O no hydrogen 3.250 N/A ARG 366.A NE ASP 344.A OD2 no hydrogen 3.328 N/A ARG 366.A NH2 ASP 344.A OD1 no hydrogen 3.120 N/A ARG 366.A NH2 ASP 344.A OD2 no hydrogen 2.713 N/A ALA 369.A N MET 365.A O no hydrogen 2.909 N/A LYS 370.A N ARG 366.A O no hydrogen 2.975 N/A THR 371.A N ARG 367.A O no hydrogen 3.072 N/A THR 371.A OG1 ARG 367.A O no hydrogen 2.799 N/A ASN 373.A N ALA 369.A O no hydrogen 2.990 N/A ASN 373.A ND2 THR 349.A OG1 no hydrogen 2.896 N/A ASN 373.A ND2 ALA 369.A O no hydrogen 3.637 N/A PHE 374.A N LYS 370.A O no hydrogen 3.309 N/A GLY 375.A N THR 371.A O no hydrogen 2.948 N/A VAL 376.A N ILE 372.A O no hydrogen 2.812 N/A LEU 377.A N PHE 374.A O no hydrogen 3.026 N/A TYR 378.A N PHE 374.A O no hydrogen 3.323 N/A MET 380.A N GLY 375.A O no hydrogen 2.595 N/A SER 381.A OG GLY 379.A O no hydrogen 3.567 N/A ARG 384.A NE GLN 387.A OE1 no hydrogen 3.327 N/A LEU 385.A N SER 381.A O no hydrogen 2.844 N/A SER 386.A N ALA 382.A O no hydrogen 2.626 N/A SER 386.A OG ALA 382.A O no hydrogen 2.632 N/A GLN 387.A N HIS 383.A O no hydrogen 2.739 N/A GLN 387.A N ARG 384.A O no hydrogen 3.188 N/A GLU 388.A N ARG 384.A O no hydrogen 3.067 N/A GLU 388.A N LEU 385.A O no hydrogen 3.269 N/A LEU 389.A N LEU 385.A O no hydrogen 3.086 N/A ALA 396.A N PRO 392.A O no hydrogen 3.240 N/A ALA 398.A N GLU 394.A O no hydrogen 3.501 N/A PHE 399.A N GLU 395.A O no hydrogen 3.108 N/A ILE 400.A N ALA 396.A O no hydrogen 3.179 N/A GLU 401.A N GLN 397.A O no hydrogen 2.946 N/A ARG 402.A N ALA 398.A O no hydrogen 2.726 N/A TYR 403.A N PHE 399.A O no hydrogen 2.881 N/A TYR 403.A OH ASN 373.A OD1 no hydrogen 2.658 N/A PHE 404.A N ILE 400.A O no hydrogen 3.235 N/A GLN 405.A N GLU 401.A O no hydrogen 3.037 N/A SER 406.A N ARG 402.A O no hydrogen 2.802 N/A PHE 407.A N TYR 403.A O no hydrogen 2.876 N/A LYS 409.A N ASP 332.A OD1 no hydrogen 2.913 N/A LYS 409.A NZ GLU 333.A OE1 no hydrogen 2.644 N/A LYS 409.A NZ GLU 333.A OE2 no hydrogen 3.421 N/A VAL 410.A N PHE 407.A O no hydrogen 3.105 N/A ARG 411.A NH2 GLU 401.A OE1 no hydrogen 3.137 N/A ALA 412.A N PRO 408.A O no hydrogen 3.356 N/A TRP 413.A N LYS 409.A O no hydrogen 2.896 N/A LEU 414.A N VAL 410.A O no hydrogen 2.801 N/A GLU 415.A N ARG 411.A O no hydrogen 2.906 N/A LYS 416.A N ALA 412.A O no hydrogen 2.979 N/A THR 417.A N TRP 413.A O no hydrogen 2.903 N/A THR 417.A N LEU 414.A O no hydrogen 3.144 N/A THR 417.A OG1 TRP 413.A O no hydrogen 2.682 N/A THR 417.A OG1 LEU 414.A O no hydrogen 2.511 N/A LEU 418.A N LEU 414.A O no hydrogen 3.110 N/A GLU 419.A N GLU 415.A O no hydrogen 2.941 N/A GLU 420.A N LYS 416.A O no hydrogen 2.942 N/A GLY 421.A N THR 417.A O no hydrogen 2.683 N/A ARG 422.A N LEU 418.A O no hydrogen 3.050 N/A ARG 423.A N GLU 419.A O no hydrogen 3.001 N/A ARG 424.A N GLU 420.A O no hydrogen 2.706 N/A ARG 424.A NH1 GLU 428.A OE1 no hydrogen 3.549 N/A ARG 424.A NH1 GLU 428.A OE2 no hydrogen 3.329 N/A GLY 425.A N GLY 421.A O no hydrogen 2.500 N/A VAL 427.A N ARG 435.A O no hydrogen 2.998 N/A THR 429.A N ARG 433.A O no hydrogen 2.779 N/A THR 429.A OG1 ASP 466.A OD2 no hydrogen 2.620 N/A LEU 430.A N THR 463.A OG1 no hydrogen 2.954 N/A PHE 431.A N THR 429.A OG1 no hydrogen 3.188 N/A GLY 432.A N THR 429.A O no hydrogen 2.976 N/A ARG 433.A N THR 429.A OG1 no hydrogen 2.987 N/A ARG 433.A NE ASP 466.A OD1 no hydrogen 2.656 N/A ARG 433.A NH1 GLU 141.A OE1 no hydrogen 3.013 N/A ARG 433.A NH2 GLU 141.A OE1 no hydrogen 2.952 N/A ARG 433.A NH2 ASP 466.A OD1 no hydrogen 2.779 N/A ARG 434.A NH1 GLU 130.A OE1 no hydrogen 3.468 N/A ARG 434.A NH2 GLU 130.A OE2 no hydrogen 2.784 N/A ARG 435.A N VAL 427.A O no hydrogen 2.933 N/A VAL 437.A N GLY 425.A O no hydrogen 3.188 N/A LEU 440.A N VAL 437.A O no hydrogen 3.427 N/A ALA 442.A N ASP 439.A O no hydrogen 3.119 N/A ARG 448.A N VAL 444.A O no hydrogen 2.887 N/A ARG 448.A NH1 ALA 442.A O no hydrogen 2.806 N/A GLU 449.A N LYS 445.A O no hydrogen 2.676 N/A ALA 450.A N SER 446.A O no hydrogen 2.922 N/A ALA 451.A N VAL 447.A O no hydrogen 2.895 N/A GLU 452.A N ARG 448.A O no hydrogen 2.953 N/A ARG 453.A N GLU 449.A O no hydrogen 3.198 N/A MET 454.A N ALA 450.A O no hydrogen 3.264 N/A ALA 455.A N ALA 451.A O no hydrogen 2.806 N/A PHE 456.A N GLU 452.A O no hydrogen 2.973 N/A ASN 457.A N ARG 453.A O no hydrogen 3.113 N/A ASN 457.A ND2 LEU 377.A O no hydrogen 3.308 N/A MET 458.A N MET 454.A O no hydrogen 3.308 N/A GLN 461.A N ASN 457.A O no hydrogen 2.831 N/A GLY 462.A N MET 458.A O no hydrogen 2.824 N/A THR 463.A N PRO 459.A O no hydrogen 3.227 N/A THR 463.A OG1 PRO 459.A O no hydrogen 2.812 N/A ALA 464.A N VAL 460.A O no hydrogen 3.012 N/A ALA 465.A N GLN 461.A O no hydrogen 3.041 N/A ASP 466.A N GLY 462.A O no hydrogen 2.757 N/A LEU 467.A N THR 463.A O no hydrogen 2.855 N/A MET 468.A N ALA 464.A O no hydrogen 3.065 N/A LYS 469.A N ALA 465.A O no hydrogen 2.849 N/A LYS 469.A NZ GLU 141.A OE1 no hydrogen 2.760 N/A LYS 469.A NZ GLU 141.A OE2 no hydrogen 3.374 N/A LEU 470.A N ASP 466.A O no hydrogen 3.057 N/A ALA 471.A N LEU 467.A O no hydrogen 3.234 N/A MET 472.A N MET 468.A O no hydrogen 2.984 N/A VAL 473.A N LYS 469.A O no hydrogen 2.964 N/A LYS 474.A N LEU 470.A O no hydrogen 2.872 N/A LEU 475.A N ALA 471.A O no hydrogen 2.704 N/A PHE 476.A N MET 472.A O no hydrogen 3.068 N/A LEU 479.A N LEU 475.A O no hydrogen 3.180 N/A LEU 479.A N PHE 476.A O no hydrogen 2.713 N/A GLU 480.A N PHE 476.A O no hydrogen 3.014 N/A GLU 481.A N PRO 477.A O no hydrogen 3.042 N/A MET 482.A N LEU 479.A O no hydrogen 2.955 N/A GLY 483.A N GLU 480.A O no hydrogen 2.919 N/A ALA 484.A N LEU 479.A O no hydrogen 2.714 N/A ARG 485.A N GLU 497.A O no hydrogen 2.817 N/A ARG 485.A NH1 GLU 308.A OE2 no hydrogen 2.606 N/A ARG 485.A NH1 GLU 497.A OE1 no hydrogen 3.252 N/A ARG 485.A NH2 GLU 308.A OE2 no hydrogen 3.353 N/A LEU 487.A N VAL 495.A O no hydrogen 2.869 N/A LEU 488.A N VAL 495.A O no hydrogen 3.000 N/A VAL 490.A N GLU 493.A O no hydrogen 2.874 N/A HIS 491.A N GLN 489.A OE1 no hydrogen 2.763 N/A ASP 492.A N VAL 490.A O no hydrogen 2.727 N/A GLU 493.A N VAL 490.A O no hydrogen 3.330 N/A LEU 494.A N LEU 316.A O no hydrogen 2.679 N/A VAL 495.A N LEU 488.A O no hydrogen 2.764 N/A LEU 496.A N VAL 314.A O no hydrogen 2.792 N/A GLU 497.A N ARG 485.A O no hydrogen 3.027 N/A ALA 498.A N LEU 312.A O no hydrogen 2.885 N/A LYS 500.A N GLY 310.A O no hydrogen 2.964 N/A VAL 506.A N ARG 502.A O no hydrogen 2.900 N/A ALA 507.A N ALA 503.A O no hydrogen 3.017 N/A ARG 508.A N GLU 504.A O no hydrogen 3.111 N/A ALA 510.A N VAL 506.A O no hydrogen 2.753 N/A LYS 511.A N ALA 507.A O no hydrogen 2.808 N/A LYS 511.A NZ VAL 526.A O no hydrogen 3.518 N/A GLU 512.A N ARG 508.A O no hydrogen 3.162 N/A VAL 513.A N LEU 509.A O no hydrogen 2.985 N/A MET 514.A N ALA 510.A O no hydrogen 3.162 N/A MET 514.A N LYS 511.A O no hydrogen 3.009 N/A GLU 515.A N LYS 511.A O no hydrogen 2.920 N/A GLY 516.A N GLU 512.A O no hydrogen 3.086 N/A VAL 517.A N MET 514.A O no hydrogen 3.480 N/A ALA 521.A N HIS 328.A ND1 no hydrogen 3.220 N/A VAL 526.A N GLU 515.A OE2 no hydrogen 3.414 N/A GLU 527.A N ASP 317.A O no hydrogen 2.859 N/A GLY 529.A N ALA 315.A O no hydrogen 3.064 N/A GLY 531.A N LEU 313.A O no hydrogen 3.045 N/A TRP 534.A N PHE 305.A O no hydrogen 2.982 N/A SER 536.A N ASP 533.A OD1 no hydrogen 2.511 N/A SER 536.A OG ASP 533.A OD1 no hydrogen 2.982 N/A SER 536.A OG ASP 533.A OD2 no hydrogen 2.904 N/A ALA 537.A N ASP 533.A O no hydrogen 2.728 N/A LYS 538.A N LEU 535.A O no hydrogen 2.942 N/A