Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG TRP 213.A O no hydrogen 2.557 N/A VAL 11.A N ASP 122.A OD2 no hydrogen 3.184 N/A LYS 12.A N GLN 86.A OE1 no hydrogen 3.077 N/A LYS 14.A N ARG 84.A O no hydrogen 2.891 N/A LYS 14.A NZ LYS 83.A O no hydrogen 3.166 N/A GLY 19.A N ASP 18.A OD2 no hydrogen 2.868 N/A VAL 22.A N ASN 58.A O no hydrogen 3.059 N/A GLN 24.A NE2 TRP 25.A O no hydrogen 3.145 N/A GLN 24.A NE2 VAL 61.A O no hydrogen 2.869 N/A THR 28.A OG1 GLU 30.A OE2 no hydrogen 3.107 N/A LYS 31.A NZ ALA 63.A O no hydrogen 2.730 N/A ILE 32.A N THR 28.A O no hydrogen 2.912 N/A LYS 33.A N GLU 29.A O no hydrogen 2.793 N/A LYS 33.A NZ GLU 37.A OE2 no hydrogen 2.601 N/A ALA 34.A N GLU 30.A O no hydrogen 2.923 N/A LEU 35.A N LYS 31.A O no hydrogen 2.990 N/A VAL 36.A N ILE 32.A O no hydrogen 3.203 N/A GLU 37.A N LYS 33.A O no hydrogen 3.069 N/A ILE 38.A N ALA 34.A O no hydrogen 2.888 N/A CYS 39.A N LEU 35.A O no hydrogen 2.732 N/A CYS 39.A SG LEU 35.A O no hydrogen 3.551 N/A THR 40.A N VAL 36.A O no hydrogen 3.140 N/A GLU 41.A N GLU 37.A O no hydrogen 3.505 N/A MET 42.A N ILE 38.A O no hydrogen 3.195 N/A GLU 43.A N CYS 39.A O no hydrogen 2.695 N/A LYS 44.A N THR 40.A O no hydrogen 2.737 N/A GLU 45.A N GLU 41.A O no hydrogen 2.945 N/A GLY 46.A N GLU 43.A O no hydrogen 2.918 N/A LYS 47.A NZ SER 1.A O no hydrogen 3.546 N/A ILE 48.A N MET 42.A O no hydrogen 3.431 N/A SER 49.A N GLN 146.A O no hydrogen 2.980 N/A SER 49.A OG ASN 148.A OD1 no hydrogen 3.117 N/A LYS 50.A NZ GLU 43.A OE1 no hydrogen 3.220 N/A LYS 50.A NZ GLU 43.A OE2 no hydrogen 2.421 N/A ILE 51.A N ARG 144.A O no hydrogen 2.756 N/A ASN 55.A N GLU 54.A OE1 no hydrogen 3.270 N/A ASN 55.A ND2 LYS 127.A O no hydrogen 2.898 N/A TYR 57.A N ASN 55.A OD1 no hydrogen 2.556 N/A TYR 57.A OH ASP 18.A OD2 no hydrogen 2.701 N/A ASN 58.A N PRO 20.A O no hydrogen 3.038 N/A THR 59.A N ALA 130.A O no hydrogen 2.937 N/A VAL 61.A N GLN 24.A OE1 no hydrogen 2.754 N/A PHE 62.A N LEU 75.A O no hydrogen 2.654 N/A ILE 64.A N ARG 73.A O no hydrogen 2.964 N/A LYS 65.A NZ SER 69.A O no hydrogen 3.089 N/A LYS 65.A NZ THR 70.A OG1 no hydrogen 3.092 N/A ARG 73.A N ILE 64.A O no hydrogen 2.824 N/A LYS 74.A NZ TYR 147.A OH no hydrogen 2.852 N/A LEU 75.A N PHE 62.A O no hydrogen 2.793 N/A ASP 77.A N PRO 60.A O no hydrogen 3.201 N/A ARG 79.A NE ASP 77.A OD1 no hydrogen 3.174 N/A ARG 79.A NE ASP 77.A OD2 no hydrogen 3.367 N/A ASN 82.A N PHE 78.A O no hydrogen 2.611 N/A ASN 82.A ND2 GLY 153.A O no hydrogen 2.883 N/A LYS 83.A N ARG 79.A O no hydrogen 2.969 N/A LYS 83.A NZ GLU 80.A OE1 no hydrogen 3.425 N/A ARG 84.A N LEU 81.A O no hydrogen 3.036 N/A ARG 84.A NE GLU 80.A OE1 no hydrogen 2.573 N/A ARG 84.A NH1 ASP 18.A O no hydrogen 2.780 N/A ARG 84.A NH2 GLU 80.A OE1 no hydrogen 2.617 N/A THR 85.A OG1 LEU 81.A O no hydrogen 2.831 N/A GLN 86.A N LYS 12.A O no hydrogen 3.102 N/A GLN 86.A NE2 ASP 87.A O no hydrogen 3.123 N/A HIS 97.A NE2 GLN 270.A OE1 no hydrogen 2.937 N/A ALA 99.A N HIS 97.A ND1 no hydrogen 3.119 N/A GLY 100.A N HIS 97.A O no hydrogen 2.819 N/A LEU 101.A N PRO 98.A O no hydrogen 2.954 N/A LYS 105.A N ASP 193.A OD2 no hydrogen 2.697 N/A SER 106.A N SER 192.A O no hydrogen 3.082 N/A THR 108.A N VAL 190.A O no hydrogen 2.645 N/A LEU 110.A N LEU 188.A O no hydrogen 3.064 N/A VAL 112.A N ASP 186.A O no hydrogen 3.121 N/A GLY 113.A N THR 216.A O no hydrogen 3.056 N/A SER 118.A N ASP 114.A O no hydrogen 3.169 N/A SER 118.A N ALA 115.A O no hydrogen 3.047 N/A SER 118.A OG PRO 2.A O no hydrogen 3.413 N/A SER 118.A OG GLY 113.A O no hydrogen 3.505 N/A SER 118.A OG ASP 114.A O no hydrogen 3.438 N/A VAL 119.A N TYR 116.A O no hydrogen 3.352 N/A LEU 121.A N ASN 148.A O no hydrogen 2.775 N/A PHE 125.A N ASP 122.A O no hydrogen 2.570 N/A ARG 126.A N ASP 122.A O no hydrogen 3.278 N/A ARG 126.A N GLU 123.A O no hydrogen 3.302 N/A ARG 126.A NE LEU 121.A O no hydrogen 2.714 N/A ARG 126.A NH2 LEU 121.A O no hydrogen 3.133 N/A TYR 128.A N PHE 125.A O no hydrogen 2.870 N/A THR 129.A N ARG 126.A O no hydrogen 2.699 N/A THR 129.A OG1 ARG 126.A O no hydrogen 2.438 N/A ALA 130.A N LYS 127.A O no hydrogen 3.454 N/A PHE 131.A N TYR 145.A O no hydrogen 2.912 N/A ILE 133.A N ILE 143.A O no hydrogen 2.860 N/A SER 135.A OG GLU 139.A O no hydrogen 2.251 N/A SER 135.A OG THR 140.A O no hydrogen 2.955 N/A ILE 143.A N ILE 133.A O no hydrogen 2.736 N/A ARG 144.A NH1 TYR 57.A O no hydrogen 2.738 N/A ARG 144.A NH1 THR 132.A OG1 no hydrogen 3.189 N/A ARG 144.A NH2 TYR 57.A O no hydrogen 3.198 N/A TYR 145.A N PHE 131.A O no hydrogen 3.164 N/A GLN 146.A N SER 49.A O no hydrogen 2.840 N/A TYR 147.A N THR 129.A OG1 no hydrogen 2.793 N/A ASN 148.A N LYS 47.A O no hydrogen 3.230 N/A LEU 150.A N VAL 119.A O no hydrogen 3.074 N/A TRP 154.A N PRO 151.A O no hydrogen 3.506 N/A TRP 154.A NE1 THR 85.A OG1 no hydrogen 3.000 N/A LYS 155.A N ASN 82.A OD1 no hydrogen 2.758 N/A LYS 155.A NZ THR 85.A O no hydrogen 3.022 N/A LYS 155.A NZ GLN 86.A O no hydrogen 2.886 N/A LYS 155.A NZ ASP 87.A OD2 no hydrogen 2.600 N/A SER 157.A N TRP 154.A O no hydrogen 3.156 N/A SER 157.A OG PRO 151.A O no hydrogen 2.885 N/A SER 157.A OG TRP 154.A O no hydrogen 3.488 N/A ILE 160.A N GLY 156.A O no hydrogen 3.113 N/A PHE 161.A N SER 157.A O no hydrogen 2.965 N/A GLN 162.A N PRO 158.A O no hydrogen 3.208 N/A GLN 162.A NE2 ALA 159.A O no hydrogen 3.640 N/A SER 163.A N ALA 159.A O no hydrogen 2.731 N/A SER 164.A N ILE 160.A O no hydrogen 2.631 N/A SER 164.A OG ILE 160.A O no hydrogen 2.876 N/A MET 165.A N PHE 161.A O no hydrogen 2.732 N/A THR 166.A N GLN 162.A O no hydrogen 2.998 N/A THR 166.A OG1 GLN 162.A O no hydrogen 3.292 N/A LYS 167.A N SER 163.A O no hydrogen 3.193 N/A ILE 168.A N SER 164.A O no hydrogen 2.938 N/A LEU 169.A N MET 165.A O no hydrogen 3.027 N/A LEU 169.A N THR 166.A O no hydrogen 2.890 N/A GLU 170.A N THR 166.A O no hydrogen 2.853 N/A ARG 173.A N LEU 169.A O no hydrogen 2.992 N/A ARG 173.A NH1 GLN 183.A OE1 no hydrogen 3.253 N/A ARG 173.A NH2 ILE 181.A O no hydrogen 3.391 N/A ARG 173.A NH2 GLN 183.A OE1 no hydrogen 2.845 N/A LYS 174.A N GLU 170.A O no hydrogen 2.966 N/A GLN 175.A N PRO 171.A O no hydrogen 3.018 N/A ILE 179.A N ASN 176.A O no hydrogen 2.895 N/A VAL 180.A N GLY 191.A O no hydrogen 3.186 N/A TYR 182.A N TYR 189.A O no hydrogen 2.679 N/A GLN 183.A NE2 THR 166.A OG1 no hydrogen 3.205 N/A TYR 184.A N ASP 187.A O no hydrogen 3.063 N/A ASP 187.A N TYR 184.A O no hydrogen 2.740 N/A LEU 188.A N LEU 110.A O no hydrogen 2.641 N/A TYR 189.A N TYR 182.A O no hydrogen 2.843 N/A VAL 190.A N THR 108.A O no hydrogen 3.022 N/A GLY 191.A N VAL 180.A O no hydrogen 3.085 N/A SER 192.A N SER 106.A O no hydrogen 2.952 N/A LEU 194.A N SER 192.A OG no hydrogen 3.430 N/A GLN 198.A N GLN 198.A OE1 no hydrogen 2.618 N/A HIS 199.A N ILE 196.A O no hydrogen 2.992 N/A ARG 200.A N ILE 196.A O no hydrogen 3.109 N/A ARG 200.A N GLY 197.A O no hydrogen 3.118 N/A LYS 202.A N GLN 198.A O no hydrogen 3.048 N/A LYS 202.A NZ GLU 205.A OE2 no hydrogen 2.871 N/A ILE 203.A N HIS 199.A O no hydrogen 2.564 N/A GLU 204.A N ARG 200.A O no hydrogen 2.755 N/A GLU 205.A N THR 201.A O no hydrogen 2.817 N/A LEU 206.A N LYS 202.A O no hydrogen 3.009 N/A ARG 207.A N ILE 203.A O no hydrogen 2.823 N/A ARG 207.A NH1 GLU 204.A OE2 no hydrogen 3.223 N/A ARG 207.A NH2 THR 217.A O no hydrogen 2.918 N/A GLN 208.A N GLU 204.A O no hydrogen 2.924 N/A HIS 209.A N GLU 205.A O no hydrogen 3.045 N/A HIS 209.A NE2 ILE 168.A O no hydrogen 2.785 N/A LEU 210.A N LEU 206.A O no hydrogen 2.852 N/A LEU 211.A N ARG 207.A O no hydrogen 2.707 N/A ARG 212.A N GLN 208.A O no hydrogen 2.683 N/A ARG 212.A NH1 ARG 212.A O no hydrogen 3.499 N/A TRP 213.A N LEU 210.A O no hydrogen 2.862 N/A GLY 214.A N LEU 211.A O no hydrogen 3.144 N/A LEU 215.A N LEU 210.A O no hydrogen 3.077 N/A LYS 221.A NZ ASP 219.A OD1 no hydrogen 3.468 N/A HIS 222.A N ASP 219.A O no hydrogen 2.625 N/A TRP 230.A N TYR 233.A O no hydrogen 3.085 N/A TYR 233.A N TRP 230.A O no hydrogen 2.578 N/A TYR 233.A OH GLN 270.A OE1 no hydrogen 2.672 N/A GLU 234.A N THR 241.A O no hydrogen 2.708 N/A LEU 235.A N PHE 228.A O no hydrogen 3.108 N/A HIS 236.A N LYS 239.A O no hydrogen 2.746 N/A TRP 240.A N GLY 317.A O no hydrogen 2.837 N/A THR 241.A N GLU 234.A O no hydrogen 3.066 N/A THR 241.A OG1 VAL 242.A O no hydrogen 3.517 N/A THR 241.A OG1 VAL 315.A O no hydrogen 2.916 N/A GLN 243.A N GLY 232.A O no hydrogen 2.868 N/A GLN 243.A NE2 TYR 233.A O no hydrogen 3.104 N/A LYS 250.A NZ ASP 257.A OD1 no hydrogen 3.160 N/A THR 254.A N ASP 257.A OD1 no hydrogen 3.338 N/A VAL 255.A N GLU 292.A O no hydrogen 2.811 N/A ASN 256.A N LEU 290.A O no hydrogen 3.235 N/A ASP 257.A N THR 254.A OG1 no hydrogen 3.298 N/A ILE 258.A N THR 254.A O no hydrogen 3.131 N/A ILE 258.A N VAL 255.A O no hydrogen 3.218 N/A GLN 259.A N VAL 255.A O no hydrogen 2.876 N/A LYS 260.A N ASN 256.A O no hydrogen 3.177 N/A LEU 261.A N ASP 257.A O no hydrogen 2.967 N/A VAL 262.A N ILE 258.A O no hydrogen 2.794 N/A GLY 263.A N GLN 259.A O no hydrogen 3.181 N/A LYS 264.A N LYS 260.A O no hydrogen 2.985 N/A LEU 265.A N LEU 261.A O no hydrogen 2.928 N/A ASN 266.A N VAL 262.A O no hydrogen 2.990 N/A TRP 267.A N GLY 263.A O no hydrogen 3.190 N/A ALA 268.A N LYS 264.A O no hydrogen 2.834 N/A SER 269.A N LEU 265.A O no hydrogen 2.750 N/A SER 269.A N ASN 266.A O no hydrogen 3.042 N/A SER 269.A OG ASN 266.A O no hydrogen 2.761 N/A GLN 270.A N TRP 267.A O no hydrogen 3.329 N/A GLN 270.A NE2 TRP 267.A O no hydrogen 3.176 N/A ILE 271.A N ALA 268.A O no hydrogen 3.324 N/A TYR 272.A N ALA 268.A O no hydrogen 3.085 N/A LYS 276.A N ASN 307.A OD1 no hydrogen 3.111 N/A LYS 276.A NZ GLU 306.A OE1 no hydrogen 2.911 N/A GLN 279.A N GLU 303.A OE2 no hydrogen 2.904 N/A LEU 280.A N GLU 303.A OE1 no hydrogen 2.696 N/A CYS 281.A N VAL 277.A O no hydrogen 2.840 N/A LYS 282.A N ARG 278.A O no hydrogen 2.716 N/A LEU 283.A N GLN 279.A O no hydrogen 3.377 N/A LEU 283.A N LEU 280.A O no hydrogen 3.097 N/A LEU 284.A N CYS 281.A O no hydrogen 2.614 N/A THR 287.A OG1 LEU 284.A O no hydrogen 3.027 N/A GLU 292.A N ALA 289.A O no hydrogen 3.393 N/A ILE 294.A N TRP 253.A O no hydrogen 2.483 N/A GLU 299.A N GLU 299.A OE2 no hydrogen 1.652 N/A GLU 301.A N THR 297.A O no hydrogen 2.855 N/A GLU 301.A N GLU 298.A O no hydrogen 3.148 N/A LEU 302.A N GLU 298.A O no hydrogen 2.950 N/A GLU 303.A N GLU 299.A O no hydrogen 2.699 N/A LEU 304.A N ALA 300.A O no hydrogen 2.773 N/A ALA 305.A N GLU 301.A O no hydrogen 2.750 N/A GLU 306.A N LEU 302.A O no hydrogen 2.738 N/A ASN 307.A N GLU 303.A O no hydrogen 2.992 N/A ASN 307.A ND2 LYS 276.A O no hydrogen 2.577 N/A ARG 308.A N LEU 304.A O no hydrogen 2.965 N/A ARG 308.A NH2 LEU 247.A O no hydrogen 2.561 N/A ARG 308.A NH2 PRO 248.A O no hydrogen 2.973 N/A GLU 309.A N ALA 305.A O no hydrogen 3.028 N/A ILE 310.A N GLU 306.A O no hydrogen 3.187 N/A LEU 311.A N ASN 307.A O no hydrogen 3.040 N/A LYS 312.A N GLU 309.A O no hydrogen 3.101 N/A VAL 315.A N TYR 272.A OH no hydrogen 3.454 N/A GLY 317.A N TRP 240.A O no hydrogen 2.704 N/A VAL 318.A N ASN 349.A O no hydrogen 3.034 N/A TYR 319.A OH HIS 236.A O no hydrogen 2.748 N/A TYR 320.A N LEU 101.A O no hydrogen 2.882 N/A ASP 321.A N GLN 344.A OE1 no hydrogen 2.859 N/A SER 323.A N ASP 321.A OD1 no hydrogen 2.769 N/A SER 323.A OG ASP 321.A OD1 no hydrogen 2.699 N/A SER 323.A OG ASP 321.A OD2 no hydrogen 3.305 N/A LYS 324.A N ASP 321.A O no hydrogen 3.194 N/A ILE 327.A N TYR 343.A O no hydrogen 2.851 N/A ALA 328.A N LYS 389.A O no hydrogen 2.974 N/A GLU 329.A N GLN 341.A O no hydrogen 3.001 N/A ILE 330.A N LYS 391.A O no hydrogen 3.344 N/A GLN 331.A N THR 339.A O no hydrogen 2.811 N/A LYS 332.A NZ ASP 365.A OD1 no hydrogen 2.462 N/A LYS 332.A NZ ASP 365.A OD2 no hydrogen 3.360 N/A GLN 333.A N GLN 337.A O no hydrogen 2.625 N/A GLY 334.A N GLN 337.A O no hydrogen 3.230 N/A GLN 337.A N GLY 334.A O no hydrogen 2.575 N/A TRP 338.A N TYR 355.A O no hydrogen 2.655 N/A TRP 338.A NE1 GLN 368.A OE1 no hydrogen 2.545 N/A THR 339.A N GLN 331.A O no hydrogen 3.011 N/A TYR 340.A N GLY 353.A O no hydrogen 2.927 N/A TYR 340.A OH GLU 379.A OE1 no hydrogen 3.172 N/A TYR 340.A OH GLU 379.A OE2 no hydrogen 3.326 N/A GLN 341.A N GLU 329.A O no hydrogen 3.051 N/A ILE 342.A N LYS 351.A O no hydrogen 2.809 N/A TYR 343.A N ILE 327.A O no hydrogen 2.991 N/A TYR 343.A OH GLU 329.A OE1 no hydrogen 2.713 N/A GLN 344.A NE2 ASP 321.A O no hydrogen 2.715 N/A GLN 344.A NE2 LYS 324.A O no hydrogen 3.418 N/A GLN 344.A NE2 ASP 325.A O no hydrogen 3.087 N/A LYS 348.A N GLU 345.A O no hydrogen 2.883 N/A LEU 350.A N ILE 342.A O no hydrogen 2.689 N/A LYS 351.A N ILE 342.A O no hydrogen 3.334 N/A LYS 351.A NZ GLU 379.A OE2 no hydrogen 2.645 N/A THR 352.A N GLN 270.A O no hydrogen 2.854 N/A THR 352.A OG1 SER 269.A O no hydrogen 2.780 N/A GLY 353.A N TYR 340.A O no hydrogen 3.162 N/A LYS 354.A NZ ASN 266.A OD1 no hydrogen 2.639 N/A TYR 355.A N TRP 338.A O no hydrogen 2.852 N/A TYR 355.A OH GLU 371.A OE2 no hydrogen 2.590 N/A HIS 362.A ND1 SER 514.A OG no hydrogen 3.332 N/A THR 363.A N GLN 513.A O no hydrogen 3.132 N/A ASN 364.A ND2 ALA 509.A O no hydrogen 2.943 N/A ASN 364.A ND2 GLN 510.A O no hydrogen 3.179 N/A ASP 365.A N ASP 512.A OD1 no hydrogen 2.875 N/A LYS 367.A N ASN 364.A OD1 no hydrogen 2.995 N/A GLN 368.A N ASN 364.A O no hydrogen 3.047 N/A LEU 369.A N ASP 365.A O no hydrogen 2.885 N/A THR 370.A N VAL 366.A O no hydrogen 3.232 N/A GLU 371.A N LYS 367.A O no hydrogen 3.066 N/A ALA 372.A N GLN 368.A O no hydrogen 2.849 N/A VAL 373.A N LEU 369.A O no hydrogen 2.977 N/A GLN 374.A N THR 370.A O no hydrogen 3.136 N/A LYS 375.A N GLU 371.A O no hydrogen 3.034 N/A ILE 376.A N ALA 372.A O no hydrogen 2.889 N/A THR 377.A N VAL 373.A O no hydrogen 2.777 N/A THR 377.A OG1 VAL 373.A O no hydrogen 2.779 N/A THR 378.A N GLN 374.A O no hydrogen 2.982 N/A THR 378.A OG1 GLN 374.A O no hydrogen 3.549 N/A GLU 379.A N LYS 375.A O no hydrogen 3.062 N/A SER 380.A N ILE 376.A O no hydrogen 3.022 N/A SER 380.A OG ILE 376.A O no hydrogen 3.364 N/A ILE 381.A N THR 377.A O no hydrogen 3.189 N/A VAL 382.A N THR 378.A O no hydrogen 3.056 N/A ILE 383.A N GLU 379.A O no hydrogen 2.870 N/A TRP 384.A N SER 380.A O no hydrogen 2.604 N/A TRP 384.A NE1 ALA 99.A O no hydrogen 2.847 N/A GLY 385.A N SER 380.A O no hydrogen 3.232 N/A GLY 385.A N ILE 381.A O no hydrogen 2.888 N/A LYS 386.A NZ LYS 324.A O no hydrogen 3.139 N/A LYS 389.A N LEU 326.A O no hydrogen 2.768 N/A PHE 390.A N GLU 414.A O no hydrogen 2.770 N/A LYS 391.A N ALA 328.A O no hydrogen 2.759 N/A LEU 392.A N GLU 416.A O no hydrogen 2.993 N/A LYS 396.A NZ TRP 415.A O no hydrogen 2.880 N/A TRP 399.A N GLN 395.A O no hydrogen 3.164 N/A GLU 400.A N LYS 396.A O no hydrogen 2.847 N/A THR 401.A N GLU 397.A O no hydrogen 2.788 N/A THR 401.A OG1 GLU 397.A O no hydrogen 3.393 N/A TRP 402.A N THR 398.A O no hydrogen 2.964 N/A TRP 403.A N TRP 399.A O no hydrogen 2.860 N/A THR 404.A N GLU 400.A O no hydrogen 3.259 N/A GLU 405.A N THR 401.A O no hydrogen 3.259 N/A GLU 405.A N TRP 402.A O no hydrogen 3.178 N/A TYR 406.A N TRP 402.A O no hydrogen 3.037 N/A TYR 406.A N TRP 403.A O no hydrogen 3.346 N/A GLU 416.A N PHE 390.A O no hydrogen 3.001 N/A VAL 418.A N LEU 392.A O no hydrogen 2.932 N/A THR 420.A N VAL 418.A O no hydrogen 3.074 N/A THR 420.A OG1 THR 420.A O no hydrogen 2.525 N/A VAL 424.A N PRO 393.A O no hydrogen 2.802 N/A TYR 428.A OH PRO 511.A O no hydrogen 2.852 N/A GLU 431.A N VAL 532.A O no hydrogen 2.864 N/A LYS 432.A NZ GLU 405.A OE1 no hydrogen 3.279 N/A ILE 435.A N ASN 495.A OD1 no hydrogen 2.536 N/A THR 440.A N ASN 461.A OD1 no hydrogen 3.266 N/A PHE 441.A N ASN 495.A O no hydrogen 2.769 N/A TYR 442.A N VAL 459.A O no hydrogen 2.953 N/A VAL 443.A N VAL 497.A O no hydrogen 3.145 N/A ASP 444.A N GLY 457.A O no hydrogen 3.006 N/A ALA 446.A N LYS 455.A O no hydrogen 3.156 N/A ASN 448.A N LEU 453.A O no hydrogen 2.951 N/A ASN 448.A ND2 ILE 557.A O no hydrogen 2.973 N/A ARG 449.A NH1 ASN 475.A OD1 no hydrogen 3.476 N/A GLU 450.A N ASN 448.A OD1 no hydrogen 2.740 N/A THR 451.A N ASN 448.A OD1 no hydrogen 3.371 N/A LYS 452.A N ASN 448.A O no hydrogen 2.639 N/A LEU 453.A N THR 451.A OG1 no hydrogen 2.778 N/A GLY 454.A N LEU 470.A O no hydrogen 2.665 N/A LYS 455.A N ALA 446.A O no hydrogen 3.080 N/A LYS 455.A NZ ALA 555.A O no hydrogen 2.525 N/A ALA 456.A N VAL 468.A O no hydrogen 2.833 N/A GLY 457.A N ASP 444.A O no hydrogen 3.137 N/A TYR 458.A N LYS 466.A O no hydrogen 2.928 N/A TYR 458.A OH ASP 489.A OD2 no hydrogen 2.605 N/A VAL 459.A N TYR 442.A O no hydrogen 3.008 N/A THR 460.A N ARG 464.A O no hydrogen 3.022 N/A THR 460.A OG1 GLU 439.A OE1 no hydrogen 2.270 N/A ARG 462.A N THR 460.A OG1 no hydrogen 3.017 N/A ARG 464.A NH1 ASP 489.A O no hydrogen 3.456 N/A ARG 464.A NH2 GLU 439.A OE2 no hydrogen 2.971 N/A ARG 464.A NH2 ASP 489.A O no hydrogen 2.720 N/A LYS 466.A N TYR 458.A O no hydrogen 3.171 N/A VAL 468.A N ALA 456.A O no hydrogen 2.482 N/A LEU 470.A N GLY 454.A O no hydrogen 2.604 N/A THR 473.A N LYS 452.A O no hydrogen 2.908 N/A LYS 477.A N THR 474.A OG1 no hydrogen 3.001 N/A THR 478.A N THR 474.A O no hydrogen 2.838 N/A THR 478.A OG1 THR 474.A O no hydrogen 3.395 N/A THR 478.A OG1 ASN 475.A O no hydrogen 2.990 N/A GLU 479.A N ASN 475.A O no hydrogen 3.016 N/A GLU 479.A N GLN 476.A O no hydrogen 3.252 N/A LEU 480.A N GLN 476.A O no hydrogen 3.269 N/A LEU 480.A N LYS 477.A O no hydrogen 3.226 N/A GLN 481.A N LYS 477.A O no hydrogen 3.006 N/A ALA 482.A N THR 478.A O no hydrogen 3.000 N/A TYR 484.A N LEU 480.A O no hydrogen 2.820 N/A LEU 485.A N GLN 481.A O no hydrogen 2.865 N/A ALA 486.A N ALA 482.A O no hydrogen 3.247 N/A LEU 487.A N ILE 483.A O no hydrogen 3.181 N/A LEU 487.A N TYR 484.A O no hydrogen 3.242 N/A GLN 488.A N TYR 484.A O no hydrogen 2.979 N/A GLN 488.A N LEU 485.A O no hydrogen 2.518 N/A ASP 489.A N LEU 485.A O no hydrogen 3.041 N/A SER 490.A OG ALA 486.A O no hydrogen 2.705 N/A VAL 494.A N LYS 531.A O no hydrogen 3.179 N/A ASN 495.A N GLU 439.A O no hydrogen 3.102 N/A ASN 495.A ND2 ILE 435.A O no hydrogen 3.164 N/A ASN 495.A ND2 ALA 438.A O no hydrogen 3.442 N/A ILE 496.A N TYR 533.A O no hydrogen 2.772 N/A VAL 497.A N PHE 441.A O no hydrogen 2.854 N/A THR 498.A N ALA 535.A O no hydrogen 2.980 N/A SER 500.A N THR 498.A OG1 no hydrogen 2.569 N/A SER 500.A OG GLU 479.A OE1 no hydrogen 3.134 N/A ALA 503.A N SER 500.A OG no hydrogen 3.017 N/A LEU 504.A N SER 500.A O no hydrogen 2.915 N/A GLY 505.A N GLN 501.A O no hydrogen 2.743 N/A ILE 506.A N TYR 502.A O no hydrogen 3.146 N/A ILE 507.A N ALA 503.A O no hydrogen 2.835 N/A GLN 508.A N LEU 504.A O no hydrogen 2.675 N/A ALA 509.A N ILE 506.A O no hydrogen 3.343 N/A GLN 510.A N ILE 507.A O no hydrogen 2.979 N/A ASP 512.A N THR 363.A O no hydrogen 3.002 N/A GLN 513.A N THR 363.A O no hydrogen 3.241 N/A SER 514.A OG HIS 362.A ND1 no hydrogen 3.332 N/A GLU 515.A N ALA 361.A O no hydrogen 3.342 N/A SER 516.A N SER 514.A OG no hydrogen 2.677 N/A VAL 519.A N SER 516.A OG no hydrogen 2.876 N/A ASN 520.A N SER 516.A O no hydrogen 3.025 N/A GLN 521.A N GLU 517.A O no hydrogen 3.096 N/A ILE 522.A N LEU 518.A O no hydrogen 3.018 N/A ILE 523.A N VAL 519.A O no hydrogen 3.037 N/A GLU 524.A N ASN 520.A O no hydrogen 2.966 N/A GLN 525.A N GLN 521.A O no hydrogen 3.014 N/A LEU 526.A N ILE 522.A O no hydrogen 3.017 N/A ILE 527.A N ILE 523.A O no hydrogen 2.927 N/A LYS 528.A N GLU 524.A O no hydrogen 2.928 N/A LYS 529.A N GLN 525.A O no hydrogen 2.894 N/A LYS 529.A NZ LEU 487.A O no hydrogen 2.836 N/A LYS 529.A NZ SER 490.A OG no hydrogen 3.271 N/A LYS 529.A NZ GLY 491.A O no hydrogen 3.244 N/A LYS 531.A N LEU 492.A O no hydrogen 3.330 N/A TYR 533.A N VAL 494.A O no hydrogen 3.025 N/A ALA 535.A N ILE 496.A O no hydrogen 2.968 N/A VAL 537.A N THR 498.A O no hydrogen 2.928 N/A ASN 546.A ND2 ASP 499.A OD2 no hydrogen 3.125 N/A GLU 547.A N ILE 543.A O no hydrogen 2.955 N/A GLU 547.A N GLY 544.A O no hydrogen 3.274 N/A GLN 548.A N GLY 545.A O no hydrogen 2.833 N/A GLN 548.A NE2 GLY 544.A O no hydrogen 3.300 N/A VAL 549.A N GLY 545.A O no hydrogen 3.081 N/A ASP 550.A N ASN 546.A O no hydrogen 2.951 N/A LYS 551.A N GLU 547.A O no hydrogen 3.301 N/A LEU 552.A N GLN 548.A O no hydrogen 2.915 N/A VAL 553.A N VAL 549.A O no hydrogen 3.185 N/A VAL 553.A N ASP 550.A O no hydrogen 3.103 N/A SER 554.A N ASP 550.A O no hydrogen 2.840 N/A SER 554.A OG ASP 550.A O no hydrogen 2.870 N/A SER 554.A OG ASP 550.A OD1 no hydrogen 2.848 N/A ALA 555.A N LYS 551.A O no hydrogen 3.082 N/A ARG 558.A N SER 554.A O no hydrogen 3.097 N/A ARG 558.A NH1 HIS 540.A NE2 no hydrogen 3.196 N/A