Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g56_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 26.A OD2 no hydrogen 3.329 N/A GLY 5.A N PHE 238.A O no hydrogen 2.733 N/A ARG 6.A N PHE 27.A O no hydrogen 3.178 N/A ARG 6.A NH1 ILE 240.A O no hydrogen 2.492 N/A ARG 6.A NH2 GLY 242.A O no hydrogen 2.458 N/A ASP 7.A N ILE 240.A O no hydrogen 3.018 N/A VAL 8.A N CYS 29.A O no hydrogen 3.174 N/A CYS 10.A SG HIS 33.A NE2 no hydrogen 3.716 N/A GLU 13.A N THR 12.A OG1 no hydrogen 2.474 N/A THR 17.A N GLU 13.A O no hydrogen 3.124 N/A THR 17.A OG1 GLU 13.A O no hydrogen 2.786 N/A LEU 18.A N VAL 14.A O no hydrogen 3.001 N/A GLY 19.A N ALA 15.A O no hydrogen 3.436 N/A ALA 20.A N ASP 16.A O no hydrogen 2.921 N/A ASN 22.A N GLY 19.A O no hydrogen 3.278 N/A GLN 23.A NE2 ASP 250.A OD2 no hydrogen 2.395 N/A GLY 24.A N ALA 21.A O no hydrogen 3.374 N/A ASP 26.A N SER 4.A O no hydrogen 2.789 N/A LEU 28.A N LEU 67.A O no hydrogen 2.810 N/A CYS 29.A N ARG 6.A O no hydrogen 2.813 N/A ARG 35.A N HIS 33.A ND1 no hydrogen 3.014 N/A PHE 36.A N HIS 33.A O no hydrogen 2.895 N/A LYS 37.A N ARG 35.A O no hydrogen 2.681 N/A ARG 38.A NE GLN 94.A OE1 no hydrogen 2.730 N/A ARG 38.A NH1 PHE 36.A O no hydrogen 2.934 N/A ARG 38.A NH2 GLN 94.A OE1 no hydrogen 3.563 N/A ARG 38.A NH2 GLU 95.A OE2 no hydrogen 2.919 N/A LYS 46.A N LYS 42.A O no hydrogen 2.972 N/A SER 47.A N PRO 44.A O no hydrogen 3.297 N/A SER 47.A OG GLU 43.A OE1 no hydrogen 2.704 N/A SER 47.A OG GLU 43.A OE2 no hydrogen 2.736 N/A ARG 48.A NH1 LYS 37.A O no hydrogen 2.738 N/A THR 53.A OG1 ILE 31.A O no hydrogen 2.454 N/A ARG 54.A NH2 VAL 11.A O no hydrogen 3.135 N/A SER 55.A OG ASP 56.A OD1 no hydrogen 3.232 N/A LEU 57.A N SER 55.A OG no hydrogen 3.176 N/A ASP 63.A N SER 60.A OG no hydrogen 3.378 N/A TRP 64.A N SER 60.A O no hydrogen 3.070 N/A TRP 64.A NE1 ASP 56.A O no hydrogen 2.950 N/A ASN 65.A N GLY 61.A O no hydrogen 2.979 N/A THR 66.A OG1 ARG 62.A O no hydrogen 2.577 N/A LEU 67.A N ASP 63.A O no hydrogen 2.907 N/A VAL 69.A N LEU 28.A O no hydrogen 2.967 N/A GLY 70.A N ALA 106.A O no hydrogen 3.179 N/A LYS 71.A NZ ASP 7.A OD1 no hydrogen 3.046 N/A LYS 71.A NZ VAL 8.A O no hydrogen 2.739 N/A LEU 72.A N LEU 108.A O no hydrogen 2.953 N/A SER 73.A N GLU 95.A OE1 no hydrogen 3.179 N/A SER 73.A OG GLU 95.A OE1 no hydrogen 3.440 N/A SER 73.A OG GLU 95.A OE2 no hydrogen 2.616 N/A LYS 77.A N SER 89.A OG no hydrogen 3.020 N/A THR 78.A OG1 ASP 79.A OD2 no hydrogen 3.385 N/A SER 80.A N LYS 77.A O no hydrogen 3.347 N/A VAL 82.A N SER 80.A OG no hydrogen 3.224 N/A ARG 86.A N VAL 82.A O no hydrogen 2.952 N/A LYS 87.A N SER 83.A O no hydrogen 2.963 N/A THR 88.A N ARG 84.A O no hydrogen 3.203 N/A THR 88.A OG1 ARG 84.A O no hydrogen 2.647 N/A SER 89.A N ILE 85.A O no hydrogen 2.843 N/A SER 89.A OG ILE 85.A O no hydrogen 2.702 N/A GLU 90.A N ARG 86.A O no hydrogen 2.745 N/A ALA 91.A N LYS 87.A O no hydrogen 3.376 N/A ALA 92.A N THR 88.A O no hydrogen 3.036 N/A GLN 94.A N ALA 91.A O no hydrogen 3.252 N/A GLU 95.A N ALA 92.A O no hydrogen 3.286 N/A ASN 97.A N GLN 93.A O no hydrogen 3.127 N/A ASN 97.A ND2 GLN 93.A O no hydrogen 2.316 N/A PHE 98.A N GLN 94.A O no hydrogen 3.223 N/A SER 99.A N GLU 95.A O no hydrogen 3.015 N/A SER 99.A OG GLU 95.A O no hydrogen 3.239 N/A SER 99.A OG LEU 96.A O no hydrogen 2.572 N/A ALA 100.A N LEU 96.A O no hydrogen 3.118 N/A TYR 101.A N ASN 97.A O no hydrogen 3.078 N/A TYR 101.A OH ASP 56.A OD2 no hydrogen 2.934 N/A LEU 102.A N PHE 98.A O no hydrogen 3.005 N/A GLY 103.A N ALA 100.A O no hydrogen 3.186 N/A LEU 104.A N SER 99.A O no hydrogen 3.189 N/A LEU 108.A N GLY 70.A O no hydrogen 2.610 N/A ILE 109.A N TRP 136.A O no hydrogen 3.045 N/A LEU 111.A N ARG 137.A O no hydrogen 3.036 N/A LYS 112.A NZ ASP 74.A O no hydrogen 3.486 N/A LYS 112.A NZ ASP 74.A OD2 no hydrogen 3.082 N/A ASN 116.A ND2 GLN 113.A O no hydrogen 2.678 N/A SER 117.A OG ASP 115.A OD1 no hydrogen 3.460 N/A ASN 118.A N ASP 79.A OD1 no hydrogen 2.954 N/A ASN 118.A ND2 THR 78.A O no hydrogen 2.729 N/A ASN 118.A ND2 GLU 90.A OE2 no hydrogen 2.716 N/A SER 120.A N ASN 116.A O no hydrogen 3.073 N/A SER 120.A OG ASN 116.A O no hydrogen 3.109 N/A ARG 121.A N SER 117.A O no hydrogen 3.236 N/A ARG 121.A NE ASN 118.A OD1 no hydrogen 3.279 N/A ARG 121.A NH2 ASN 118.A OD1 no hydrogen 2.677 N/A LEU 122.A N ASN 118.A O no hydrogen 3.264 N/A LEU 123.A N LEU 119.A O no hydrogen 3.039 N/A ILE 124.A N SER 120.A O no hydrogen 3.003 N/A ASN 125.A N ARG 121.A O no hydrogen 3.302 N/A HIS 126.A N LEU 122.A O no hydrogen 3.284 N/A ILE 127.A N LEU 123.A O no hydrogen 3.164 N/A HIS 128.A N ILE 124.A O no hydrogen 3.164 N/A HIS 128.A N ASN 125.A O no hydrogen 2.687 N/A VAL 129.A N ASN 125.A O no hydrogen 2.919 N/A HIS 132.A ND1 GLY 130.A O no hydrogen 2.521 N/A SER 133.A OG HIS 132.A O no hydrogen 2.483 N/A THR 134.A OG1 LEU 104.A O no hydrogen 3.035 N/A THR 134.A OG1 HIS 132.A O no hydrogen 3.396 N/A TRP 136.A N PHE 107.A O no hydrogen 2.937 N/A ARG 137.A NH1 ASP 7.A OD2 no hydrogen 3.372 N/A VAL 138.A N ALA 179.A O no hydrogen 3.254 N/A LEU 140.A N GLU 181.A O no hydrogen 3.063 N/A ASP 144.A N ALA 141.A O no hydrogen 2.816 N/A LEU 145.A N PRO 142.A O no hydrogen 3.416 N/A ARG 146.A NE ASN 143.A OD1 no hydrogen 3.223 N/A ARG 146.A NH2 GLU 153.A O no hydrogen 3.446 N/A ASN 152.A N ASN 152.A OD1 no hydrogen 2.575 N/A ARG 158.A NE ASP 144.A OD2 no hydrogen 3.208 N/A THR 159.A OG1 PRO 139.A O no hydrogen 2.841 N/A THR 159.A OG1 LEU 140.A O no hydrogen 3.184 N/A TRP 163.A N THR 159.A O no hydrogen 3.354 N/A TRP 163.A NE1 GLU 198.A OE1 no hydrogen 2.837 N/A HIS 164.A N TRP 160.A O no hydrogen 2.857 N/A ASN 165.A N ILE 161.A O no hydrogen 2.971 N/A PHE 166.A N TRP 162.A O no hydrogen 3.392 N/A ARG 167.A N TRP 163.A O no hydrogen 2.917 N/A ARG 167.A NH1 GLU 198.A OE1 no hydrogen 3.154 N/A SER 168.A N HIS 164.A O no hydrogen 3.038 N/A SER 168.A OG HIS 164.A O no hydrogen 2.740 N/A LEU 169.A N ASN 165.A O no hydrogen 3.063 N/A CYS 170.A N PHE 166.A O no hydrogen 3.017 N/A CYS 170.A SG PHE 166.A O no hydrogen 3.197 N/A ASP 171.A N SER 168.A O no hydrogen 2.984 N/A TYR 172.A N ARG 167.A O no hydrogen 2.813 N/A LYS 175.A N ASN 173.A OD1 no hydrogen 2.877 N/A ILE 176.A N ASN 173.A O no hydrogen 3.395 N/A ALA 177.A N PHE 135.A O no hydrogen 2.780 N/A LEU 178.A N PRO 199.A O no hydrogen 3.045 N/A GLU 181.A N VAL 138.A O no hydrogen 3.093 N/A ILE 182.A N PHE 204.A O no hydrogen 3.133 N/A SER 188.A N GLU 156.A OE1 no hydrogen 2.729 N/A ILE 192.A N SER 188.A O no hydrogen 2.977 N/A ASP 193.A N GLY 189.A O no hydrogen 2.911 N/A ARG 194.A N HIS 190.A O no hydrogen 3.078 N/A ARG 194.A N VAL 191.A O no hydrogen 3.090 N/A ARG 194.A NH1 GLU 157.A OE1 no hydrogen 3.431 N/A TRP 195.A N VAL 191.A O no hydrogen 2.996 N/A LEU 196.A N ILE 192.A O no hydrogen 2.934 N/A GLU 198.A N TRP 195.A O no hydrogen 3.047 N/A ILE 200.A N GLU 198.A O no hydrogen 2.639 N/A LYS 201.A N LEU 178.A O no hydrogen 2.897 N/A ALA 203.A N GLN 237.A O no hydrogen 2.772 N/A PHE 204.A N ILE 180.A O no hydrogen 2.767 N/A LEU 205.A N VAL 239.A O no hydrogen 2.569 N/A THR 207.A N SER 241.A O no hydrogen 2.883 N/A THR 207.A OG1 SER 243.A O no hydrogen 3.291 N/A THR 207.A OG1 TYR 254.A OH no hydrogen 2.788 N/A LEU 211.A N VAL 219.A O no hydrogen 2.667 N/A THR 212.A OG1 HIS 246.A O no hydrogen 3.419 N/A ASN 213.A N PHE 217.A O no hydrogen 2.931 N/A LYS 214.A N ASN 213.A OD1 no hydrogen 2.434 N/A GLY 216.A N ASN 213.A O no hydrogen 2.991 N/A VAL 219.A N LEU 211.A O no hydrogen 2.667 N/A LEU 220.A N TYR 257.A OH no hydrogen 3.117 N/A THR 221.A OG1 HIS 224.A ND1 no hydrogen 2.866 N/A HIS 224.A N THR 221.A OG1 no hydrogen 3.278 N/A HIS 224.A ND1 THR 221.A OG1 no hydrogen 2.866 N/A HIS 224.A NE2 GLY 183.A O no hydrogen 2.960 N/A GLN 225.A N THR 221.A O no hydrogen 2.944 N/A ARG 226.A N LYS 222.A O no hydrogen 3.403 N/A ILE 228.A N HIS 224.A O no hydrogen 2.949 N/A PHE 229.A N GLN 225.A O no hydrogen 2.930 N/A LYS 230.A N ARG 226.A O no hydrogen 3.216 N/A LYS 230.A NZ ARG 226.A O no hydrogen 3.419 N/A LEU 231.A N LEU 227.A O no hydrogen 3.095 N/A PHE 232.A N ILE 228.A O no hydrogen 2.966 N/A PHE 232.A N PHE 229.A O no hydrogen 3.268 N/A LEU 234.A N LEU 231.A O no hydrogen 3.331 N/A GLU 235.A N PHE 232.A O no hydrogen 3.195 N/A GLN 237.A N LYS 201.A O no hydrogen 3.424 N/A GLN 237.A NE2 SER 3.A OG no hydrogen 2.836 N/A PHE 238.A N SER 3.A O no hydrogen 3.397 N/A VAL 239.A N ALA 203.A O no hydrogen 2.791 N/A ILE 240.A N GLY 5.A O no hydrogen 3.080 N/A SER 241.A N LEU 205.A O no hydrogen 3.234 N/A HIS 245.A N SER 243.A OG no hydrogen 3.392 N/A HIS 246.A ND1 SER 243.A O no hydrogen 3.019 N/A SER 247.A N HIS 244.A O no hydrogen 3.418 N/A SER 247.A OG HIS 244.A O no hydrogen 3.457 N/A SER 247.A OG LYS 249.A O no hydrogen 3.374 N/A SER 247.A OG TYR 254.A OH no hydrogen 3.274 N/A TYR 254.A N LEU 251.A O no hydrogen 3.016 N/A TYR 254.A OH SER 247.A OG no hydrogen 3.274 N/A LEU 255.A N CYS 252.A O no hydrogen 3.157 N/A GLN 256.A N CYS 252.A O no hydrogen 2.987 N/A TYR 257.A N SER 253.A O no hydrogen 3.137 N/A LEU 258.A N TYR 254.A O no hydrogen 3.456 N/A GLU 259.A N LEU 255.A O no hydrogen 3.103 N/A TYR 260.A N GLN 256.A O no hydrogen 2.818 N/A LEU 261.A N TYR 257.A O no hydrogen 2.910 N/A SER 262.A N LEU 258.A O no hydrogen 2.942 N/A GLN 263.A N GLU 259.A O no hydrogen 3.195 N/A ASN 264.A N LEU 261.A O no hydrogen 3.335 N/A ASN 264.A ND2 TYR 260.A O no hydrogen 2.480 N/A SER 265.A N SER 262.A O no hydrogen 3.493 N/A SER 265.A OG SER 262.A O no hydrogen 2.641 N/A ALA 270.A N ASN 269.A OD1 no hydrogen 2.766 N/A TYR 277.A N PHE 273.A O no hydrogen 2.639 N/A TYR 280.A N TYR 277.A O no hydrogen 3.243 N/A GLN 286.A NE2 THR 601.A O no hydrogen 3.120 N/A TYR 296.A N GLU 292.A O no hydrogen 3.088 N/A GLU 297.A N SER 293.A O no hydrogen 3.071 N/A VAL 298.A N GLN 294.A O no hydrogen 3.307 N/A VAL 298.A N THR 295.A O no hydrogen 3.194 N/A PHE 299.A N THR 295.A O no hydrogen 3.382 N/A GLU 300.A N TYR 296.A O no hydrogen 2.957 N/A LYS 301.A N VAL 298.A O no hydrogen 3.241 N/A VAL 304.A N ASP 302.A OD1 no hydrogen 3.340 N/A LYS 305.A N ASP 302.A OD2 no hydrogen 3.337 N/A LYS 305.A NZ PHE 299.A O no hydrogen 3.355 N/A SER 307.A N PRO 303.A O no hydrogen 2.884 N/A SER 307.A OG PRO 303.A O no hydrogen 2.606 N/A GLN 308.A N VAL 304.A O no hydrogen 2.900 N/A TYR 309.A N LYS 305.A O no hydrogen 3.206 N/A TYR 309.A OH SER 404.A O no hydrogen 2.816 N/A GLN 310.A N TYR 306.A O no hydrogen 3.007 N/A GLN 311.A N SER 307.A O no hydrogen 2.752 N/A ALA 312.A N GLN 308.A O no hydrogen 2.852 N/A VAL 313.A N TYR 309.A O no hydrogen 3.087 N/A TYR 314.A N GLN 310.A O no hydrogen 3.041 N/A LYS 315.A N GLN 311.A O no hydrogen 2.992 N/A LYS 315.A NZ ASP 531.A OD1 no hydrogen 2.379 N/A CYS 316.A N ALA 312.A O no hydrogen 2.969 N/A LEU 317.A N VAL 313.A O no hydrogen 3.077 N/A LEU 318.A N TYR 314.A O no hydrogen 3.509 N/A ASP 319.A N LYS 315.A O no hydrogen 3.228 N/A ARG 320.A N LEU 317.A O no hydrogen 3.165 N/A ARG 320.A NE GLN 331.A OE1 no hydrogen 2.744 N/A ARG 320.A NH1 ASP 430.A O no hydrogen 3.377 N/A ARG 320.A NH2 ASP 400.A OD2 no hydrogen 2.837 N/A ARG 320.A NH2 ASP 430.A O no hydrogen 3.441 N/A ARG 320.A NH2 ASP 430.A OD2 no hydrogen 2.939 N/A VAL 321.A N LEU 317.A O no hydrogen 3.139 N/A GLU 324.A N GLU 324.A OE1 no hydrogen 2.693 N/A LYS 326.A NZ GLU 354.A OE1 no hydrogen 2.801 N/A ASN 329.A ND2 GLU 325.A OE1 no hydrogen 3.156 N/A GLN 331.A N LYS 356.A O no hydrogen 3.001 N/A ILE 332.A N ASP 400.A OD1 no hydrogen 3.287 N/A LEU 333.A N LYS 358.A O no hydrogen 2.981 N/A VAL 334.A N TYR 360.A O no hydrogen 2.795 N/A LEU 335.A N VAL 403.A O no hydrogen 2.811 N/A GLY 336.A N VAL 362.A O no hydrogen 2.989 N/A ALA 337.A N VAL 362.A O no hydrogen 3.068 N/A GLY 338.A N GLU 363.A OE1 no hydrogen 3.149 N/A ARG 339.A NE GLU 300.A OE1 no hydrogen 3.327 N/A ARG 339.A NE GLU 300.A OE2 no hydrogen 3.206 N/A ARG 339.A NH1 GLU 300.A OE1 no hydrogen 2.697 N/A GLY 340.A N ALA 337.A O no hydrogen 3.262 N/A VAL 343.A N GLY 340.A O no hydrogen 2.504 N/A ASN 344.A N GLY 340.A O no hydrogen 3.405 N/A ALA 345.A N PRO 341.A O no hydrogen 2.905 N/A SER 346.A N VAL 343.A O no hydrogen 3.187 N/A SER 346.A OG LEU 342.A O no hydrogen 2.738 N/A LEU 347.A N VAL 343.A O no hydrogen 3.014 N/A ARG 348.A N ASN 344.A O no hydrogen 2.981 N/A ALA 350.A N SER 346.A O no hydrogen 3.157 N/A ALA 350.A N LEU 347.A O no hydrogen 3.116 N/A LYS 351.A N LEU 347.A O no hydrogen 3.181 N/A GLN 352.A N ARG 348.A O no hydrogen 2.995 N/A ALA 353.A N ALA 349.A O no hydrogen 3.198 N/A GLU 354.A N LYS 351.A O no hydrogen 3.283 N/A ARG 355.A N ALA 350.A O no hydrogen 2.735 N/A ARG 355.A NE VAL 321.A O no hydrogen 2.996 N/A ARG 355.A NH1 VAL 321.A O no hydrogen 2.847 N/A LYS 358.A N GLN 331.A O no hydrogen 2.866 N/A LYS 358.A NZ GLU 397.A OE1 no hydrogen 2.905 N/A VAL 359.A N GLN 383.A O no hydrogen 2.873 N/A TYR 360.A N LEU 333.A O no hydrogen 2.984 N/A TYR 360.A OH GLU 397.A OE1 no hydrogen 3.082 N/A ALA 361.A N THR 385.A O no hydrogen 2.803 N/A VAL 362.A N VAL 334.A O no hydrogen 3.208 N/A GLU 363.A N VAL 387.A O no hydrogen 2.842 N/A LYS 364.A NZ PRO 287.A O no hydrogen 3.109 N/A ASN 365.A N GLU 363.A OE2 no hydrogen 2.849 N/A ASN 365.A ND2 LEU 291.A O no hydrogen 3.261 N/A ASN 365.A ND2 TYR 296.A OH no hydrogen 3.139 N/A ASN 367.A N ASN 365.A OD1 no hydrogen 3.154 N/A VAL 369.A N ASN 365.A O no hydrogen 3.055 N/A ILE 370.A N PRO 366.A O no hydrogen 3.285 N/A LEU 372.A N ALA 368.A O no hydrogen 2.859 N/A GLU 373.A N VAL 369.A O no hydrogen 2.800 N/A GLY 374.A N THR 371.A O no hydrogen 3.142 N/A TRP 375.A N THR 371.A O no hydrogen 3.484 N/A ARG 376.A N LEU 372.A O no hydrogen 3.111 N/A TYR 377.A N GLU 373.A O no hydrogen 3.379 N/A GLU 378.A N TRP 375.A O no hydrogen 3.432 N/A GLU 379.A N TRP 375.A O no hydrogen 2.822 N/A TRP 380.A N TRP 375.A O no hydrogen 2.810 N/A TRP 380.A NE1 ASN 344.A OD1 no hydrogen 2.567 N/A GLY 381.A N ARG 376.A O no hydrogen 3.228 N/A VAL 384.A N GLY 381.A O no hydrogen 3.476 N/A THR 385.A N VAL 359.A O no hydrogen 2.786 N/A VAL 387.A N ALA 361.A O no hydrogen 2.704 N/A GLY 389.A N GLU 363.A O no hydrogen 2.624 N/A ARG 391.A NE ASP 390.A OD1 no hydrogen 3.258 N/A ARG 391.A NE ASP 390.A OD2 no hydrogen 3.044 N/A ARG 391.A NH2 ASP 390.A OD2 no hydrogen 2.644 N/A GLU 392.A N ASP 390.A O no hydrogen 3.189 N/A TRP 393.A N ASP 390.A O no hydrogen 2.874 N/A ALA 399.A N PHE 426.A O no hydrogen 2.945 N/A ASP 400.A N ILE 332.A O no hydrogen 2.726 N/A ILE 401.A N ILE 332.A O no hydrogen 3.189 N/A ILE 402.A N VAL 432.A O no hydrogen 3.071 N/A SER 404.A N ILE 434.A O no hydrogen 2.796 N/A LEU 407.A N GLU 405.A OE2 no hydrogen 3.357 N/A GLY 408.A N GLY 411.A O no hydrogen 3.222 N/A SER 409.A OG PHE 548.A O no hydrogen 2.927 N/A PHE 410.A N ASN 413.A OD1 no hydrogen 2.870 N/A GLY 411.A N GLY 408.A O no hydrogen 3.072 N/A ASP 412.A N PHE 410.A O no hydrogen 3.044 N/A LEU 415.A N ASP 412.A O no hydrogen 2.962 N/A SER 416.A OG TYR 438.A OH no hydrogen 2.829 N/A GLU 418.A N GLU 418.A OE1 no hydrogen 2.637 N/A CYS 419.A N LEU 415.A O no hydrogen 3.306 N/A CYS 419.A SG LEU 415.A O no hydrogen 3.319 N/A LEU 420.A N SER 416.A O no hydrogen 3.056 N/A ASP 421.A N PRO 417.A O no hydrogen 2.832 N/A GLY 422.A N GLU 418.A O no hydrogen 3.309 N/A ALA 423.A N LEU 420.A O no hydrogen 3.019 N/A GLN 424.A N ASP 421.A O no hydrogen 3.433 N/A GLN 424.A NE2 ASN 494.A O no hydrogen 2.840 N/A LEU 427.A N GLN 424.A O no hydrogen 3.105 N/A LYS 428.A N ALA 399.A O no hydrogen 2.964 N/A LYS 428.A NZ ASP 400.A OD2 no hydrogen 3.276 N/A GLY 431.A N LYS 428.A O no hydrogen 2.944 N/A VAL 432.A N ASP 400.A O no hydrogen 2.775 N/A SER 433.A OG PRO 435.A O no hydrogen 3.441 N/A ILE 434.A N ILE 402.A O no hydrogen 2.733 N/A GLY 436.A N VAL 527.A O no hydrogen 2.792 N/A GLU 437.A N VAL 527.A O no hydrogen 3.487 N/A TYR 438.A N PHE 490.A O no hydrogen 2.980 N/A TYR 438.A OH HIS 492.A NE2 no hydrogen 2.618 N/A THR 439.A N ASN 525.A O no hydrogen 2.837 N/A THR 439.A OG1 THR 489.A OG1 no hydrogen 3.078 N/A SER 440.A N PHE 488.A O no hydrogen 2.946 N/A SER 440.A OG PHE 488.A O no hydrogen 3.462 N/A TYR 441.A N TYR 523.A O no hydrogen 2.727 N/A TYR 441.A OH ASN 525.A OD1 no hydrogen 3.154 N/A LEU 442.A N LEU 485.A O no hydrogen 3.063 N/A ALA 443.A N ALA 521.A O no hydrogen 3.045 N/A ILE 445.A N GLY 519.A O no hydrogen 3.056 N/A SER 446.A N HIS 479.A O no hydrogen 2.776 N/A SER 446.A OG THR 515.A OG1 no hydrogen 2.887 N/A SER 446.A OG VAL 516.A O no hydrogen 2.842 N/A SER 447.A N HIS 518.A ND1 no hydrogen 3.018 N/A SER 447.A OG ASN 477.A O no hydrogen 2.556 N/A SER 448.A OG TYR 172.A OH no hydrogen 3.281 N/A LYS 449.A NZ ASP 279.A OD1 no hydrogen 3.524 N/A LYS 449.A NZ ASN 477.A OD1 no hydrogen 2.912 N/A LEU 450.A N SER 447.A OG no hydrogen 3.033 N/A TYR 451.A N SER 447.A O no hydrogen 3.088 N/A TYR 451.A OH LYS 555.A O no hydrogen 2.918 N/A ASN 452.A N SER 448.A O no hydrogen 3.242 N/A ASN 452.A ND2 SER 448.A O no hydrogen 2.569 N/A GLU 453.A N LYS 449.A O no hydrogen 3.218 N/A VAL 454.A N LEU 450.A O no hydrogen 3.024 N/A ARG 455.A N TYR 451.A O no hydrogen 2.835 N/A ARG 455.A NH2 ASP 171.A O no hydrogen 3.543 N/A ALA 456.A N ASN 452.A O no hydrogen 3.207 N/A CYS 457.A N VAL 454.A O no hydrogen 2.885 N/A CYS 457.A SG GLU 453.A O no hydrogen 3.172 N/A ARG 462.A NH2 CYS 457.A O no hydrogen 2.848 N/A GLU 465.A N ASP 463.A OD1 no hydrogen 3.028 N/A ALA 466.A N ASP 463.A O no hydrogen 3.002 N/A GLN 467.A N GLN 467.A OE1 no hydrogen 2.520 N/A GLN 467.A NE2 PRO 464.A O no hydrogen 2.720 N/A PHE 468.A N GLU 465.A O no hydrogen 3.218 N/A GLU 469.A N ALA 466.A O no hydrogen 3.029 N/A TYR 471.A N LEU 551.A O no hydrogen 2.858 N/A TYR 471.A OH GLN 467.A O no hydrogen 2.770 N/A VAL 472.A N GLN 282.A O no hydrogen 2.800 N/A VAL 473.A N PRO 549.A O no hydrogen 3.014 N/A ASN 477.A N ARG 474.A O no hydrogen 3.396 N/A ASN 477.A ND2 GLU 278.A O no hydrogen 2.542 N/A PHE 478.A N LEU 475.A O no hydrogen 3.211 N/A HIS 479.A N SER 446.A O no hydrogen 2.921 N/A LEU 481.A N PRO 444.A O no hydrogen 2.748 N/A LEU 485.A N LEU 442.A O no hydrogen 2.965 N/A CYS 487.A N SER 440.A O no hydrogen 2.618 N/A PHE 488.A N SER 440.A OG no hydrogen 3.060 N/A THR 489.A OG1 THR 439.A OG1 no hydrogen 3.078 N/A PHE 490.A N TYR 438.A O no hydrogen 2.983 N/A HIS 492.A N GLY 436.A O no hydrogen 2.657 N/A HIS 492.A NE2 TYR 438.A OH no hydrogen 2.618 N/A ASN 494.A N GLN 424.A OE1 no hydrogen 3.202 N/A ASN 501.A ND2 ASP 421.A OD2 no hydrogen 3.244 N/A ASN 502.A N ASP 500.A OD1 no hydrogen 2.884 N/A ASN 502.A ND2 ASP 500.A OD1 no hydrogen 2.547 N/A ARG 503.A N ARG 571.A O no hydrogen 3.004 N/A ARG 503.A NE ASP 500.A O no hydrogen 3.622 N/A ARG 503.A NH1 THR 489.A O no hydrogen 2.776 N/A CYS 505.A N PHE 569.A O no hydrogen 3.236 N/A LEU 507.A N VAL 567.A O no hydrogen 3.130 N/A TYR 509.A N VAL 565.A O no hydrogen 2.976 N/A TYR 509.A OH LEU 442.A O no hydrogen 2.605 N/A VAL 511.A N ASP 563.A O no hydrogen 2.751 N/A LEU 517.A N ILE 558.A O no hydrogen 2.723 N/A HIS 518.A N ILE 445.A O no hydrogen 3.256 N/A PHE 520.A N PHE 552.A O no hydrogen 2.958 N/A ALA 521.A N ALA 443.A O no hydrogen 2.815 N/A GLY 522.A N ILE 550.A O no hydrogen 2.693 N/A TYR 523.A N TYR 441.A O no hydrogen 2.988 N/A TYR 523.A OH GLN 480.A OE1 no hydrogen 2.994 N/A ASN 525.A N THR 439.A O no hydrogen 2.978 N/A THR 526.A N LEU 534.A O no hydrogen 2.710 N/A THR 526.A OG1 GLU 437.A O no hydrogen 2.734 N/A VAL 527.A N GLU 437.A O no hydrogen 2.845 N/A LEU 528.A N VAL 532.A O no hydrogen 3.091 N/A VAL 532.A N TYR 529.A O no hydrogen 3.068 N/A THR 533.A OG1 SER 542.A OG no hydrogen 2.547 N/A LEU 534.A N THR 526.A O no hydrogen 2.998 N/A SER 535.A N PRO 543.A O no hydrogen 3.327 N/A SER 535.A OG SER 540.A OG no hydrogen 3.424 N/A ILE 536.A N PHE 524.A O no hydrogen 3.019 N/A CYS 537.A N SER 535.A OG no hydrogen 3.169 N/A CYS 537.A SG SER 535.A OG no hydrogen 3.501 N/A SER 540.A N CYS 537.A O no hydrogen 3.331 N/A SER 542.A N SER 540.A OG no hydrogen 3.217 N/A SER 542.A OG THR 533.A OG1 no hydrogen 2.547 N/A SER 546.A N GLY 544.A O no hydrogen 3.256 N/A SER 546.A OG ASP 302.A OD2 no hydrogen 2.447 N/A ILE 550.A N GLY 522.A O no hydrogen 3.021 N/A LEU 551.A N TYR 471.A O no hydrogen 2.624 N/A PHE 552.A N PHE 520.A O no hydrogen 2.847 N/A LYS 555.A N HIS 593.A NE2 no hydrogen 2.928 N/A LYS 555.A NZ GLU 465.A OE1 no hydrogen 2.782 N/A LYS 555.A NZ GLU 469.A OE2 no hydrogen 3.231 N/A ILE 558.A N LEU 517.A O no hydrogen 3.054 N/A ARG 560.A N ASP 563.A OD2 no hydrogen 2.970 N/A GLU 561.A N ASN 514.A OD1 no hydrogen 2.930 N/A GLY 562.A N VAL 511.A O no hydrogen 2.670 N/A THR 564.A OG1 SER 586.A OG no hydrogen 3.147 N/A VAL 565.A N TYR 509.A O no hydrogen 2.600 N/A VAL 567.A N LEU 507.A O no hydrogen 2.907 N/A ARG 568.A N ALA 583.A O no hydrogen 2.766 N/A ARG 568.A NE TYR 504.A OH no hydrogen 3.106 N/A PHE 569.A N CYS 505.A O no hydrogen 3.086 N/A TRP 570.A N GLU 581.A O no hydrogen 2.609 N/A ARG 571.A N ARG 503.A O no hydrogen 2.908 N/A ARG 571.A NE ASN 501.A O no hydrogen 3.186 N/A ARG 571.A NH1 ASP 412.A O no hydrogen 3.140 N/A CYS 572.A N TRP 579.A O no hydrogen 2.869 N/A CYS 572.A SG GLU 581.A OE2 no hydrogen 3.711 N/A ASN 573.A N ASN 502.A OD1 no hydrogen 2.858 N/A ASN 573.A ND2 GLU 418.A OE2 no hydrogen 2.958 N/A ASN 574.A N LYS 577.A O no hydrogen 3.177 N/A GLY 575.A N ASN 573.A OD1 no hydrogen 3.021 N/A LYS 576.A N ASN 574.A OD1 no hydrogen 3.080 N/A LYS 577.A N ASN 574.A OD1 no hydrogen 2.531 N/A VAL 578.A N ILE 602.A O no hydrogen 2.950 N/A TRP 579.A N CYS 572.A O no hydrogen 3.112 N/A TRP 579.A NE1 GLU 581.A OE2 no hydrogen 2.936 N/A TYR 580.A OH ASP 412.A OD2 no hydrogen 2.801 N/A GLU 581.A N TRP 570.A O no hydrogen 2.985 N/A TRP 582.A NE1 PRO 553.A O no hydrogen 2.922 N/A ALA 583.A N ARG 568.A O no hydrogen 2.909 N/A VAL 584.A N SER 590.A OG no hydrogen 2.893 N/A THR 585.A N CYS 566.A O no hydrogen 2.956 N/A THR 585.A OG1 CYS 566.A O no hydrogen 3.214 N/A SER 586.A OG THR 564.A O no hydrogen 2.566 N/A SER 586.A OG THR 564.A OG1 no hydrogen 3.147 N/A CYS 589.A SG SER 590.A O no hydrogen 3.734 N/A SER 590.A N VAL 584.A O no hydrogen 2.644 N/A SER 590.A OG VAL 584.A O no hydrogen 3.304 N/A SER 590.A OG ALA 591.A O no hydrogen 3.383 N/A HIS 593.A N TRP 582.A O no hydrogen 2.615 N/A HIS 593.A ND1 ALA 591.A O no hydrogen 2.763 N/A ASN 594.A ND2 TYR 580.A O no hydrogen 3.233 N/A ASN 594.A ND2 TYR 600.A O no hydrogen 2.790 N/A THR 596.A N GLU 581.A OE2 no hydrogen 3.008 N/A GLY 597.A N ASN 594.A O no hydrogen 3.307 N/A ARG 598.A N PRO 595.A O no hydrogen 3.174 N/A ARG 598.A NE GLU 469.A OE1 no hydrogen 3.017 N/A ARG 598.A NH2 GLU 469.A OE2 no hydrogen 2.637 N/A SER 599.A N ASN 594.A OD1 no hydrogen 2.712 N/A SER 599.A OG GLU 469.A OE1 no hydrogen 2.627 N/A TYR 600.A N ASN 594.A OD1 no hydrogen 2.989 N/A ILE 602.A N VAL 578.A O no hydrogen 2.543 N/A GLY 603.A N GLN 286.A OE1 no hydrogen 3.164 N/A LEU 604.A N LYS 576.A O no hydrogen 3.357 N/A