Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5w0p_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N PHE 3.A O no hydrogen 3.238 N/A ARG 7.A NH2 SER 441.A OG no hydrogen 2.661 N/A ASP 9.A N MET 5.A O no hydrogen 2.987 N/A GLU 10.A N LEU 6.A O no hydrogen 3.040 N/A ARG 13.A N GLY 27.A O no hydrogen 3.237 N/A TYR 17.A N THR 25.A O no hydrogen 3.158 N/A ASP 19.A N TYR 23.A O no hydrogen 3.151 N/A GLY 22.A N ASP 19.A O no hydrogen 2.963 N/A TYR 23.A N ASP 19.A OD1 no hydrogen 2.701 N/A TYR 24.A OH PRO 36.A O no hydrogen 3.083 N/A THR 25.A N TYR 17.A O no hydrogen 2.871 N/A THR 25.A OG1 TYR 23.A O no hydrogen 3.107 N/A ILE 26.A N HIS 30.A O no hydrogen 2.926 N/A GLY 27.A N ARG 13.A O no hydrogen 3.015 N/A HIS 30.A N ILE 26.A O no hydrogen 3.333 N/A HIS 30.A ND1 ASP 69.A OD1 no hydrogen 3.024 N/A LEU 32.A N TYR 24.A O no hydrogen 3.075 N/A THR 33.A N TYR 24.A O no hydrogen 3.483 N/A SER 35.A N THR 33.A OG1 no hydrogen 3.197 N/A LYS 42.A N LEU 38.A O no hydrogen 3.023 N/A SER 43.A N ASN 39.A O no hydrogen 2.738 N/A GLU 44.A N ALA 40.A O no hydrogen 3.099 N/A LEU 45.A N ALA 41.A O no hydrogen 3.065 N/A ASP 46.A N LYS 42.A O no hydrogen 3.039 N/A LYS 47.A N SER 43.A O no hydrogen 3.372 N/A LYS 47.A NZ GLU 44.A OE2 no hydrogen 3.033 N/A ALA 48.A N GLU 44.A O no hydrogen 3.268 N/A ILE 49.A N LEU 45.A O no hydrogen 2.848 N/A GLY 50.A N ASP 46.A O no hydrogen 2.762 N/A ARG 51.A NE GLU 61.A OE2 no hydrogen 3.372 N/A ARG 51.A NH2 GLU 61.A OE1 no hydrogen 3.338 N/A ARG 51.A NH2 GLU 61.A OE2 no hydrogen 3.260 N/A THR 53.A N ASP 46.A OD1 no hydrogen 2.996 N/A THR 53.A OG1 ASP 46.A OD1 no hydrogen 2.815 N/A THR 58.A N GLU 61.A OE1 no hydrogen 3.030 N/A LYS 59.A NZ ASP 60.A OD1 no hydrogen 3.386 N/A ALA 62.A N THR 58.A O no hydrogen 3.023 N/A GLU 63.A N LYS 59.A O no hydrogen 2.881 N/A LYS 64.A N ASP 60.A O no hydrogen 3.262 N/A LEU 65.A N GLU 61.A O no hydrogen 3.143 N/A PHE 66.A N ALA 62.A O no hydrogen 3.074 N/A ASN 67.A N GLU 63.A O no hydrogen 3.085 N/A GLN 68.A N LYS 64.A O no hydrogen 3.238 N/A GLN 68.A NE2 GLN 68.A O no hydrogen 3.381 N/A ASP 69.A N LEU 65.A O no hydrogen 3.377 N/A VAL 70.A N PHE 66.A O no hydrogen 2.845 N/A ASP 71.A N ASN 67.A O no hydrogen 2.672 N/A ALA 72.A N GLN 68.A O no hydrogen 2.833 N/A ALA 73.A N ASP 69.A O no hydrogen 2.879 N/A VAL 74.A N VAL 70.A O no hydrogen 2.852 N/A GLY 76.A N ALA 72.A O no hydrogen 3.040 N/A ILE 77.A N ALA 73.A O no hydrogen 3.129 N/A LEU 78.A N VAL 74.A O no hydrogen 3.235 N/A ARG 79.A N ARG 75.A O no hydrogen 3.056 N/A ASN 80.A N GLY 76.A O no hydrogen 3.208 N/A ASN 80.A ND2 GLU 107.A OE2 no hydrogen 3.039 N/A LYS 82.A N ASN 80.A OD1 no hydrogen 3.008 N/A LYS 84.A N ASN 80.A O no hydrogen 3.253 N/A LYS 84.A NZ ASP 88.A OD2 no hydrogen 3.142 N/A TYR 87.A N LEU 83.A O no hydrogen 2.910 N/A ASP 88.A N LYS 84.A O no hydrogen 2.901 N/A SER 89.A N PRO 85.A O no hydrogen 3.128 N/A LEU 90.A N VAL 86.A O no hydrogen 3.271 N/A ARG 94.A NE PHE 152.A O no hydrogen 3.060 N/A ARG 94.A NH1 ASP 91.A OD1 no hydrogen 2.954 N/A ARG 95.A N ASP 91.A O no hydrogen 2.797 N/A ARG 95.A NE TYR 87.A O no hydrogen 2.792 N/A ARG 95.A NE LEU 90.A O no hydrogen 2.919 N/A ARG 95.A NH2 ASP 88.A O no hydrogen 3.271 N/A ALA 96.A N ALA 92.A O no hydrogen 3.359 N/A LEU 98.A N ARG 94.A O no hydrogen 3.302 N/A ILE 99.A N ARG 95.A O no hydrogen 3.154 N/A ASN 100.A N ALA 96.A O no hydrogen 3.232 N/A ASN 100.A ND2 ASP 9.A OD2 no hydrogen 2.804 N/A MET 101.A N ALA 97.A O no hydrogen 3.409 N/A VAL 102.A N LEU 98.A O no hydrogen 3.038 N/A PHE 103.A N ILE 99.A O no hydrogen 2.610 N/A GLN 104.A N ASN 100.A O no hydrogen 2.994 N/A MET 105.A N MET 101.A O no hydrogen 3.049 N/A GLY 106.A N VAL 102.A O no hydrogen 2.936 N/A VAL 110.A N GLY 106.A O no hydrogen 3.305 N/A ALA 111.A N GLU 107.A O no hydrogen 3.133 N/A GLY 112.A N GLY 109.A O no hydrogen 3.442 N/A PHE 113.A N VAL 110.A O no hydrogen 3.268 N/A SER 116.A OG ASN 131.A OD1 no hydrogen 2.769 N/A ARG 118.A N THR 114.A O no hydrogen 3.169 N/A MET 119.A N ASN 115.A O no hydrogen 3.359 N/A GLN 121.A N ARG 118.A O no hydrogen 3.218 N/A GLN 121.A NE2 PRO 85.A O no hydrogen 2.988 N/A GLN 122.A N ARG 118.A O no hydrogen 3.416 N/A ARG 124.A N MET 119.A O no hydrogen 2.835 N/A ARG 124.A NH1 GLN 122.A OE1 no hydrogen 2.585 N/A ALA 129.A N TRP 125.A O no hydrogen 3.308 N/A VAL 130.A N ASP 126.A O no hydrogen 3.227 N/A ASN 131.A N GLU 127.A O no hydrogen 3.093 N/A LEU 132.A N ALA 128.A O no hydrogen 3.204 N/A ALA 133.A N ALA 129.A O no hydrogen 3.091 N/A LYS 134.A N VAL 130.A O no hydrogen 2.984 N/A SER 135.A OG LEU 132.A O no hydrogen 2.709 N/A GLN 140.A N ARG 136.A O no hydrogen 2.794 N/A THR 141.A N TRP 137.A O no hydrogen 3.176 N/A THR 141.A OG1 THR 141.A O no hydrogen 2.573 N/A ARG 144.A N ASN 143.A OD1 no hydrogen 2.733 N/A ARG 144.A NH1 GLU 10.A OE1 no hydrogen 2.930 N/A ARG 144.A NH2 GLU 10.A OE1 no hydrogen 2.679 N/A ALA 145.A N THR 141.A O no hydrogen 2.867 N/A LYS 146.A N PRO 142.A O no hydrogen 3.108 N/A ARG 147.A NE ASP 9.A OD1 no hydrogen 3.160 N/A ARG 147.A NH2 ASP 9.A OD1 no hydrogen 2.857 N/A ILE 149.A N ALA 145.A O no hydrogen 2.843 N/A THR 150.A N LYS 146.A O no hydrogen 3.110 N/A THR 150.A OG1 LYS 146.A O no hydrogen 2.687 N/A THR 151.A N ARG 147.A O no hydrogen 3.391 N/A THR 151.A OG1 ARG 147.A O no hydrogen 2.753 N/A PHE 152.A N VAL 148.A O no hydrogen 3.324 N/A ARG 153.A N ILE 149.A O no hydrogen 3.017 N/A THR 154.A N THR 150.A O no hydrogen 2.685 N/A THR 154.A OG1 THR 150.A O no hydrogen 2.536 N/A THR 154.A OG1 THR 156.A OG1 no hydrogen 3.035 N/A GLY 155.A N THR 151.A O no hydrogen 2.894 N/A THR 156.A OG1 THR 154.A OG1 no hydrogen 3.035 N/A TYR 160.A N TRP 157.A O no hydrogen 3.114 N/A TYR 160.A OH ASP 9.A OD2 no hydrogen 3.021 N/A CYS 162.A SG GLY 440.A O no hydrogen 3.873 N/A THR 164.A N PHE 173.A O no hydrogen 3.186 N/A THR 164.A OG1 VAL 171.A O no hydrogen 3.391 N/A THR 164.A OG1 PHE 173.A O no hydrogen 3.569 N/A GLY 166.A N PHE 169.A O no hydrogen 2.867 N/A VAL 171.A N THR 164.A O no hydrogen 3.100 N/A PHE 173.A N VAL 171.A O no hydrogen 2.868 N/A ALA 176.A N SER 174.A OG no hydrogen 3.359 N/A ARG 181.A N TYR 190.A OH no hydrogen 3.297 N/A PHE 184.A N SER 182.A OG no hydrogen 3.404 N/A TYR 186.A N SER 182.A O no hydrogen 2.917 N/A GLN 188.A NE2 ARG 181.A O no hydrogen 3.076 N/A GLN 188.A NE2 TYR 186.A O no hydrogen 3.116 N/A TYR 189.A OH HIS 260.A O no hydrogen 2.838 N/A TYR 190.A OH ARG 181.A O no hydrogen 3.091 N/A LEU 191.A N GLN 188.A O no hydrogen 3.157 N/A TRP 195.A NE1 GLU 193.A OE1 no hydrogen 2.734 N/A GLN 196.A N GLU 193.A O no hydrogen 2.899 N/A PHE 197.A N PRO 194.A O no hydrogen 3.171 N/A MET 199.A N TRP 195.A O no hydrogen 2.916 N/A LEU 200.A N GLN 196.A O no hydrogen 3.143 N/A ALA 201.A N PHE 197.A O no hydrogen 2.975 N/A ALA 202.A N SER 198.A O no hydrogen 2.976 N/A TYR 203.A N MET 199.A O no hydrogen 2.914 N/A TYR 203.A OH PHE 453.A O no hydrogen 2.965 N/A TYR 203.A OH SER 457.A OG no hydrogen 2.778 N/A MET 204.A N LEU 200.A O no hydrogen 2.686 N/A PHE 205.A N ALA 201.A O no hydrogen 2.981 N/A LEU 206.A N ALA 202.A O no hydrogen 3.135 N/A LEU 207.A N TYR 203.A O no hydrogen 3.222 N/A ILE 208.A N MET 204.A O no hydrogen 3.273 N/A VAL 209.A N PHE 205.A O no hydrogen 2.894 N/A LEU 210.A N LEU 206.A O no hydrogen 2.837 N/A GLY 211.A N LEU 207.A O no hydrogen 2.790 N/A PHE 212.A N ILE 208.A O no hydrogen 3.354 N/A ASN 215.A N GLY 211.A O no hydrogen 3.196 N/A ASN 215.A ND2 GLY 211.A O no hydrogen 2.704 N/A ASN 215.A ND2 ALA 459.A O no hydrogen 3.643 N/A PHE 216.A N PHE 212.A O no hydrogen 2.721 N/A LEU 217.A N PRO 213.A O no hydrogen 2.759 N/A THR 218.A N ILE 214.A O no hydrogen 3.322 N/A THR 218.A OG1 ILE 214.A O no hydrogen 2.722 N/A LEU 219.A N ASN 215.A O no hydrogen 3.461 N/A TYR 220.A N PHE 216.A O no hydrogen 2.803 N/A VAL 221.A N LEU 217.A O no hydrogen 2.865 N/A THR 222.A OG1 THR 218.A O no hydrogen 2.588 N/A VAL 223.A N LEU 219.A O no hydrogen 3.336 N/A GLN 224.A N TYR 220.A O no hydrogen 3.353 N/A HIS 225.A N VAL 221.A O no hydrogen 2.803 N/A ARG 229.A N LYS 226.A O no hydrogen 3.275 N/A ASN 233.A N THR 230.A O no hydrogen 3.041 N/A ASN 233.A ND2 LEU 228.A O no hydrogen 3.097 N/A TYR 234.A N PRO 231.A O no hydrogen 3.274 N/A LEU 237.A N ASN 233.A O no hydrogen 2.925 N/A ASN 238.A N TYR 234.A O no hydrogen 3.069 N/A LEU 239.A N ILE 235.A O no hydrogen 3.334 N/A VAL 241.A N LEU 237.A O no hydrogen 3.206 N/A ALA 242.A N ASN 238.A O no hydrogen 2.915 N/A ASP 243.A N LEU 239.A O no hydrogen 2.877 N/A LEU 244.A N ALA 240.A O no hydrogen 3.002 N/A PHE 245.A N VAL 241.A O no hydrogen 3.169 N/A VAL 247.A N ASP 243.A O no hydrogen 3.151 N/A LEU 248.A N LEU 244.A O no hydrogen 2.698 N/A GLY 249.A N PHE 245.A O no hydrogen 3.102 N/A GLY 250.A N PHE 245.A O no hydrogen 3.329 N/A PHE 251.A N MET 246.A O no hydrogen 2.757 N/A THR 252.A N VAL 247.A O no hydrogen 3.159 N/A THR 252.A OG1 VAL 247.A O no hydrogen 2.844 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.921 N/A SER 253.A OG GLY 249.A O no hydrogen 2.820 N/A SER 253.A OG GLY 250.A O no hydrogen 2.850 N/A THR 254.A N GLY 250.A O no hydrogen 2.931 N/A THR 254.A OG1 GLY 250.A O no hydrogen 2.583 N/A THR 254.A OG1 GLN 273.A OE1 no hydrogen 3.110 N/A LEU 255.A N PHE 251.A O no hydrogen 2.828 N/A TYR 256.A N THR 252.A O no hydrogen 3.443 N/A THR 257.A N SER 253.A O no hydrogen 3.061 N/A THR 257.A OG1 SER 253.A O no hydrogen 3.380 N/A THR 257.A OG1 THR 254.A O no hydrogen 2.861 N/A THR 257.A OG1 CYS 345.A O no hydrogen 2.534 N/A SER 258.A N THR 254.A O no hydrogen 2.969 N/A SER 258.A OG THR 254.A O no hydrogen 2.506 N/A LEU 259.A N LEU 255.A O no hydrogen 2.933 N/A HIS 260.A N TYR 256.A O no hydrogen 3.484 N/A GLY 261.A N THR 257.A O no hydrogen 2.829 N/A PHE 263.A N PRO 183.A O no hydrogen 2.901 N/A CYS 270.A N GLY 266.A O no hydrogen 2.942 N/A CYS 270.A SG TYR 338.A O no hydrogen 3.737 N/A ASN 271.A N PRO 267.A O no hydrogen 3.129 N/A LEU 272.A N THR 268.A O no hydrogen 3.417 N/A GLN 273.A N GLY 269.A O no hydrogen 2.970 N/A GLY 274.A N CYS 270.A O no hydrogen 3.072 N/A PHE 275.A N ASN 271.A O no hydrogen 2.716 N/A PHE 276.A N LEU 272.A O no hydrogen 2.995 N/A ALA 277.A N GLN 273.A O no hydrogen 2.982 N/A THR 278.A N GLY 274.A O no hydrogen 3.056 N/A THR 278.A OG1 GLY 274.A O no hydrogen 2.684 N/A LEU 279.A N PHE 275.A O no hydrogen 2.756 N/A GLY 280.A N PHE 276.A O no hydrogen 2.733 N/A GLY 281.A N ALA 277.A O no hydrogen 3.138 N/A GLU 282.A N THR 278.A O no hydrogen 2.734 N/A ILE 283.A N LEU 279.A O no hydrogen 2.814 N/A LEU 285.A N GLY 281.A O no hydrogen 2.995 N/A TRP 286.A N GLU 282.A O no hydrogen 3.237 N/A SER 287.A N ILE 283.A O no hydrogen 2.940 N/A SER 287.A OG ILE 283.A O no hydrogen 2.635 N/A LEU 288.A N LEU 285.A O no hydrogen 3.085 N/A VAL 289.A N LEU 285.A O no hydrogen 3.269 N/A VAL 290.A N TRP 286.A O no hydrogen 2.892 N/A LEU 291.A N SER 287.A O no hydrogen 2.851 N/A ALA 292.A N LEU 288.A O no hydrogen 2.972 N/A ILE 293.A N VAL 289.A O no hydrogen 2.926 N/A GLU 294.A N VAL 290.A O no hydrogen 2.737 N/A ARG 295.A N LEU 291.A O no hydrogen 2.818 N/A ARG 295.A NH1 TYR 417.A OH no hydrogen 3.161 N/A TYR 296.A N ALA 292.A O no hydrogen 3.090 N/A VAL 297.A N ILE 293.A O no hydrogen 3.102 N/A VAL 298.A N GLU 294.A O no hydrogen 2.952 N/A CYS 300.A N TYR 296.A O no hydrogen 3.485 N/A CYS 300.A SG TYR 296.A O no hydrogen 3.480 N/A CYS 300.A SG THR 389.A OG1 no hydrogen 3.657 N/A LYS 301.A N VAL 297.A O no hydrogen 3.129 N/A LYS 301.A NZ SER 740.A OG no hydrogen 3.197 N/A LYS 301.A NZ ASP 742.A OD1 no hydrogen 2.708 N/A SER 304.A N LYS 301.A O no hydrogen 3.225 N/A ARG 307.A N MET 303.A O no hydrogen 3.329 N/A PHE 308.A N ASN 305.A O no hydrogen 3.304 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.873 N/A ALA 313.A N GLY 309.A O no hydrogen 3.282 N/A ILE 314.A N GLU 310.A O no hydrogen 2.856 N/A MET 315.A N ASN 311.A O no hydrogen 3.054 N/A GLY 316.A N HIS 312.A O no hydrogen 3.322 N/A VAL 317.A N ALA 313.A O no hydrogen 2.990 N/A ALA 318.A N ILE 314.A O no hydrogen 2.737 N/A PHE 319.A N MET 315.A O no hydrogen 3.079 N/A THR 320.A N GLY 316.A O no hydrogen 3.203 N/A THR 320.A OG1 GLY 316.A O no hydrogen 2.723 N/A TRP 321.A N VAL 317.A O no hydrogen 3.212 N/A TRP 321.A NE1 ASN 238.A OD1 no hydrogen 2.947 N/A VAL 322.A N ALA 318.A O no hydrogen 2.937 N/A MET 323.A N PHE 319.A O no hydrogen 3.034 N/A ALA 324.A N THR 320.A O no hydrogen 2.834 N/A LEU 325.A N TRP 321.A O no hydrogen 3.006 N/A ALA 326.A N VAL 322.A O no hydrogen 3.039 N/A ALA 328.A N ALA 324.A O no hydrogen 2.981 N/A ALA 329.A N LEU 325.A O no hydrogen 3.021 N/A ALA 333.A N ALA 329.A O no hydrogen 2.934 N/A TRP 335.A NE1 SER 362.A OG no hydrogen 2.933 N/A SER 336.A N VAL 358.A O no hydrogen 2.779 N/A SER 336.A OG ASN 360.A OD1 no hydrogen 2.676 N/A ARG 337.A NE ASP 350.A OD2 no hydrogen 3.057 N/A ARG 337.A NH2 ASP 350.A OD2 no hydrogen 3.471 N/A TYR 338.A OH ALA 328.A O no hydrogen 2.628 N/A ILE 339.A N GLY 348.A O no hydrogen 3.014 N/A GLU 341.A N SER 346.A O no hydrogen 2.737 N/A GLN 344.A N GLU 341.A O no hydrogen 3.089 N/A GLN 344.A NE2 PRO 340.A O no hydrogen 2.772 N/A GLN 344.A NE2 GLY 342.A O no hydrogen 3.147 N/A CYS 345.A SG THR 257.A O no hydrogen 3.819 N/A CYS 345.A SG GLY 261.A O no hydrogen 3.315 N/A CYS 345.A SG LEU 343.A O no hydrogen 3.884 N/A CYS 347.A N GLN 273.A OE1 no hydrogen 3.125 N/A GLY 348.A N ILE 339.A O no hydrogen 2.940 N/A ASP 350.A N ARG 337.A O no hydrogen 3.105 N/A TYR 351.A OH GLU 341.A OE1 no hydrogen 3.376 N/A THR 353.A N ASP 350.A OD1 no hydrogen 3.085 N/A THR 353.A OG1 ASP 350.A OD1 no hydrogen 3.323 N/A LYS 355.A NZ GLU 357.A OE1 no hydrogen 3.337 N/A ASN 360.A N LYS 355.A O no hydrogen 3.387 N/A ASN 360.A ND2 THR 353.A O no hydrogen 2.725 N/A SER 362.A OG ASN 359.A O no hydrogen 3.210 N/A PHE 363.A N ASN 359.A O no hydrogen 3.483 N/A VAL 364.A N ASN 360.A O no hydrogen 3.055 N/A ILE 365.A N GLU 361.A O no hydrogen 3.377 N/A TYR 366.A N SER 362.A O no hydrogen 2.828 N/A TYR 366.A OH HIS 371.A NE2 no hydrogen 3.207 N/A MET 367.A N PHE 363.A O no hydrogen 2.741 N/A PHE 368.A N VAL 364.A O no hydrogen 2.762 N/A VAL 369.A N ILE 365.A O no hydrogen 2.952 N/A VAL 370.A N TYR 366.A O no hydrogen 2.908 N/A HIS 371.A N MET 367.A O no hydrogen 2.985 N/A HIS 371.A ND1 GLU 282.A OE2 no hydrogen 2.823 N/A HIS 371.A NE2 TYR 366.A OH no hydrogen 3.207 N/A THR 373.A N PHE 368.A O no hydrogen 2.968 N/A THR 373.A OG1 PHE 368.A O no hydrogen 2.619 N/A ILE 374.A N VAL 369.A O no hydrogen 3.183 N/A MET 376.A N PHE 372.A O no hydrogen 3.014 N/A ILE 377.A N THR 373.A O no hydrogen 2.897 N/A ILE 378.A N ILE 374.A O no hydrogen 2.994 N/A ILE 379.A N PRO 375.A O no hydrogen 3.165 N/A PHE 380.A N MET 376.A O no hydrogen 3.283 N/A PHE 381.A N ILE 377.A O no hydrogen 2.828 N/A CYS 382.A N ILE 378.A O no hydrogen 2.797 N/A CYS 382.A SG ILE 378.A O no hydrogen 3.243 N/A TYR 383.A N ILE 379.A O no hydrogen 3.097 N/A GLY 384.A N PHE 380.A O no hydrogen 2.972 N/A GLN 385.A N PHE 381.A O no hydrogen 2.753 N/A LEU 386.A N CYS 382.A O no hydrogen 2.844 N/A VAL 387.A N TYR 383.A O no hydrogen 3.228 N/A PHE 388.A N GLY 384.A O no hydrogen 3.175 N/A THR 389.A N GLN 385.A O no hydrogen 3.029 N/A THR 389.A OG1 GLN 385.A O no hydrogen 2.592 N/A VAL 390.A N LEU 386.A O no hydrogen 3.238 N/A LYS 391.A N VAL 387.A O no hydrogen 2.811 N/A GLU 392.A N PHE 388.A O no hydrogen 3.213 N/A ALA 393.A N THR 389.A O no hydrogen 2.929 N/A ALA 394.A N VAL 390.A O no hydrogen 2.770 N/A ALA 395.A N LYS 391.A O no hydrogen 3.221 N/A GLN 396.A N GLU 392.A O no hydrogen 3.404 N/A GLN 397.A N ALA 393.A O no hydrogen 3.493 N/A GLN 397.A NE2 LEU 572.A O no hydrogen 2.595 N/A GLN 398.A NE2 ALA 395.A O no hydrogen 3.331 N/A GLU 399.A N GLU 399.A OE1 no hydrogen 2.673 N/A SER 400.A OG THR 402.A OG1 no hydrogen 2.727 N/A THR 402.A OG1 SER 400.A OG no hydrogen 2.727 N/A THR 403.A OG1 SER 400.A O no hydrogen 2.744 N/A GLN 404.A NE2 ALA 394.A O no hydrogen 2.855 N/A GLN 404.A NE2 GLN 397.A O no hydrogen 3.192 N/A LYS 405.A N ALA 401.A O no hydrogen 3.312 N/A ALA 406.A N THR 402.A O no hydrogen 3.377 N/A GLU 407.A N THR 403.A O no hydrogen 3.287 N/A LYS 408.A N GLN 404.A O no hydrogen 3.235 N/A GLU 409.A N LYS 405.A O no hydrogen 3.261 N/A VAL 410.A N ALA 406.A O no hydrogen 2.744 N/A THR 411.A N GLU 407.A O no hydrogen 3.267 N/A THR 411.A OG1 GLU 407.A O no hydrogen 2.944 N/A THR 411.A OG1 GLU 407.A OE2 no hydrogen 3.384 N/A ARG 412.A N LYS 408.A O no hydrogen 3.101 N/A MET 413.A N GLU 409.A O no hydrogen 3.282 N/A VAL 414.A N VAL 410.A O no hydrogen 3.100 N/A ILE 415.A N THR 411.A O no hydrogen 3.274 N/A ILE 416.A N ARG 412.A O no hydrogen 3.393 N/A TYR 417.A N MET 413.A O no hydrogen 2.875 N/A VAL 418.A N VAL 414.A O no hydrogen 2.924 N/A ILE 419.A N ILE 415.A O no hydrogen 3.061 N/A ALA 420.A N ILE 416.A O no hydrogen 2.755 N/A PHE 421.A N TYR 417.A O no hydrogen 3.079 N/A LEU 422.A N VAL 418.A O no hydrogen 2.786 N/A ILE 423.A N ILE 419.A O no hydrogen 2.768 N/A CYS 424.A N ALA 420.A O no hydrogen 3.408 N/A TRP 425.A N PHE 421.A O no hydrogen 3.145 N/A VAL 426.A N LEU 422.A O no hydrogen 3.287 N/A ALA 429.A N TRP 425.A O no hydrogen 3.057 N/A SER 430.A N VAL 426.A O no hydrogen 2.600 N/A VAL 431.A N PRO 427.A O no hydrogen 2.906 N/A ALA 432.A N TYR 428.A O no hydrogen 2.941 N/A PHE 433.A N ALA 429.A O no hydrogen 3.345 N/A TYR 434.A N SER 430.A O no hydrogen 3.014 N/A ILE 435.A N VAL 431.A O no hydrogen 2.900 N/A PHE 436.A N ALA 432.A O no hydrogen 3.075 N/A THR 437.A N PHE 433.A O no hydrogen 3.019 N/A THR 437.A OG1 PHE 433.A O no hydrogen 3.024 N/A HIS 438.A N TYR 434.A O no hydrogen 2.751 N/A GLN 439.A N GLN 439.A OE1 no hydrogen 2.764 N/A SER 441.A N HIS 438.A O no hydrogen 2.721 N/A MET 448.A N PRO 445.A O no hydrogen 3.269 N/A THR 449.A N ILE 446.A O no hydrogen 3.207 N/A THR 449.A OG1 PRO 445.A O no hydrogen 2.813 N/A ILE 450.A N ILE 446.A O no hydrogen 3.295 N/A PHE 453.A N THR 449.A O no hydrogen 2.779 N/A ALA 455.A N PRO 451.A O no hydrogen 3.319 N/A LYS 456.A N ALA 452.A O no hydrogen 3.446 N/A LYS 456.A NZ SER 346.A OG no hydrogen 2.916 N/A SER 457.A N PHE 453.A O no hydrogen 2.926 N/A SER 457.A OG TYR 203.A OH no hydrogen 2.778 N/A SER 457.A OG PHE 453.A O no hydrogen 2.563 N/A ALA 458.A N PHE 454.A O no hydrogen 3.147 N/A ALA 458.A N ALA 455.A O no hydrogen 3.297 N/A ALA 459.A N LYS 456.A O no hydrogen 3.368 N/A ILE 460.A N SER 457.A O no hydrogen 2.942 N/A TYR 461.A N SER 457.A O no hydrogen 3.296 N/A TYR 461.A OH PHE 454.A O no hydrogen 3.352 N/A ASN 462.A N ALA 458.A O no hydrogen 3.141 N/A VAL 464.A N ILE 460.A O no hydrogen 3.252 N/A ILE 465.A N TYR 461.A O no hydrogen 2.682 N/A TYR 466.A N ASN 462.A O no hydrogen 3.023 N/A ILE 467.A N PRO 463.A O no hydrogen 2.883 N/A MET 468.A N PRO 463.A O no hydrogen 3.276 N/A MET 469.A N VAL 464.A O no hydrogen 2.916 N/A ASN 470.A N ILE 467.A O no hydrogen 3.140 N/A ARG 474.A N ASN 470.A O no hydrogen 3.046 N/A ASN 475.A N LYS 471.A O no hydrogen 3.301 N/A CYS 476.A N GLN 472.A O no hydrogen 3.332 N/A CYS 476.A SG GLN 472.A O no hydrogen 3.314 N/A MET 477.A N PHE 473.A O no hydrogen 2.859 N/A LEU 478.A N ARG 474.A O no hydrogen 3.086 N/A THR 479.A N ASN 475.A O no hydrogen 3.164 N/A THR 479.A OG1 ASN 475.A O no hydrogen 2.819 N/A THR 480.A OG1 CYS 476.A O no hydrogen 3.314 N/A ILE 481.A N MET 477.A O no hydrogen 3.456 N/A CYS 482.A N LEU 478.A O no hydrogen 2.808 N/A CYS 482.A SG LEU 478.A O no hydrogen 3.131 N/A CYS 483.A N THR 480.A O no hydrogen 3.198 N/A CYS 483.A SG THR 480.A O no hydrogen 3.977 N/A CYS 483.A SG ILE 481.A O no hydrogen 3.870 N/A GLY 484.A N THR 479.A O no hydrogen 3.209 N/A SER 490.A N ASP 486.A O no hydrogen 2.850 N/A GLU 496.A N ILE 501.A O no hydrogen 3.357 N/A ILE 501.A N GLU 496.A O no hydrogen 3.060 N/A PHE 502.A N LEU 515.A O no hydrogen 3.059 N/A LYS 503.A N LYS 494.A O no hydrogen 3.256 N/A LYS 504.A N ILE 513.A O no hydrogen 2.963 N/A LYS 504.A NZ ARG 660.A O no hydrogen 2.568 N/A SER 506.A N VAL 511.A O no hydrogen 3.190 N/A SER 506.A OG ASP 508.A OD1 no hydrogen 2.686 N/A SER 506.A OG VAL 511.A O no hydrogen 2.999 N/A ASP 508.A N LYS 656.A O no hydrogen 2.965 N/A SER 510.A N ASP 508.A OD1 no hydrogen 3.260 N/A SER 510.A OG ASP 508.A OD1 no hydrogen 3.137 N/A SER 510.A OG ASP 508.A OD2 no hydrogen 2.755 N/A THR 512.A N LEU 535.A O no hydrogen 2.913 N/A ILE 513.A N LYS 504.A O no hydrogen 2.929 N/A TYR 514.A N VAL 533.A O no hydrogen 2.895 N/A LEU 515.A N PHE 502.A O no hydrogen 2.916 N/A GLY 516.A N ASP 531.A O no hydrogen 3.333 N/A LYS 517.A NZ GLU 528.A OE2 no hydrogen 2.912 N/A ARG 518.A NH1 LEU 662.A O no hydrogen 3.309 N/A TYR 520.A N ARG 664.A O no hydrogen 2.863 N/A VAL 521.A N GLU 528.A OE1 no hydrogen 3.013 N/A ASP 522.A N VAL 666.A O no hydrogen 2.706 N/A GLU 528.A N VAL 521.A O no hydrogen 3.278 N/A VAL 530.A N LEU 609.A O no hydrogen 3.017 N/A VAL 533.A N TYR 514.A O no hydrogen 3.283 N/A VAL 534.A N TYR 605.A O no hydrogen 2.824 N/A LEU 535.A N THR 512.A O no hydrogen 2.811 N/A VAL 536.A N ASN 603.A O no hydrogen 3.302 N/A ASP 537.A N SER 510.A O no hydrogen 3.059 N/A GLU 539.A N ASP 537.A OD1 no hydrogen 3.136 N/A LEU 540.A N ASP 537.A OD1 no hydrogen 3.468 N/A VAL 541.A N ASP 537.A O no hydrogen 2.803 N/A LYS 544.A N VAL 541.A O no hydrogen 3.009 N/A LYS 544.A NZ ASP 644.A OD1 no hydrogen 2.711 N/A LYS 545.A N SER 643.A O no hydrogen 2.922 N/A LYS 545.A NZ ASP 644.A O no hydrogen 3.093 N/A VAL 546.A N TYR 580.A O no hydrogen 2.806 N/A TYR 547.A N PHE 641.A O no hydrogen 3.084 N/A VAL 548.A N VAL 577.A O no hydrogen 2.978 N/A THR 549.A N LYS 639.A O no hydrogen 2.799 N/A THR 549.A OG1 LYS 639.A O no hydrogen 3.445 N/A LEU 550.A N SER 575.A O no hydrogen 3.092 N/A THR 551.A N GLU 637.A O no hydrogen 2.780 N/A CYS 552.A N TYR 573.A O no hydrogen 2.906 N/A ALA 553.A N ASP 635.A O no hydrogen 3.166 N/A PHE 554.A N ARG 570.A O no hydrogen 3.240 N/A ARG 555.A N GLY 633.A O no hydrogen 2.980 N/A GLY 557.A N SER 631.A O no hydrogen 2.744 N/A GLN 558.A NE2 GLY 629.A O no hydrogen 3.083 N/A ASP 562.A N GLN 558.A O no hydrogen 2.936 N/A VAL 563.A N GLU 559.A O no hydrogen 3.460 N/A GLY 565.A N ASP 562.A O no hydrogen 3.227 N/A THR 567.A OG1 PHE 568.A O no hydrogen 3.413 N/A ARG 569.A NE GLU 559.A OE2 no hydrogen 3.145 N/A ARG 569.A NH1 ASP 571.A OD1 no hydrogen 2.633 N/A TYR 573.A N CYS 552.A O no hydrogen 2.976 N/A SER 575.A N LEU 550.A O no hydrogen 3.083 N/A ARG 576.A NH1 ASP 647.A OD2 no hydrogen 2.566 N/A VAL 577.A N VAL 548.A O no hydrogen 3.002 N/A VAL 579.A N VAL 546.A O no hydrogen 3.090 N/A TYR 580.A N VAL 546.A O no hydrogen 3.265 N/A THR 590.A N GLN 593.A OE1 no hydrogen 3.277 N/A THR 590.A OG1 ASP 531.A OD1 no hydrogen 3.227 N/A THR 590.A OG1 ASP 531.A OD2 no hydrogen 2.873 N/A GLN 593.A N THR 590.A OG1 no hydrogen 3.246 N/A GLN 593.A NE2 GLY 532.A O no hydrogen 3.270 N/A GLU 594.A N THR 590.A O no hydrogen 3.140 N/A SER 595.A N GLN 591.A O no hydrogen 3.385 N/A SER 595.A OG GLN 591.A O no hydrogen 2.902 N/A LEU 596.A N LEU 592.A O no hydrogen 3.019 N/A LEU 597.A N GLN 593.A O no hydrogen 3.074 N/A LYS 599.A N SER 595.A O no hydrogen 2.956 N/A LYS 599.A NZ GLU 496.A OE1 no hydrogen 3.535 N/A LYS 599.A NZ SER 498.A OG no hydrogen 3.400 N/A LEU 600.A N LEU 596.A O no hydrogen 2.788 N/A THR 604.A OG1 GLY 601.A O no hydrogen 3.311 N/A TYR 605.A N VAL 534.A O no hydrogen 2.959 N/A PHE 607.A N GLY 532.A O no hydrogen 3.234 N/A LEU 609.A N VAL 530.A O no hydrogen 3.237 N/A SER 618.A N LYS 665.A O no hydrogen 3.064 N/A MET 620.A N LEU 784.A O no hydrogen 3.025 N/A LEU 621.A N CYS 632.A O no hydrogen 3.051 N/A GLN 622.A N ILE 782.A O no hydrogen 2.687 N/A GLN 622.A NE2 ASN 776.A O no hydrogen 2.974 N/A GLN 622.A NE2 ARG 779.A O no hydrogen 3.553 N/A GLN 626.A N GLN 626.A OE1 no hydrogen 2.705 N/A LYS 630.A NZ PHE 306.A O no hydrogen 2.922 N/A LYS 630.A NZ ASP 627.A OD1 no hydrogen 3.543 N/A CYS 632.A SG ARG 555.A O no hydrogen 3.574 N/A GLY 633.A N ARG 555.A O no hydrogen 2.768 N/A VAL 634.A N VAL 619.A O no hydrogen 2.581 N/A ASP 635.A N ALA 553.A O no hydrogen 3.326 N/A GLU 637.A N THR 551.A O no hydrogen 2.668 N/A VAL 638.A N LEU 661.A O no hydrogen 3.155 N/A LYS 639.A N THR 549.A OG1 no hydrogen 3.206 N/A LYS 639.A NZ THR 551.A OG1 no hydrogen 2.793 N/A ALA 640.A N VAL 659.A O no hydrogen 2.720 N/A PHE 641.A N TYR 547.A O no hydrogen 3.396 N/A SER 643.A N LYS 545.A O no hydrogen 3.097 N/A GLU 649.A N THR 646.A O no hydrogen 3.332 N/A SER 657.A OG ASP 508.A OD2 no hydrogen 3.446 N/A VAL 659.A N ALA 640.A O no hydrogen 2.713 N/A ARG 660.A NE GLU 637.A OE2 no hydrogen 2.931 N/A LEU 661.A N VAL 638.A O no hydrogen 2.872 N/A ILE 663.A N PHE 636.A O no hydrogen 3.312 N/A ARG 664.A N ARG 518.A O no hydrogen 2.949 N/A ARG 664.A NE ASP 519.A OD1 no hydrogen 2.955 N/A ARG 664.A NH1 GLY 786.A O no hydrogen 2.958 N/A ARG 664.A NH2 ASP 519.A OD1 no hydrogen 3.214 N/A ARG 664.A NH2 ASP 519.A OD2 no hydrogen 3.044 N/A LYS 665.A N SER 618.A OG no hydrogen 2.954 N/A LYS 665.A NZ ASP 522.A OD2 no hydrogen 3.024 N/A LYS 665.A NZ LEU 615.A O no hydrogen 3.344 N/A LYS 665.A NZ PRO 616.A O no hydrogen 3.188 N/A VAL 666.A N TYR 520.A O no hydrogen 3.138 N/A GLN 667.A NE2 ASP 522.A OD2 no hydrogen 2.706 N/A GLN 667.A NE2 ILE 800.A O no hydrogen 3.084 N/A ALA 669.A N HIS 846.A O no hydrogen 2.953 N/A ALA 679.A N VAL 696.A O no hydrogen 3.048 N/A ALA 681.A N LEU 694.A O no hydrogen 3.108 N/A TRP 683.A N LEU 692.A O no hydrogen 2.999 N/A PHE 685.A N SER 688.A O no hydrogen 3.116 N/A SER 688.A OG ASP 720.A OD2 no hydrogen 3.085 N/A LYS 690.A NZ ASP 720.A OD1 no hydrogen 2.991 N/A LEU 692.A N TRP 683.A O no hydrogen 2.931 N/A ASN 693.A N THR 716.A O no hydrogen 3.098 N/A LEU 694.A N ALA 681.A O no hydrogen 3.067 N/A SER 695.A N THR 714.A O no hydrogen 3.041 N/A VAL 696.A N ALA 679.A O no hydrogen 2.821 N/A SER 697.A N THR 712.A O no hydrogen 2.743 N/A LEU 698.A N PRO 677.A O no hydrogen 3.020 N/A SER 699.A N TYR 703.A OH no hydrogen 3.313 N/A SER 699.A OG TYR 703.A OH no hydrogen 2.711 N/A LYS 700.A N TYR 703.A OH no hydrogen 3.315 N/A LYS 700.A NZ GLU 707.A OE2 no hydrogen 2.675 N/A TYR 703.A N ARG 843.A O no hydrogen 2.811 N/A TYR 703.A OH SER 699.A OG no hydrogen 2.711 N/A PHE 704.A N GLU 707.A OE1 no hydrogen 2.885 N/A HIS 705.A NE2 SER 797.A OG no hydrogen 3.139 N/A GLU 707.A N PHE 704.A O no hydrogen 3.013 N/A ILE 709.A N LEU 769.A O no hydrogen 3.054 N/A VAL 711.A N LEU 767.A O no hydrogen 2.860 N/A THR 712.A N SER 697.A O no hydrogen 2.796 N/A VAL 713.A N LYS 765.A O no hydrogen 2.954 N/A THR 714.A N SER 695.A O no hydrogen 2.957 N/A VAL 715.A N LEU 763.A O no hydrogen 2.826 N/A THR 716.A N ASN 693.A O no hydrogen 2.888 N/A ASN 717.A N SER 761.A O no hydrogen 3.250 N/A ASN 717.A ND2 LYS 721.A O no hydrogen 2.817 N/A ASN 717.A ND2 VAL 757.A O no hydrogen 3.349 N/A THR 719.A N ASN 717.A OD1 no hydrogen 2.872 N/A THR 719.A OG1 ASN 717.A OD1 no hydrogen 2.769 N/A THR 719.A OG1 LYS 721.A O no hydrogen 3.444 N/A VAL 723.A N VAL 757.A O no hydrogen 3.290 N/A LYS 724.A N THR 823.A O no hydrogen 2.829 N/A LYS 725.A N THR 823.A O no hydrogen 3.490 N/A LYS 725.A NZ GLU 752.A OE1 no hydrogen 2.828 N/A ILE 726.A N THR 753.A O no hydrogen 3.104 N/A LYS 727.A N LYS 821.A O no hydrogen 2.778 N/A VAL 728.A N GLU 751.A O no hydrogen 2.677 N/A SER 729.A N LYS 819.A O no hydrogen 2.818 N/A SER 729.A OG ALA 749.A O no hydrogen 3.564 N/A VAL 730.A N ALA 749.A O no hydrogen 2.625 N/A GLU 731.A N HIS 817.A O no hydrogen 3.106 N/A GLN 732.A N LYS 746.A O no hydrogen 3.092 N/A GLN 732.A NE2 ALA 783.A O no hydrogen 2.912 N/A ILE 733.A N SER 815.A O no hydrogen 2.660 N/A ALA 734.A N TYR 744.A O no hydrogen 2.885 N/A ASN 735.A N LEU 813.A O no hydrogen 2.682 N/A VAL 736.A N ASP 742.A O no hydrogen 2.810 N/A VAL 737.A N GLY 811.A O no hydrogen 2.917 N/A SER 740.A OG ASP 742.A OD2 no hydrogen 3.246 N/A SER 741.A OG ASN 735.A OD1 no hydrogen 3.249 N/A ASP 742.A N VAL 736.A O no hydrogen 2.901 N/A TYR 744.A N ALA 734.A O no hydrogen 3.177 N/A LYS 746.A N GLN 732.A O no hydrogen 3.404 N/A VAL 748.A N VAL 730.A O no hydrogen 2.715 N/A ALA 749.A N VAL 730.A O no hydrogen 3.268 N/A SER 750.A OG VAL 728.A O no hydrogen 2.907 N/A GLU 751.A N VAL 728.A O no hydrogen 2.809 N/A THR 753.A N ILE 726.A O no hydrogen 2.827 N/A VAL 757.A N VAL 723.A O no hydrogen 3.385 N/A SER 761.A N ASN 717.A O no hydrogen 3.259 N/A THR 762.A OG1 VAL 715.A O no hydrogen 2.959 N/A LEU 763.A N VAL 715.A O no hydrogen 2.909 N/A LYS 765.A N VAL 713.A O no hydrogen 2.894 N/A LEU 767.A N VAL 711.A O no hydrogen 3.095 N/A LEU 769.A N ILE 709.A O no hydrogen 3.003 N/A ASN 776.A ND2 VAL 748.A O no hydrogen 2.809 N/A ASN 776.A ND2 LEU 772.A O no hydrogen 2.697 N/A ARG 779.A NH1 PRO 747.A O no hydrogen 2.923 N/A ARG 779.A NH1 ASN 776.A OD1 no hydrogen 2.897 N/A ARG 779.A NH2 PRO 747.A O no hydrogen 3.389 N/A ALA 783.A N GLN 732.A OE1 no hydrogen 3.223 N/A LEU 784.A N MET 620.A O no hydrogen 2.787 N/A ASP 785.A N ASN 794.A O no hydrogen 3.155 N/A GLY 786.A N SER 618.A O no hydrogen 3.109 N/A THR 793.A OG1 ASP 785.A O no hydrogen 2.855 N/A THR 793.A OG1 ASN 794.A O no hydrogen 3.404 N/A THR 793.A OG1 ASN 794.A OD1 no hydrogen 3.513 N/A ASN 794.A N THR 793.A OG1 no hydrogen 2.599 N/A ALA 796.A N ALA 783.A O no hydrogen 2.993 N/A SER 797.A N ASP 785.A OD1 no hydrogen 2.904 N/A SER 797.A OG HIS 705.A NE2 no hydrogen 3.139 N/A SER 797.A OG ASP 785.A OD1 no hydrogen 3.351 N/A SER 797.A OG ASP 785.A OD2 no hydrogen 3.043 N/A SER 798.A N LEU 844.A O no hydrogen 2.996 N/A SER 798.A OG LEU 844.A O no hydrogen 3.333 N/A THR 799.A N VAL 814.A O no hydrogen 3.182 N/A THR 799.A OG1 VAL 814.A O no hydrogen 3.153 N/A ILE 800.A N GLN 667.A OE1 no hydrogen 2.925 N/A LYS 802.A NZ SER 525.A O no hydrogen 3.208 N/A LYS 802.A NZ ASP 613.A OD2 no hydrogen 3.031 N/A ARG 807.A NH2 GLU 399.A OE2 no hydrogen 3.106 N/A GLY 811.A N VAL 737.A O no hydrogen 2.841 N/A LEU 813.A N ASN 735.A O no hydrogen 2.776 N/A SER 815.A N ILE 733.A O no hydrogen 2.743 N/A TYR 816.A OH ALA 796.A O no hydrogen 2.785 N/A HIS 817.A N GLU 731.A O no hydrogen 3.303 N/A HIS 817.A NE2 GLU 731.A OE1 no hydrogen 3.035 N/A ILE 818.A N VAL 840.A O no hydrogen 2.797 N/A LYS 819.A N SER 729.A O no hydrogen 2.744 N/A LYS 819.A NZ GLU 731.A OE2 no hydrogen 2.861 N/A VAL 820.A N THR 838.A O no hydrogen 3.054 N/A LYS 821.A N LYS 727.A O no hydrogen 2.545 N/A LYS 821.A NZ GLU 835.A OE2 no hydrogen 3.229 N/A LEU 822.A N VAL 836.A O no hydrogen 2.652 N/A THR 823.A N LYS 725.A O no hydrogen 3.071 N/A VAL 824.A N SER 834.A O no hydrogen 3.282 N/A SER 825.A N VAL 722.A O no hydrogen 3.352 N/A SER 825.A OG VAL 722.A O no hydrogen 3.014 N/A GLY 826.A N THR 832.A O no hydrogen 2.686 N/A SER 834.A N VAL 824.A O no hydrogen 2.844 N/A VAL 836.A N LEU 822.A O no hydrogen 2.955 N/A THR 838.A N VAL 820.A O no hydrogen 3.350 N/A VAL 840.A N ILE 818.A O no hydrogen 3.153 N/A PHE 842.A N TYR 816.A O no hydrogen 3.124 N/A ARG 843.A N GLU 701.A O no hydrogen 3.255 N/A LEU 844.A N SER 798.A OG no hydrogen 2.863 N/A MET 845.A N TYR 703.A O no hydrogen 3.136 N/A