Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3df0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N TRP 126.A O no hydrogen 2.849 N/A TYR 4.A N GLU 128.A O no hydrogen 3.041 N/A ASN 6.A N LYS 3.A O no hydrogen 2.984 N/A GLN 7.A N TYR 4.A O no hydrogen 2.973 N/A GLU 10.A N ASP 8.A OD1 no hydrogen 3.332 N/A THR 11.A OG1 ASP 8.A OD2 no hydrogen 2.372 N/A LEU 12.A N TYR 9.A O no hydrogen 2.951 N/A ARG 13.A N TYR 9.A O no hydrogen 2.982 N/A GLU 15.A N LEU 12.A O no hydrogen 2.770 N/A CYS 16.A SG LEU 12.A O no hydrogen 2.737 N/A CYS 16.A SG ARG 13.A O no hydrogen 3.256 N/A ALA 19.A N CYS 16.A O no hydrogen 2.578 N/A GLY 20.A N CYS 16.A O no hydrogen 2.777 N/A PHE 23.A N ALA 113.A O no hydrogen 3.145 N/A GLN 24.A N GLN 24.A OE1 no hydrogen 2.978 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 3.532 N/A PHE 28.A N ASP 25.A O no hydrogen 3.248 N/A SER 33.A N LEU 31.A O no hydrogen 2.583 N/A SER 33.A OG PRO 32.A O no hydrogen 2.821 N/A SER 34.A N LEU 31.A O no hydrogen 2.939 N/A SER 34.A OG PRO 29.A O no hydrogen 2.482 N/A PHE 37.A N GLU 170.A OE2 no hydrogen 3.274 N/A GLU 39.A N GLU 170.A OE1 no hydrogen 3.255 N/A LEU 40.A N GLU 170.A OE2 no hydrogen 2.684 N/A GLY 41.A N LYS 38.A O no hydrogen 2.985 N/A SER 44.A N GLY 41.A O no hydrogen 2.967 N/A LYS 46.A NZ GLU 39.A OE1 no hydrogen 3.523 N/A THR 47.A N SER 44.A O no hydrogen 2.883 N/A THR 47.A OG1 GLY 41.A O no hydrogen 3.118 N/A GLU 51.A N THR 137.A O no hydrogen 2.894 N/A LYS 53.A N LEU 135.A O no hydrogen 3.082 N/A LYS 53.A NZ GLU 57.A OE1 no hydrogen 3.038 N/A ARG 54.A N GLU 57.A OE2 no hydrogen 3.303 N/A ARG 54.A NE ASP 133.A OD1 no hydrogen 3.310 N/A ARG 54.A NH2 PHE 23.A O no hydrogen 3.054 N/A GLU 57.A N ARG 54.A O no hydrogen 2.930 N/A GLN 63.A N SER 151.A O no hydrogen 3.010 N/A GLN 63.A NE2 ILE 65.A O no hydrogen 3.638 N/A ILE 66.A N GLU 152.A OE2 no hydrogen 3.040 N/A THR 70.A N ASP 73.A OD2 no hydrogen 2.832 N/A ARG 71.A NE GLU 298.A OE1 no hydrogen 3.484 N/A ARG 71.A NE GLU 298.A OE2 no hydrogen 3.380 N/A THR 72.A N THR 70.A OG1 no hydrogen 3.216 N/A THR 72.A OG1 THR 70.A OG1 no hydrogen 3.284 N/A ASP 73.A N THR 70.A O no hydrogen 3.311 N/A CYS 75.A SG THR 72.A O no hydrogen 3.548 N/A CYS 75.A SG ASP 73.A O no hydrogen 3.621 N/A CYS 75.A SG HIS 146.A O no hydrogen 3.265 N/A GLN 76.A N PRO 262.A O no hydrogen 2.622 N/A GLN 76.A NE2 LEU 79.A O no hydrogen 2.823 N/A ALA 78.A N LEU 143.A O no hydrogen 2.940 N/A LEU 79.A N GLY 77.A O no hydrogen 2.706 N/A TRP 83.A NE1 LEU 172.A O no hydrogen 2.769 N/A LEU 85.A N ASP 81.A O no hydrogen 3.037 N/A ALA 86.A N SER 82.A O no hydrogen 2.658 N/A ALA 87.A N TRP 83.A O no hydrogen 3.217 N/A ILE 88.A N LEU 84.A O no hydrogen 2.944 N/A ALA 89.A N LEU 85.A O no hydrogen 3.006 N/A SER 90.A N ALA 86.A O no hydrogen 3.162 N/A SER 90.A OG ALA 86.A O no hydrogen 3.262 N/A SER 90.A OG ALA 87.A O no hydrogen 2.975 N/A LEU 91.A N ALA 87.A O no hydrogen 3.003 N/A LEU 91.A N ILE 88.A O no hydrogen 2.915 N/A THR 92.A N ILE 88.A O no hydrogen 3.344 N/A THR 92.A OG1 ALA 89.A O no hydrogen 2.514 N/A ASN 94.A N LEU 91.A O no hydrogen 3.146 N/A ILE 97.A N ASN 94.A OD1 no hydrogen 2.799 N/A ALA 99.A N GLU 95.A O no hydrogen 3.109 N/A VAL 101.A N ILE 97.A O no hydrogen 3.447 N/A VAL 102.A N LEU 98.A O no hydrogen 2.610 N/A GLN 106.A NE2 PRO 103.A O no hydrogen 3.074 N/A PHE 108.A N GLN 109.A OE1 no hydrogen 3.005 N/A GLN 109.A NE2 GLN 63.A OE1 no hydrogen 3.618 N/A TYR 112.A OH ASP 133.A OD1 no hydrogen 3.117 N/A PHE 116.A N VAL 131.A O no hydrogen 2.791 N/A HIS 117.A N GLN 106.A OE1 no hydrogen 3.033 N/A HIS 117.A ND1 GLN 106.A OE1 no hydrogen 3.036 N/A PHE 118.A N VAL 129.A O no hydrogen 3.089 N/A GLN 119.A N VAL 101.A O no hydrogen 3.129 N/A PHE 120.A N VAL 127.A O no hydrogen 2.708 N/A TRP 121.A N ASP 183.A O no hydrogen 2.631 N/A GLN 122.A N GLU 125.A O no hydrogen 2.807 N/A GLN 122.A NE2 TRP 121.A O no hydrogen 3.066 N/A GLN 122.A NE2 ASP 183.A OD2 no hydrogen 3.154 N/A GLU 125.A N GLN 122.A O no hydrogen 3.239 N/A VAL 127.A N PHE 120.A O no hydrogen 2.749 N/A GLU 128.A N ILE 2.A O no hydrogen 3.037 N/A VAL 129.A N PHE 118.A O no hydrogen 2.786 N/A VAL 131.A N PHE 116.A O no hydrogen 3.219 N/A ARG 134.A N ASP 132.A OD2 no hydrogen 2.887 N/A ARG 134.A NE ASP 132.A OD2 no hydrogen 3.212 N/A LEU 135.A N LYS 53.A O no hydrogen 3.289 N/A THR 137.A N GLU 51.A O no hydrogen 2.801 N/A THR 137.A OG1 GLU 51.A O no hydrogen 3.243 N/A LYS 138.A NZ ARG 48.A O no hydrogen 2.930 N/A HIS 146.A N CYS 75.A O no hydrogen 3.052 N/A SER 147.A OG ASP 73.A OD1 no hydrogen 3.418 N/A SER 147.A OG GLU 152.A OE1 no hydrogen 2.689 N/A SER 151.A OG ASP 61.A O no hydrogen 3.449 N/A TRP 154.A N PHE 64.A O no hydrogen 3.294 N/A TRP 154.A NE1 ASP 73.A OD2 no hydrogen 3.087 N/A SER 155.A OG ASP 73.A O no hydrogen 3.510 N/A LEU 157.A N PHE 153.A O no hydrogen 3.193 N/A LEU 158.A N TRP 154.A O no hydrogen 2.996 N/A GLU 159.A N SER 155.A O no hydrogen 3.153 N/A LYS 160.A N ALA 156.A O no hydrogen 3.161 N/A LYS 160.A NZ ASP 132.A O no hydrogen 2.751 N/A LYS 160.A NZ ARG 134.A O no hydrogen 2.653 N/A ALA 161.A N LEU 157.A O no hydrogen 2.724 N/A TYR 162.A N LEU 158.A O no hydrogen 2.870 N/A TYR 162.A OH ASP 183.A OD2 no hydrogen 2.284 N/A ALA 163.A N GLU 159.A O no hydrogen 2.948 N/A LYS 164.A N LYS 160.A O no hydrogen 2.977 N/A LYS 164.A NZ GLN 7.A OE1 no hydrogen 2.576 N/A LYS 164.A NZ SER 27.A OG no hydrogen 3.085 N/A LYS 164.A NZ VAL 130.A O no hydrogen 2.718 N/A ILE 165.A N ALA 161.A O no hydrogen 3.478 N/A ASN 166.A N ALA 163.A O no hydrogen 2.782 N/A ASN 166.A ND2 TYR 162.A O no hydrogen 2.621 N/A GLY 167.A N LYS 164.A O no hydrogen 3.342 N/A CYS 168.A SG LEU 35.A O no hydrogen 3.458 N/A GLU 170.A N LEU 35.A O no hydrogen 2.645 N/A LEU 172.A N TYR 169.A O no hydrogen 2.767 N/A SER 173.A N GLU 170.A O no hydrogen 3.080 N/A GLY 174.A N GLY 80.A O no hydrogen 2.618 N/A ALA 176.A N GLU 179.A OE1 no hydrogen 3.138 N/A THR 177.A N GLU 314.A OE1 no hydrogen 3.239 N/A THR 177.A OG1 GLU 314.A OE1 no hydrogen 3.276 N/A THR 178.A N GLU 314.A OE2 no hydrogen 2.728 N/A THR 178.A OG1 GLU 314.A OE2 no hydrogen 3.104 N/A GLU 179.A N ALA 176.A O no hydrogen 3.227 N/A PHE 181.A N THR 177.A O no hydrogen 2.892 N/A GLU 182.A N THR 178.A O no hydrogen 3.010 N/A ASP 183.A N GLU 179.A O no hydrogen 3.311 N/A PHE 184.A N PHE 181.A O no hydrogen 3.014 N/A THR 185.A N GLU 182.A O no hydrogen 3.092 N/A THR 185.A OG1 PHE 181.A O no hydrogen 2.687 N/A GLY 186.A N GLU 182.A O no hydrogen 2.639 N/A GLY 187.A N THR 185.A OG1 no hydrogen 2.993 N/A ILE 188.A N ASN 317.A O no hydrogen 2.791 N/A GLU 190.A N ILE 315.A O no hydrogen 2.851 N/A TYR 192.A N LEU 313.A O no hydrogen 3.179 N/A LEU 194.A N SER 311.A O no hydrogen 2.970 N/A LYS 196.A N GLU 193.A O no hydrogen 3.064 N/A LEU 201.A N PRO 198.A O no hydrogen 3.355 N/A LYS 203.A NZ GLU 246.A OE2 no hydrogen 3.407 N/A ILE 204.A N ASN 200.A O no hydrogen 2.518 N/A ILE 204.A N LEU 201.A O no hydrogen 2.816 N/A ILE 205.A N LEU 201.A O no hydrogen 2.970 N/A GLN 206.A N PHE 202.A O no hydrogen 3.338 N/A LYS 207.A N LYS 203.A O no hydrogen 3.065 N/A LYS 207.A NZ ASP 326.A OD2 no hydrogen 2.779 N/A ALA 208.A N ILE 204.A O no hydrogen 2.681 N/A LEU 209.A N ILE 205.A O no hydrogen 2.831 N/A GLU 210.A N GLN 206.A O no hydrogen 2.889 N/A LYS 211.A N LYS 207.A O no hydrogen 2.613 N/A GLY 212.A N LEU 209.A O no hydrogen 3.043 N/A SER 213.A N ALA 208.A O no hydrogen 3.043 N/A SER 213.A OG ASN 317.A OD1 no hydrogen 3.062 N/A LEU 214.A N CYS 316.A O no hydrogen 2.563 N/A GLY 216.A N GLU 314.A O no hydrogen 3.060 N/A CYS 217.A N TYR 239.A O no hydrogen 3.033 N/A SER 218.A N ARG 312.A O no hydrogen 3.036 N/A ASP 220.A N SER 311.A OG no hydrogen 2.647 N/A SER 225.A OG ALA 224.A O no hydrogen 3.010 N/A ALA 227.A N GLU 226.A OE1 no hydrogen 2.830 N/A THR 229.A N LEU 233.A O no hydrogen 2.882 N/A THR 229.A OG1 LEU 233.A O no hydrogen 3.514 N/A LYS 232.A N THR 229.A O no hydrogen 2.763 N/A LEU 233.A N THR 229.A O no hydrogen 3.317 N/A VAL 234.A N TYR 239.A OH no hydrogen 2.626 N/A GLY 236.A N ILE 219.A O no hydrogen 2.823 N/A ALA 238.A N SER 82.A OG no hydrogen 3.172 N/A TYR 239.A N CYS 217.A O no hydrogen 2.943 N/A SER 240.A N ARG 260.A O no hydrogen 3.101 N/A SER 240.A OG ALA 86.A O no hydrogen 3.047 N/A VAL 241.A N LEU 215.A O no hydrogen 3.172 N/A THR 242.A N ARG 258.A O no hydrogen 2.642 N/A THR 242.A OG1 ARG 258.A O no hydrogen 3.385 N/A THR 242.A OG1 GLU 298.A OE1 no hydrogen 3.411 N/A GLY 243.A N ARG 258.A O no hydrogen 3.267 N/A GLU 245.A N LEU 256.A O no hydrogen 3.497 N/A VAL 247.A N GLN 254.A O no hydrogen 3.067 N/A SER 250.A N THR 281.A O no hydrogen 2.625 N/A SER 252.A N SER 249.A O no hydrogen 3.108 N/A GLN 254.A NE2 SER 252.A OG no hydrogen 3.330 N/A LEU 256.A N GLU 245.A O no hydrogen 3.257 N/A ILE 257.A N MET 301.A O no hydrogen 3.180 N/A ARG 258.A N GLY 243.A O no hydrogen 3.032 N/A ARG 258.A NE THR 242.A OG1 no hydrogen 2.778 N/A ILE 259.A N PHE 299.A O no hydrogen 2.909 N/A ARG 260.A N SER 240.A O no hydrogen 2.831 N/A ARG 260.A NH1 ILE 74.A O no hydrogen 3.139 N/A ARG 260.A NH2 ILE 74.A O no hydrogen 2.558 N/A ASN 261.A N GLY 297.A O no hydrogen 2.662 N/A ASN 261.A ND2 VAL 266.A O no hydrogen 3.257 N/A TRP 263.A N ASN 261.A OD1 no hydrogen 3.322 N/A GLY 264.A N ASN 261.A O no hydrogen 2.756 N/A VAL 266.A N GLU 295.A OE2 no hydrogen 3.120 N/A THR 269.A N GLN 231.A O no hydrogen 2.366 N/A THR 269.A OG1 GLN 231.A O no hydrogen 2.849 N/A ASN 273.A ND2 LYS 271.A O no hydrogen 3.335 N/A ASP 274.A N ASN 273.A OD1 no hydrogen 2.819 N/A CYS 276.A SG SER 278.A OG no hydrogen 3.094 N/A TRP 279.A N CYS 276.A O no hydrogen 3.100 N/A TRP 279.A NE1 ASN 273.A O no hydrogen 2.628 N/A THR 281.A N SER 278.A O no hydrogen 3.206 N/A THR 281.A OG1 SER 278.A O no hydrogen 2.696 N/A GLU 285.A N ASP 283.A OD2 no hydrogen 3.239 N/A ALA 288.A N PRO 284.A O no hydrogen 2.797 N/A LEU 290.A N ARG 287.A O no hydrogen 2.911 N/A THR 291.A N ARG 287.A O no hydrogen 2.902 N/A THR 291.A OG1 GLU 292.A O no hydrogen 3.180 N/A ARG 293.A NE ARG 293.A O no hydrogen 2.757 N/A ASP 296.A N GLU 267.A OE2 no hydrogen 2.702 N/A GLU 298.A N ASP 296.A OD1 no hydrogen 3.278 N/A PHE 299.A N ILE 259.A O no hydrogen 3.070 N/A MET 301.A N ILE 257.A O no hydrogen 3.146 N/A PHE 303.A N LYS 255.A O no hydrogen 3.144 N/A ASP 305.A N SER 302.A OG no hydrogen 2.671 N/A PHE 306.A N SER 302.A O no hydrogen 2.985 N/A LEU 307.A N PHE 303.A O no hydrogen 2.832 N/A ARG 308.A N SER 304.A O no hydrogen 2.860 N/A HIS 309.A N ASP 305.A O no hydrogen 2.573 N/A TYR 310.A N PHE 306.A O no hydrogen 3.112 N/A SER 311.A N SER 218.A O no hydrogen 3.035 N/A ARG 312.A N SER 218.A O no hydrogen 2.822 N/A LEU 313.A N TYR 192.A O no hydrogen 3.111 N/A GLU 314.A N GLY 216.A O no hydrogen 2.812 N/A ILE 315.A N GLU 190.A O no hydrogen 2.944 N/A CYS 316.A N LEU 214.A O no hydrogen 2.545 N/A CYS 316.A SG THR 185.A OG1 no hydrogen 3.339 N/A ASN 317.A N ILE 188.A O no hydrogen 3.175 N/A ASN 317.A ND2 GLU 190.A OE2 no hydrogen 3.166 N/A THR 322.A OG1 GLU 190.A OE1 no hydrogen 3.558 N/A THR 322.A OG1 THR 324.A OG1 no hydrogen 2.568 N/A THR 324.A OG1 THR 322.A OG1 no hydrogen 2.568 N/A CYS 325.A SG SER 327.A O no hydrogen 3.055 N/A LYS 329.A N ASP 321.A OD2 no hydrogen 2.846 N/A LYS 329.A NZ GLU 374.A OE2 no hydrogen 3.541 N/A TRP 331.A NE1 ASP 321.A OD2 no hydrogen 2.978 N/A LYS 332.A N SER 478.A O no hydrogen 2.877 N/A THR 334.A N VAL 476.A O no hydrogen 2.797 N/A LYS 335.A NZ GLY 124.A O no hydrogen 3.238 N/A MET 336.A N ILE 474.A O no hydrogen 3.245 N/A GLY 338.A N PHE 472.A O no hydrogen 2.823 N/A ASN 339.A ND2 ASP 471.A OD1 no hydrogen 2.687 N/A TRP 340.A N GLY 470.A O no hydrogen 2.565 N/A ARG 341.A N THR 345.A OG1 no hydrogen 2.682 N/A ARG 341.A NE TRP 340.A O no hydrogen 2.816 N/A ARG 341.A NH2 TRP 340.A O no hydrogen 3.136 N/A ARG 341.A NH2 ASP 471.A OD1 no hydrogen 2.735 N/A ARG 342.A N ASN 469.A OD1 no hydrogen 2.703 N/A SER 344.A N ARG 341.A O no hydrogen 2.999 N/A SER 344.A OG ARG 341.A O no hydrogen 3.192 N/A THR 345.A N ARG 341.A O no hydrogen 2.829 N/A THR 345.A OG1 ASN 339.A O no hydrogen 3.237 N/A THR 345.A OG1 ARG 341.A O no hydrogen 3.392 N/A ALA 346.A N ARG 341.A O no hydrogen 3.008 N/A GLY 347.A N ASN 359.A OD1 no hydrogen 3.135 N/A CYS 349.A N PHE 464.A O no hydrogen 3.066 N/A CYS 349.A SG PHE 464.A O no hydrogen 3.190 N/A ARG 350.A NE PHE 428.A O no hydrogen 2.800 N/A ARG 350.A NH2 ARG 350.A O no hydrogen 3.068 N/A TYR 352.A N CYS 349.A O no hydrogen 2.808 N/A THR 355.A N TYR 352.A O no hydrogen 3.049 N/A THR 355.A OG1 GLY 347.A O no hydrogen 2.696 N/A PHE 356.A N TYR 352.A O no hydrogen 2.736 N/A TRP 357.A NE1 ASN 354.A O no hydrogen 2.816 N/A MET 358.A N THR 355.A O no hydrogen 2.661 N/A ASN 359.A N PHE 356.A O no hydrogen 3.410 N/A ASN 359.A ND2 GLY 348.A O no hydrogen 2.871 N/A ASN 359.A ND2 PHE 356.A O no hydrogen 3.003 N/A GLN 361.A NE2 LEU 423.A O no hydrogen 3.088 N/A TYR 362.A OH ASP 337.A O no hydrogen 3.168 N/A LEU 366.A N GLY 455.A O no hydrogen 2.935 N/A ASP 370.A N GLU 367.A O no hydrogen 3.118 N/A GLU 371.A N GLU 368.A O no hydrogen 3.309 N/A ASP 372.A N GLY 379.A O no hydrogen 2.785 N/A GLY 379.A N ASP 372.A O no hydrogen 2.957 N/A CYS 380.A N LEU 452.A O no hydrogen 2.823 N/A CYS 380.A SG GLU 367.A O no hydrogen 3.548 N/A PHE 382.A N PHE 450.A O no hydrogen 3.033 N/A LEU 383.A N PHE 477.A O no hydrogen 2.914 N/A VAL 384.A N ASN 448.A O no hydrogen 3.321 N/A LEU 386.A N VAL 446.A O no hydrogen 2.990 N/A ILE 387.A N CYS 473.A O no hydrogen 3.037 N/A GLN 388.A N ARG 444.A O no hydrogen 2.933 N/A GLN 388.A NE2 HIS 402.A O no hydrogen 3.060 N/A GLN 388.A NE2 LEU 443.A O no hydrogen 3.027 N/A LYS 389.A N ASP 471.A O no hydrogen 2.913 N/A HIS 390.A N TYR 123.A OH no hydrogen 2.885 N/A ARG 391.A NH1 ASP 400.A O no hydrogen 2.556 N/A ARG 392.A NH1 ALA 171.A O no hydrogen 3.139 N/A ARG 392.A NH1 GLY 174.A O no hydrogen 2.752 N/A ARG 392.A NH2 GLY 174.A O no hydrogen 3.176 N/A ARG 392.A NH2 GLU 179.A OE2 no hydrogen 2.752 N/A ARG 393.A N HIS 390.A O no hydrogen 3.176 N/A GLN 394.A N ARG 391.A O no hydrogen 3.222 N/A GLY 398.A N ARG 395.A O no hydrogen 2.867 N/A HIS 402.A N GLN 388.A OE1 no hydrogen 3.001 N/A HIS 402.A NE2 ASN 469.A O no hydrogen 2.665 N/A ILE 404.A N ILE 441.A O no hydrogen 2.918 N/A GLY 405.A N SER 462.A O no hydrogen 3.226 N/A PHE 406.A N SER 437.A OG no hydrogen 2.698 N/A GLY 407.A N VAL 460.A O no hydrogen 3.369 N/A ILE 408.A N GLU 435.A O no hydrogen 2.644 N/A TYR 409.A N VAL 458.A O no hydrogen 3.004 N/A VAL 411.A N GLU 456.A O no hydrogen 3.182 N/A LEU 415.A N PRO 412.A O no hydrogen 2.860 N/A THR 419.A OG1 GLU 608.A OE2 no hydrogen 3.375 N/A ILE 421.A N THR 419.A O no hydrogen 2.665 N/A LEU 423.A N GLN 361.A OE1 no hydrogen 2.821 N/A PHE 427.A N SER 424.A OG no hydrogen 2.578 N/A PHE 428.A N SER 424.A O no hydrogen 3.250 N/A LEU 429.A N ASN 426.A O no hydrogen 3.016 N/A THR 430.A N PHE 427.A O no hydrogen 3.055 N/A THR 430.A OG1 ASN 426.A O no hydrogen 2.939 N/A THR 431.A OG1 PHE 427.A O no hydrogen 2.641 N/A ARG 434.A N ILE 408.A O no hydrogen 2.558 N/A ARG 434.A NE ARG 434.A O no hydrogen 2.988 N/A GLU 435.A N ILE 408.A O no hydrogen 3.412 N/A ARG 436.A N GLU 435.A OE2 no hydrogen 3.260 N/A SER 437.A N PHE 406.A O no hydrogen 2.838 N/A SER 437.A OG PHE 406.A O no hydrogen 3.051 N/A SER 437.A OG THR 439.A O no hydrogen 3.250 N/A ASP 438.A N ASN 448.A OD1 no hydrogen 3.245 N/A ILE 441.A N ILE 404.A O no hydrogen 3.189 N/A ARG 444.A NH1 ASP 183.A OD1 no hydrogen 3.321 N/A ARG 444.A NH1 ASP 183.A OD2 no hydrogen 3.404 N/A ARG 444.A NH2 GLU 182.A OE1 no hydrogen 3.568 N/A ARG 444.A NH2 ASP 183.A OD1 no hydrogen 3.273 N/A VAL 446.A N LEU 386.A O no hydrogen 2.939 N/A ASN 448.A N VAL 384.A O no hydrogen 3.181 N/A ARG 449.A NH1 PRO 320.A O no hydrogen 3.439 N/A ARG 449.A NH2 PRO 320.A O no hydrogen 2.712 N/A PHE 450.A N PHE 382.A O no hydrogen 2.765 N/A LYS 451.A NZ ASP 372.A O no hydrogen 3.386 N/A LYS 451.A NZ ASP 372.A OD2 no hydrogen 2.594 N/A LYS 451.A NZ GLU 374.A O no hydrogen 2.945 N/A LYS 451.A NZ GLU 377.A O no hydrogen 2.732 N/A LEU 452.A N CYS 380.A O no hydrogen 3.336 N/A GLY 455.A N LEU 366.A O no hydrogen 2.739 N/A TYR 457.A N ILE 364.A O no hydrogen 3.016 N/A TYR 457.A OH GLU 410.A OE2 no hydrogen 3.271 N/A TYR 457.A OH PRO 453.A O no hydrogen 2.798 N/A VAL 458.A N TYR 409.A O no hydrogen 2.763 N/A LEU 459.A N TYR 362.A O no hydrogen 2.746 N/A VAL 460.A N GLY 407.A O no hydrogen 2.903 N/A SER 462.A N GLY 405.A O no hydrogen 3.151 N/A SER 462.A OG GLY 405.A O no hydrogen 3.436 N/A SER 462.A OG THR 463.A O no hydrogen 3.192 N/A PHE 464.A N THR 403.A O no hydrogen 2.859 N/A HIS 467.A N ALA 346.A O no hydrogen 3.293 N/A GLY 470.A N TRP 340.A O no hydrogen 3.028 N/A PHE 472.A N GLY 338.A O no hydrogen 2.736 N/A CYS 473.A N ILE 387.A O no hydrogen 3.097 N/A CYS 473.A SG TYR 123.A O no hydrogen 3.691 N/A ILE 474.A N MET 336.A O no hydrogen 2.637 N/A ARG 475.A N GLY 385.A O no hydrogen 2.924 N/A ARG 475.A NH2 GLY 186.A O no hydrogen 2.934 N/A ARG 475.A NH2 GLY 187.A O no hydrogen 2.822 N/A VAL 476.A N THR 334.A O no hydrogen 2.813 N/A PHE 477.A N LEU 383.A O no hydrogen 2.948 N/A SER 478.A N LYS 332.A O no hydrogen 3.005 N/A GLU 479.A N THR 381.A O no hydrogen 3.068 N/A LYS 480.A N LYS 330.A O no hydrogen 2.983 N/A LYS 481.A N ASP 370.A OD1 no hydrogen 3.468 N/A LYS 481.A NZ GLU 479.A OE1 no hydrogen 2.543 N/A GLU 492.A N LYS 612.A O no hydrogen 3.196 N/A ALA 493.A N GLU 492.A OE1 no hydrogen 2.897 N/A ILE 505.A N ASN 501.A O no hydrogen 3.375 N/A ARG 510.A N GLY 506.A O no hydrogen 2.693 N/A ARG 511.A N ASP 507.A O no hydrogen 2.855 N/A LEU 512.A N GLY 508.A O no hydrogen 2.691 N/A PHE 513.A N PHE 509.A O no hydrogen 2.710 N/A LEU 516.A N LEU 512.A O no hydrogen 3.320 N/A ALA 517.A N PHE 513.A O no hydrogen 3.152 N/A GLU 522.A N ASP 520.A O no hydrogen 2.780 N/A ILE 523.A N LEU 567.A O no hydrogen 2.747 N/A SER 524.A N GLU 527.A OE1 no hydrogen 2.835 N/A GLU 527.A N SER 524.A OG no hydrogen 2.536 N/A LEU 528.A N SER 524.A O no hydrogen 3.081 N/A GLN 529.A N ALA 525.A O no hydrogen 3.233 N/A GLN 529.A NE2 PHE 547.A O no hydrogen 3.147 N/A THR 530.A N PHE 526.A O no hydrogen 3.453 N/A THR 530.A OG1 PHE 526.A O no hydrogen 3.297 N/A ILE 531.A N GLU 527.A O no hydrogen 3.184 N/A LEU 532.A N LEU 528.A O no hydrogen 2.948 N/A ARG 533.A N GLN 529.A O no hydrogen 3.024 N/A ARG 534.A N THR 530.A O no hydrogen 3.149 N/A VAL 535.A N ILE 531.A O no hydrogen 3.117 N/A LEU 536.A N LEU 532.A O no hydrogen 3.052 N/A ALA 537.A N ARG 533.A O no hydrogen 2.767 N/A LYS 538.A N VAL 535.A O no hydrogen 2.884 N/A ARG 539.A N VAL 535.A O no hydrogen 2.786 N/A ASP 541.A N ASP 541.A OD1 no hydrogen 2.231 N/A LYS 543.A N GLY 595.A O no hydrogen 3.007 N/A SER 544.A OG ASP 635.A OD2 no hydrogen 2.867 N/A GLY 546.A N SER 544.A OG no hydrogen 2.837 N/A SER 548.A OG THR 551.A OG1 no hydrogen 2.690 N/A THR 551.A N SER 548.A O no hydrogen 3.190 N/A THR 551.A OG1 SER 548.A O no hydrogen 3.130 N/A THR 551.A OG1 SER 548.A OG no hydrogen 2.690 N/A CYS 552.A N SER 548.A O no hydrogen 3.429 N/A CYS 552.A SG SER 548.A O no hydrogen 3.814 N/A LYS 553.A N ILE 549.A O no hydrogen 3.029 N/A MET 555.A N THR 551.A O no hydrogen 2.988 N/A VAL 556.A N CYS 552.A O no hydrogen 3.097 N/A ASP 557.A N LYS 553.A O no hydrogen 2.912 N/A MET 558.A N VAL 556.A O no hydrogen 2.295 N/A LEU 559.A N VAL 556.A O no hydrogen 2.778 N/A SER 564.A OG GLU 522.A OE1 no hydrogen 2.680 N/A SER 564.A OG GLU 522.A OE2 no hydrogen 3.310 N/A LEU 567.A N ILE 523.A O no hydrogen 3.029 N/A GLY 568.A N GLU 571.A OE1 no hydrogen 3.079 N/A PHE 572.A N GLY 568.A O no hydrogen 2.450 N/A TYR 573.A N LEU 569.A O no hydrogen 2.432 N/A ILE 574.A N LYS 570.A O no hydrogen 2.935 N/A LEU 575.A N GLU 571.A O no hydrogen 3.170 N/A TRP 576.A N PHE 572.A O no hydrogen 2.827 N/A THR 577.A N TYR 573.A O no hydrogen 3.164 N/A THR 577.A OG1 TYR 573.A O no hydrogen 2.986 N/A LYS 578.A N ILE 574.A O no hydrogen 3.075 N/A LYS 578.A N LEU 575.A O no hydrogen 3.120 N/A LYS 578.A NZ GLU 645.A OE1 no hydrogen 2.707 N/A ILE 579.A N LEU 575.A O no hydrogen 3.039 N/A GLN 580.A N TRP 576.A O no hydrogen 2.736 N/A LYS 581.A N THR 577.A O no hydrogen 3.304 N/A LYS 581.A N LYS 578.A O no hydrogen 3.188 N/A TYR 582.A N LYS 578.A O no hydrogen 2.927 N/A TYR 582.A OH GLU 645.A OE1 no hydrogen 3.338 N/A TYR 582.A OH GLU 645.A OE2 no hydrogen 3.208 N/A LYS 584.A N GLN 580.A O no hydrogen 2.998 N/A ILE 585.A N LYS 581.A O no hydrogen 3.028 N/A TYR 586.A N TYR 582.A O no hydrogen 3.297 N/A TYR 586.A OH GLY 595.A O no hydrogen 3.226 N/A TYR 586.A OH ILE 632.A O no hydrogen 3.153 N/A ARG 587.A N GLN 583.A O no hydrogen 2.784 N/A ARG 587.A NE ASP 541.A OD2 no hydrogen 3.197 N/A ARG 587.A NH2 ASP 541.A OD2 no hydrogen 2.984 N/A GLU 588.A N LYS 584.A O no hydrogen 2.726 N/A ILE 589.A N ILE 585.A O no hydrogen 2.684 N/A ASP 590.A N TYR 586.A O no hydrogen 2.985 N/A ASP 590.A N ARG 587.A O no hydrogen 2.811 N/A ARG 593.A N ASP 590.A O no hydrogen 3.157 N/A SER 594.A N ASP 592.A OD1 no hydrogen 3.264 N/A SER 594.A OG ASP 590.A OD1 no hydrogen 3.111 N/A SER 594.A OG ASP 592.A OD1 no hydrogen 3.250 N/A SER 594.A OG THR 596.A OG1 no hydrogen 2.478 N/A GLY 595.A N ASP 590.A OD2 no hydrogen 2.508 N/A THR 596.A N SER 594.A OG no hydrogen 2.973 N/A THR 596.A OG1 SER 594.A OG no hydrogen 2.478 N/A MET 597.A N ILE 632.A O no hydrogen 2.963 N/A ASN 598.A N GLU 601.A OE1 no hydrogen 2.832 N/A SER 599.A OG ASN 339.A OD1 no hydrogen 3.074 N/A GLU 601.A N ASN 598.A OD1 no hydrogen 2.690 N/A MET 602.A N ASN 598.A O no hydrogen 2.924 N/A ARG 603.A N SER 599.A O no hydrogen 3.227 N/A ARG 603.A NH2 GLU 607.A OE2 no hydrogen 3.424 N/A LYS 604.A N TYR 600.A O no hydrogen 3.084 N/A LYS 604.A NZ ILE 421.A O no hydrogen 3.150 N/A ALA 605.A N GLU 601.A O no hydrogen 2.700 N/A LEU 606.A N MET 602.A O no hydrogen 2.767 N/A GLU 607.A N ARG 603.A O no hydrogen 3.276 N/A GLU 608.A N LYS 604.A O no hydrogen 2.987 N/A ALA 609.A N ALA 605.A O no hydrogen 2.907 N/A GLY 610.A N GLU 607.A O no hydrogen 3.041 N/A LYS 612.A N GLU 492.A O no hydrogen 2.838 N/A CYS 615.A SG LYS 335.A O no hydrogen 3.871 N/A CYS 615.A SG ASP 337.A OD2 no hydrogen 3.741 N/A LEU 617.A N PRO 614.A O no hydrogen 2.955 N/A HIS 618.A N PRO 614.A O no hydrogen 3.149 N/A GLN 619.A N CYS 615.A O no hydrogen 2.866 N/A VAL 620.A N LEU 617.A O no hydrogen 2.744 N/A ILE 621.A N LEU 617.A O no hydrogen 2.997 N/A VAL 622.A N HIS 618.A O no hydrogen 2.865 N/A ALA 623.A N GLN 619.A O no hydrogen 3.308 N/A ARG 624.A N ILE 621.A O no hydrogen 2.981 N/A PHE 625.A N ILE 621.A O no hydrogen 2.743 N/A PHE 625.A N VAL 622.A O no hydrogen 3.221 N/A ASP 627.A N ILE 631.A O no hydrogen 2.979 N/A GLU 629.A N ASP 627.A OD1 no hydrogen 3.096 N/A LEU 630.A N ASP 627.A O no hydrogen 2.874 N/A ILE 632.A N MET 597.A O no hydrogen 2.889 N/A PHE 634.A N LYS 543.A O no hydrogen 3.058 N/A ASN 636.A N ASP 633.A OD2 no hydrogen 2.906 N/A ASN 636.A ND2 PHE 625.A O no hydrogen 2.825 N/A PHE 637.A N ASP 633.A O no hydrogen 3.056 N/A VAL 638.A N PHE 634.A O no hydrogen 3.035 N/A ARG 639.A N ASP 635.A O no hydrogen 2.917 N/A ARG 639.A NH1 ASP 635.A OD1 no hydrogen 3.250 N/A CYS 640.A N ASN 636.A O no hydrogen 2.891 N/A LEU 641.A N PHE 637.A O no hydrogen 2.892 N/A VAL 642.A N VAL 638.A O no hydrogen 2.604 N/A ARG 643.A N ARG 639.A O no hydrogen 2.938 N/A LEU 644.A N CYS 640.A O no hydrogen 3.200 N/A GLU 645.A N LEU 641.A O no hydrogen 3.000 N/A ILE 646.A N ARG 643.A O no hydrogen 2.986 N/A LEU 647.A N ARG 643.A O no hydrogen 2.828 N/A PHE 648.A N LEU 644.A O no hydrogen 3.097 N/A ILE 650.A N ILE 646.A O no hydrogen 2.603 N/A PHE 651.A N LEU 647.A O no hydrogen 2.940 N/A LYS 652.A N PHE 648.A O no hydrogen 3.034 N/A LEU 654.A N LYS 652.A O no hydrogen 2.738 N/A ASN 658.A N ASP 655.A O no hydrogen 3.244 N/A THR 659.A OG1 ASP 655.A OD2 no hydrogen 2.670 N/A THR 659.A OG1 THR 661.A O no hydrogen 3.012 N/A THR 661.A N THR 659.A O no hydrogen 2.343 N/A SER 668.A OG ASP 665.A OD1 no hydrogen 2.877 N/A TRP 669.A N ASP 665.A O no hydrogen 2.869 N/A LEU 670.A N LEU 666.A O no hydrogen 3.064 N/A SER 671.A N ILE 667.A O no hydrogen 3.104 N/A SER 671.A OG ILE 667.A O no hydrogen 3.494 N/A SER 671.A OG SER 668.A O no hydrogen 2.930 N/A PHE 672.A N SER 668.A O no hydrogen 2.961 N/A PHE 672.A N TRP 669.A O no hydrogen 3.306 N/A SER 673.A N TRP 669.A O no hydrogen 2.932 N/A SER 673.A OG TRP 669.A O no hydrogen 2.601 N/A SER 673.A OG LEU 670.A O no hydrogen 3.389 N/A LEU 675.A N PHE 672.A O no hydrogen 3.110 N/A