Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rku_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ALA 11.A O no hydrogen 3.317 N/A ARG 2.A NH2 ALA 11.A O no hydrogen 3.489 N/A SER 7.A N PRO 4.A O no hydrogen 3.339 N/A GLN 8.A N ASP 33.A OD2 no hydrogen 2.824 N/A ALA 11.A N SER 7.A O no hydrogen 2.965 N/A GLN 12.A N GLN 8.A O no hydrogen 3.258 N/A ASP 13.A N LEU 10.A O no hydrogen 3.258 N/A THR 15.A N ASP 13.A OD1 no hydrogen 2.875 N/A THR 15.A OG1 ASP 13.A OD1 no hydrogen 2.410 N/A THR 16.A N LYS 694.A O no hydrogen 2.829 N/A THR 16.A OG1 LYS 694.A O no hydrogen 3.508 N/A ARG 17.A N THR 15.A OG1 no hydrogen 3.250 N/A ARG 17.A NE ASP 13.A OD2 no hydrogen 3.033 N/A ARG 18.A NE ILE 3.A O no hydrogen 3.306 N/A ARG 18.A NH1 ASP 693.A OD1 no hydrogen 3.107 N/A ARG 18.A NH2 ILE 3.A O no hydrogen 2.719 N/A PHE 21.A N ARG 17.A O no hydrogen 3.050 N/A GLY 22.A N ARG 18.A O no hydrogen 2.875 N/A ILE 23.A N TRP 20.A O no hydrogen 3.038 N/A ALA 24.A N TRP 20.A O no hydrogen 3.211 N/A THR 25.A OG1 PHE 21.A O no hydrogen 2.591 N/A ASP 28.A N THR 25.A O no hydrogen 3.319 N/A PHE 29.A N HIS 27.A O no hydrogen 3.029 N/A SER 31.A N ASP 28.A O no hydrogen 3.249 N/A SER 31.A OG ASP 28.A O no hydrogen 2.757 N/A SER 31.A OG ASP 28.A OD2 no hydrogen 2.810 N/A HIS 32.A N PHE 29.A O no hydrogen 3.033 N/A HIS 32.A NE2 THR 25.A O no hydrogen 2.967 N/A ASP 33.A N PHE 6.A O no hydrogen 2.693 N/A ARG 39.A N THR 36.A OG1 no hydrogen 3.159 N/A LEU 40.A N THR 36.A O no hydrogen 2.824 N/A TYR 41.A N GLU 37.A O no hydrogen 3.242 N/A GLN 42.A N GLY 38.A O no hydrogen 3.443 N/A ASN 43.A N ARG 39.A O no hydrogen 3.261 N/A ILE 44.A N LEU 40.A O no hydrogen 3.390 N/A PHE 45.A N TYR 41.A O no hydrogen 3.049 N/A ALA 46.A N GLN 42.A O no hydrogen 3.369 N/A SER 47.A N ASN 43.A O no hydrogen 2.810 N/A SER 47.A OG ASN 43.A O no hydrogen 2.541 N/A HIS 48.A N ILE 44.A O no hydrogen 2.714 N/A GLY 50.A N ALA 46.A O no hydrogen 3.270 N/A GLN 51.A N SER 47.A O no hydrogen 3.160 N/A GLN 51.A NE2 GLN 51.A O no hydrogen 2.947 N/A LEU 52.A N HIS 48.A O no hydrogen 3.239 N/A ALA 53.A N PHE 49.A O no hydrogen 3.080 N/A ILE 54.A N GLY 50.A O no hydrogen 3.208 N/A ILE 55.A N GLN 51.A O no hydrogen 3.095 N/A PHE 56.A N LEU 52.A O no hydrogen 3.075 N/A LEU 57.A N ALA 53.A O no hydrogen 3.045 N/A TRP 58.A N ILE 54.A O no hydrogen 2.744 N/A THR 59.A N ILE 55.A O no hydrogen 2.877 N/A THR 59.A OG1 ILE 55.A O no hydrogen 2.567 N/A SER 60.A N PHE 56.A O no hydrogen 2.832 N/A SER 60.A OG ALA 137.A O no hydrogen 2.618 N/A GLY 61.A N LEU 57.A O no hydrogen 3.042 N/A ASN 62.A N TRP 58.A O no hydrogen 3.410 N/A LEU 63.A N THR 59.A O no hydrogen 3.222 N/A PHE 64.A N SER 60.A O no hydrogen 3.028 N/A PHE 64.A N GLY 61.A O no hydrogen 3.110 N/A HIS 65.A N GLY 61.A O no hydrogen 2.994 N/A HIS 65.A ND1 GLN 69.A OE1 no hydrogen 2.949 N/A VAL 66.A N ASN 62.A O no hydrogen 3.425 N/A TRP 68.A N PHE 64.A O no hydrogen 2.877 N/A TRP 68.A N HIS 65.A O no hydrogen 3.143 N/A GLN 69.A N HIS 65.A O no hydrogen 2.554 N/A GLY 70.A N HIS 65.A O no hydrogen 3.106 N/A ASN 71.A ND2 GLY 105.A O no hydrogen 2.787 N/A PHE 72.A N ASN 71.A OD1 no hydrogen 2.650 N/A GLU 73.A N ASN 71.A O no hydrogen 2.325 N/A VAL 76.A N PHE 72.A O no hydrogen 2.670 N/A GLN 77.A N GLU 73.A O no hydrogen 3.351 N/A ASP 78.A N TRP 75.A O no hydrogen 3.250 N/A HIS 81.A N ASP 78.A O no hydrogen 3.068 N/A ILE 85.A N TYR 119.A OH no hydrogen 2.915 N/A ALA 86.A N ASN 112.A O no hydrogen 2.807 N/A ALA 88.A N GLN 69.A OE1 no hydrogen 2.611 N/A ILE 89.A N PRO 110.A O no hydrogen 2.733 N/A HIS 93.A N ASP 91.A OD1 no hydrogen 3.246 N/A HIS 93.A ND1 ASP 91.A OD1 no hydrogen 2.231 N/A PHE 94.A N ASP 91.A O no hydrogen 3.125 N/A GLN 96.A NE2 GLN 96.A O no hydrogen 3.158 N/A ALA 98.A N GLY 95.A O no hydrogen 2.940 N/A VAL 99.A N GLY 95.A O no hydrogen 3.176 N/A GLU 100.A N GLN 96.A O no hydrogen 2.995 N/A ALA 101.A N PRO 97.A O no hydrogen 3.078 N/A PHE 102.A N ALA 98.A O no hydrogen 3.132 N/A THR 103.A N GLU 100.A O no hydrogen 3.186 N/A THR 103.A OG1 VAL 99.A O no hydrogen 2.507 N/A THR 103.A OG1 GLU 100.A O no hydrogen 3.437 N/A ARG 104.A NH2 VAL 111.A O no hydrogen 2.881 N/A ALA 107.A N ARG 104.A O no hydrogen 3.220 N/A VAL 111.A N PHE 102.A O no hydrogen 2.911 N/A ASN 112.A N HIS 87.A O no hydrogen 3.030 N/A ASN 113.A ND2 TYR 115.A OH no hydrogen 2.745 N/A ALA 114.A N PRO 84.A O no hydrogen 3.034 N/A TYR 119.A OH ILE 85.A O no hydrogen 2.489 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.535 N/A GLN 120.A NE2 PHE 358.A O no hydrogen 3.540 N/A GLN 120.A NE2 ASP 362.A OD2 no hydrogen 3.367 N/A TRP 121.A N GLY 117.A O no hydrogen 3.274 N/A TRP 122.A N VAL 118.A O no hydrogen 2.916 N/A TYR 123.A N TYR 119.A O no hydrogen 2.969 N/A THR 124.A N GLN 120.A O no hydrogen 3.022 N/A THR 124.A OG1 GLN 120.A O no hydrogen 2.375 N/A ILE 125.A N TRP 121.A O no hydrogen 3.241 N/A LEU 127.A N TRP 122.A O no hydrogen 2.915 N/A ARG 128.A NH1 TYR 123.A O no hydrogen 2.476 N/A ARG 128.A NH2 GLY 199.A O no hydrogen 2.811 N/A THR 129.A N ASP 132.A OD2 no hydrogen 3.360 N/A THR 129.A OG1 ASP 132.A OD2 no hydrogen 2.790 N/A ASN 130.A N GLU 73.A OE2 no hydrogen 3.472 N/A ASP 132.A N THR 129.A OG1 no hydrogen 3.249 N/A LEU 133.A N THR 129.A O no hydrogen 3.451 N/A TYR 134.A N ASN 130.A O no hydrogen 3.000 N/A THR 135.A N GLU 131.A O no hydrogen 3.134 N/A THR 135.A OG1 ASP 132.A O no hydrogen 2.622 N/A GLY 136.A N ASP 132.A O no hydrogen 3.221 N/A ALA 137.A N LEU 133.A O no hydrogen 3.029 N/A ILE 138.A N TYR 134.A O no hydrogen 2.857 N/A PHE 139.A N THR 135.A O no hydrogen 3.024 N/A LEU 140.A N GLY 136.A O no hydrogen 2.847 N/A LEU 141.A N ALA 137.A O no hydrogen 2.900 N/A PHE 142.A N ILE 138.A O no hydrogen 2.931 N/A LEU 143.A N PHE 139.A O no hydrogen 2.850 N/A SER 144.A N LEU 140.A O no hydrogen 2.696 N/A SER 144.A OG ALA 53.A O no hydrogen 2.714 N/A PHE 145.A N LEU 141.A O no hydrogen 3.193 N/A PHE 145.A N PHE 142.A O no hydrogen 3.202 N/A ILE 146.A N PHE 142.A O no hydrogen 3.195 N/A SER 147.A N LEU 143.A O no hydrogen 3.349 N/A SER 147.A OG LEU 143.A O no hydrogen 2.888 N/A LEU 149.A N PHE 145.A O no hydrogen 2.853 N/A ALA 150.A N ILE 146.A O no hydrogen 3.009 N/A GLY 151.A N SER 147.A O no hydrogen 2.970 N/A TRP 152.A N LEU 148.A O no hydrogen 2.847 N/A LEU 153.A N LEU 149.A O no hydrogen 2.851 N/A HIS 154.A N ALA 150.A O no hydrogen 3.108 N/A HIS 154.A ND1 TRP 159.A O no hydrogen 3.085 N/A GLN 156.A N LEU 153.A O no hydrogen 3.256 N/A GLN 156.A NE2 TRP 152.A O no hydrogen 3.373 N/A TRP 159.A N GLN 156.A O no hydrogen 3.163 N/A TRP 165.A N SER 162.A O no hydrogen 2.953 N/A PHE 166.A N SER 162.A O no hydrogen 3.385 N/A LYS 167.A N VAL 163.A O no hydrogen 2.968 N/A LYS 167.A NZ GLU 37.A OE2 no hydrogen 3.117 N/A LYS 167.A NZ ASN 326.A OD1 no hydrogen 2.489 N/A ASN 168.A N TRP 165.A O no hydrogen 3.409 N/A SER 171.A N ASN 168.A OD1 no hydrogen 3.269 N/A ARG 172.A N ALA 169.A O no hydrogen 3.263 N/A LEU 173.A N ALA 169.A O no hydrogen 3.166 N/A ASN 174.A ND2 TYR 289.A O no hydrogen 2.506 N/A HIS 175.A N SER 171.A O no hydrogen 3.275 N/A HIS 175.A ND1 SER 171.A O no hydrogen 2.306 N/A HIS 176.A N ARG 172.A O no hydrogen 3.070 N/A LEU 177.A N LEU 173.A O no hydrogen 2.979 N/A SER 178.A N ASN 174.A O no hydrogen 3.324 N/A GLY 179.A N HIS 175.A O no hydrogen 2.541 N/A LEU 180.A N HIS 175.A O no hydrogen 3.190 N/A PHE 181.A N HIS 176.A O no hydrogen 2.774 N/A GLY 182.A N LEU 177.A O no hydrogen 2.991 N/A VAL 183.A N GLY 179.A O no hydrogen 3.161 N/A SER 184.A OG LEU 180.A O no hydrogen 2.861 N/A SER 185.A N PHE 181.A O no hydrogen 3.206 N/A SER 185.A OG HIS 275.A O no hydrogen 2.699 N/A LEU 186.A N GLY 182.A O no hydrogen 2.895 N/A ALA 187.A N VAL 183.A O no hydrogen 2.617 N/A TRP 188.A N SER 184.A O no hydrogen 3.088 N/A ALA 189.A N SER 185.A O no hydrogen 3.114 N/A GLY 190.A N LEU 186.A O no hydrogen 3.242 N/A GLY 190.A N ALA 187.A O no hydrogen 3.155 N/A HIS 191.A N ALA 187.A O no hydrogen 3.189 N/A HIS 191.A NE2 ILE 125.A O no hydrogen 2.819 N/A LEU 192.A N TRP 188.A O no hydrogen 2.982 N/A VAL 193.A N ALA 189.A O no hydrogen 3.217 N/A HIS 194.A N GLY 190.A O no hydrogen 2.949 N/A VAL 195.A N HIS 191.A O no hydrogen 2.846 N/A ALA 196.A N HIS 191.A O no hydrogen 3.001 N/A ILE 197.A N LEU 192.A O no hydrogen 2.628 N/A GLY 199.A N VAL 195.A O no hydrogen 2.610 N/A SER 200.A N ALA 196.A O no hydrogen 2.763 N/A SER 200.A OG ALA 196.A O no hydrogen 3.384 N/A SER 200.A OG ILE 197.A O no hydrogen 2.182 N/A ARG 201.A N ILE 197.A O no hydrogen 2.911 N/A ARG 201.A NH1 THR 250.A O no hydrogen 3.320 N/A ARG 201.A NH1 ALA 251.A O no hydrogen 3.207 N/A ARG 201.A NH2 ALA 251.A O no hydrogen 2.399 N/A GLY 202.A N PRO 198.A O no hydrogen 2.922 N/A GLU 203.A N PRO 198.A O no hydrogen 2.893 N/A ARG 206.A N ASN 209.A OD1 no hydrogen 2.597 N/A ARG 206.A NH2 GLY 126.A O no hydrogen 3.505 N/A ASN 209.A N ARG 206.A O no hydrogen 2.988 N/A ASN 209.A ND2 TYR 204.A O no hydrogen 2.907 N/A ASP 212.A N ASN 209.A O no hydrogen 3.235 N/A THR 225.A N GLY 221.A O no hydrogen 2.657 N/A THR 225.A OG1 GLY 221.A O no hydrogen 3.489 N/A THR 225.A OG1 PRO 222.A O no hydrogen 2.806 N/A GLY 226.A N PRO 222.A O no hydrogen 3.120 N/A TRP 228.A NE1 LEU 223.A O no hydrogen 2.387 N/A TYR 231.A N TRP 228.A O no hydrogen 3.073 N/A ALA 232.A N ASN 229.A O no hydrogen 2.840 N/A SER 237.A N GLY 247.A O no hydrogen 2.720 N/A SER 237.A OG ASN 239.A O no hydrogen 3.392 N/A SER 237.A OG GLY 247.A O no hydrogen 2.563 N/A HIS 240.A ND1 GLN 246.A O no hydrogen 2.596 N/A PHE 242.A N GLN 262.A OE1 no hydrogen 2.997 N/A GLY 243.A N SER 200.A O no hydrogen 2.663 N/A THR 244.A N LEU 241.A O no hydrogen 3.028 N/A THR 250.A N ASN 234.A O no hydrogen 2.435 N/A ALA 251.A N ASN 234.A O no hydrogen 2.840 N/A ILE 252.A N TYR 231.A O no hydrogen 3.286 N/A LEU 253.A N TYR 231.A O no hydrogen 3.082 N/A THR 254.A N THR 269.A O no hydrogen 3.240 N/A THR 254.A OG1 THR 269.A OG1 no hydrogen 2.872 N/A THR 254.A OG1 ASP 270.A OD1 no hydrogen 2.680 N/A GLY 257.A N ASP 270.A OD2 no hydrogen 2.790 N/A HIS 260.A N SER 265.A O no hydrogen 2.630 N/A THR 263.A N HIS 260.A ND1 no hydrogen 3.065 N/A THR 263.A OG1 HIS 260.A ND1 no hydrogen 3.033 N/A THR 263.A OG1 HIS 260.A O no hydrogen 3.352 N/A THR 263.A OG1 SER 265.A OG no hydrogen 2.632 N/A GLN 264.A N HIS 260.A O no hydrogen 2.670 N/A SER 265.A N THR 263.A OG1 no hydrogen 3.229 N/A SER 265.A OG THR 263.A OG1 no hydrogen 2.632 N/A LEU 266.A N PRO 354.A O no hydrogen 3.078 N/A THR 269.A OG1 THR 254.A OG1 no hydrogen 2.872 N/A ASP 270.A N TRP 267.A O no hydrogen 3.168 N/A MET 271.A N TRP 267.A O no hydrogen 3.319 N/A ALA 272.A N LEU 268.A O no hydrogen 2.869 N/A HIS 273.A N THR 269.A O no hydrogen 3.223 N/A HIS 274.A N ASP 270.A O no hydrogen 2.791 N/A HIS 275.A N MET 271.A O no hydrogen 2.997 N/A HIS 275.A ND1 MET 271.A O no hydrogen 2.430 N/A ALA 277.A N HIS 273.A O no hydrogen 2.917 N/A ILE 278.A N HIS 274.A O no hydrogen 2.949 N/A ALA 279.A N HIS 275.A O no hydrogen 2.949 N/A PHE 282.A N ILE 278.A O no hydrogen 3.205 N/A LEU 283.A N ALA 279.A O no hydrogen 2.654 N/A ILE 284.A N PHE 280.A O no hydrogen 2.752 N/A GLY 285.A N LEU 281.A O no hydrogen 2.764 N/A GLY 286.A N PHE 282.A O no hydrogen 2.950 N/A LEU 287.A N ILE 284.A O no hydrogen 3.112 N/A TYR 289.A N ASN 174.A OD1 no hydrogen 3.117 N/A ARG 290.A N HIS 297.A O no hydrogen 2.782 N/A ASN 292.A N THR 291.A OG1 no hydrogen 2.418 N/A HIS 297.A N MET 288.A O no hydrogen 2.802 N/A ILE 299.A N GLU 170.A OE1 no hydrogen 3.102 N/A LYS 300.A NZ ASP 322.A OD2 no hydrogen 3.400 N/A ILE 302.A N SER 298.A O no hydrogen 3.393 N/A LEU 303.A N ILE 299.A O no hydrogen 3.119 N/A GLU 304.A N LYS 300.A O no hydrogen 2.847 N/A ALA 305.A N TYR 301.A O no hydrogen 2.870 N/A HIS 306.A ND1 ILE 302.A O no hydrogen 2.456 N/A ILE 307.A N ALA 305.A O no hydrogen 2.920 N/A ARG 315.A N ASP 403.A O no hydrogen 2.753 N/A LYS 318.A N ARG 315.A O no hydrogen 3.464 N/A GLY 319.A N GLU 304.A OE2 no hydrogen 2.940 N/A LEU 320.A N HIS 317.A O no hydrogen 3.338 N/A TYR 321.A OH GLU 170.A OE2 no hydrogen 2.417 N/A THR 323.A N GLY 319.A O no hydrogen 3.302 N/A THR 323.A OG1 GLY 319.A O no hydrogen 2.587 N/A THR 323.A OG1 ASN 401.A OD1 no hydrogen 2.729 N/A ILE 324.A N LEU 320.A O no hydrogen 3.222 N/A ASN 325.A N TYR 321.A O no hydrogen 3.099 N/A ASN 325.A ND2 LYS 167.A O no hydrogen 2.564 N/A ASN 326.A N ASP 322.A O no hydrogen 3.104 N/A SER 327.A N ILE 324.A O no hydrogen 3.202 N/A SER 327.A OG ASP 395.A OD2 no hydrogen 2.877 N/A HIS 329.A ND1 HIS 387.A ND1 no hydrogen 3.151 N/A HIS 329.A NE2 GLU 30.A OE2 no hydrogen 2.712 N/A GLN 331.A N SER 327.A O no hydrogen 3.454 N/A GLN 331.A NE2 ILE 324.A O no hydrogen 3.192 N/A GLN 331.A NE2 ASN 325.A OD1 no hydrogen 3.445 N/A LEU 332.A N ILE 328.A O no hydrogen 3.186 N/A GLY 333.A N HIS 329.A O no hydrogen 2.936 N/A LEU 334.A N PHE 330.A O no hydrogen 2.822 N/A ALA 335.A N GLN 331.A O no hydrogen 2.798 N/A LEU 336.A N LEU 332.A O no hydrogen 2.756 N/A ALA 337.A N GLY 333.A O no hydrogen 3.201 N/A SER 338.A N LEU 334.A O no hydrogen 3.348 N/A SER 338.A OG LEU 334.A O no hydrogen 2.839 N/A LEU 339.A N ALA 335.A O no hydrogen 2.810 N/A GLY 340.A N LEU 336.A O no hydrogen 2.629 N/A VAL 341.A N ALA 337.A O no hydrogen 3.164 N/A ILE 342.A N SER 338.A O no hydrogen 3.216 N/A THR 343.A N LEU 339.A O no hydrogen 2.894 N/A THR 343.A OG1 LEU 339.A O no hydrogen 2.252 N/A LEU 345.A N VAL 341.A O no hydrogen 3.144 N/A VAL 346.A N ILE 342.A O no hydrogen 2.875 N/A ALA 347.A N THR 343.A O no hydrogen 3.273 N/A GLN 348.A N SER 344.A O no hydrogen 2.761 N/A HIS 349.A N LEU 345.A O no hydrogen 3.187 N/A SER 352.A OG GLN 348.A O no hydrogen 2.266 N/A LEU 353.A N HIS 349.A O no hydrogen 2.940 N/A ALA 357.A N THR 124.A OG1 no hydrogen 2.800 N/A GLN 361.A N GLN 361.A OE1 no hydrogen 2.643 N/A GLN 361.A NE2 THR 263.A O no hydrogen 3.694 N/A ASP 362.A N ILE 359.A O no hydrogen 3.315 N/A THR 365.A OG1 ASP 362.A OD2 no hydrogen 2.823 N/A GLN 366.A N ASP 362.A O no hydrogen 3.055 N/A ALA 367.A N PHE 363.A O no hydrogen 3.161 N/A ALA 368.A N THR 364.A O no hydrogen 3.086 N/A LEU 369.A N THR 365.A O no hydrogen 2.959 N/A TYR 370.A N GLN 366.A O no hydrogen 3.305 N/A THR 371.A N ALA 367.A O no hydrogen 3.046 N/A THR 371.A OG1 ALA 367.A O no hydrogen 2.783 N/A HIS 372.A N ALA 368.A O no hydrogen 2.676 N/A HIS 373.A N LEU 369.A O no hydrogen 3.001 N/A GLN 374.A N TYR 370.A O no hydrogen 3.039 N/A GLN 374.A NE2 SER 344.A OG no hydrogen 3.120 N/A TYR 375.A N THR 371.A O no hydrogen 3.351 N/A ILE 376.A N HIS 372.A O no hydrogen 3.065 N/A ALA 377.A N HIS 373.A O no hydrogen 2.612 N/A GLY 378.A N GLN 374.A O no hydrogen 2.809 N/A PHE 379.A N TYR 375.A O no hydrogen 3.046 N/A ILE 380.A N ILE 376.A O no hydrogen 3.143 N/A MET 381.A N ALA 377.A O no hydrogen 3.158 N/A THR 382.A N GLY 378.A O no hydrogen 3.321 N/A THR 382.A OG1 PHE 379.A O no hydrogen 2.425 N/A GLY 383.A N PHE 379.A O no hydrogen 3.151 N/A GLY 383.A N ILE 380.A O no hydrogen 3.028 N/A ALA 384.A N ILE 380.A O no hydrogen 3.026 N/A PHE 385.A N MET 381.A O no hydrogen 3.155 N/A ALA 386.A N GLY 383.A O no hydrogen 2.964 N/A HIS 387.A N GLY 383.A O no hydrogen 2.949 N/A HIS 387.A ND1 HIS 329.A ND1 no hydrogen 3.151 N/A PHE 391.A N HIS 387.A O no hydrogen 3.024 N/A PHE 392.A N GLY 388.A O no hydrogen 3.241 N/A ILE 393.A N PRO 389.A O no hydrogen 2.923 N/A ARG 394.A N ILE 390.A O no hydrogen 2.914 N/A ARG 394.A NH1 ASP 28.A OD1 no hydrogen 3.162 N/A ARG 394.A NH2 ASP 28.A OD2 no hydrogen 3.482 N/A ASP 395.A N PHE 391.A O no hydrogen 3.004 N/A GLN 400.A N ASN 397.A OD1 no hydrogen 3.472 N/A ASN 401.A N ASN 397.A O no hydrogen 3.178 N/A ASN 401.A ND2 ASN 397.A O no hydrogen 2.619 N/A ALA 402.A N GLU 399.A O no hydrogen 3.216 N/A ASN 404.A ND2 LYS 318.A O no hydrogen 3.569 N/A ASN 404.A ND2 ASN 401.A OD1 no hydrogen 3.235 N/A VAL 405.A N GLY 316.A O no hydrogen 2.967 N/A ALA 407.A N ASN 404.A OD1 no hydrogen 2.979 N/A MET 409.A N LEU 406.A O no hydrogen 3.300 N/A LYS 413.A NZ ASP 538.A OD1 no hydrogen 2.855 N/A GLU 414.A N GLU 414.A OE2 no hydrogen 2.651 N/A ALA 415.A N HIS 412.A O no hydrogen 3.127 N/A ILE 417.A N LYS 413.A O no hydrogen 3.188 N/A SER 418.A N GLU 414.A O no hydrogen 3.382 N/A SER 418.A OG GLU 414.A O no hydrogen 2.854 N/A SER 418.A OG ALA 415.A O no hydrogen 3.054 N/A SER 418.A OG HIS 419.A ND1 no hydrogen 2.974 N/A HIS 419.A N ALA 415.A O no hydrogen 3.311 N/A HIS 419.A ND1 ALA 415.A O no hydrogen 2.406 N/A HIS 419.A ND1 SER 418.A OG no hydrogen 2.974 N/A LEU 420.A N ILE 416.A O no hydrogen 3.175 N/A SER 421.A N ILE 417.A O no hydrogen 2.913 N/A TRP 422.A N SER 418.A O no hydrogen 2.841 N/A ALA 423.A N HIS 419.A O no hydrogen 2.782 N/A SER 424.A N LEU 420.A O no hydrogen 2.913 N/A SER 424.A OG LEU 420.A O no hydrogen 2.760 N/A LEU 425.A N SER 421.A O no hydrogen 2.691 N/A PHE 426.A N TRP 422.A O no hydrogen 2.617 N/A LEU 427.A N ALA 423.A O no hydrogen 3.106 N/A GLY 428.A N SER 424.A O no hydrogen 3.000 N/A PHE 429.A N LEU 425.A O no hydrogen 3.036 N/A HIS 430.A ND1 PHE 426.A O no hydrogen 2.326 N/A THR 431.A N LEU 427.A O no hydrogen 2.982 N/A THR 431.A OG1 LEU 427.A O no hydrogen 2.711 N/A LEU 432.A N GLY 428.A O no hydrogen 3.256 N/A LEU 434.A N HIS 430.A O no hydrogen 2.555 N/A TYR 435.A N THR 431.A O no hydrogen 3.169 N/A VAL 436.A N LEU 432.A O no hydrogen 2.988 N/A HIS 437.A N GLY 433.A O no hydrogen 3.083 N/A ASN 438.A N LEU 434.A O no hydrogen 3.220 N/A ASN 438.A ND2 ILE 451.A O no hydrogen 3.698 N/A ASN 438.A ND2 THR 612.A O no hydrogen 2.914 N/A ASP 439.A N TYR 435.A O no hydrogen 3.086 N/A VAL 440.A N VAL 436.A O no hydrogen 3.066 N/A VAL 440.A N HIS 437.A O no hydrogen 3.117 N/A LEU 442.A N ASN 438.A O no hydrogen 3.484 N/A ALA 443.A N ASP 439.A O no hydrogen 2.992 N/A PHE 444.A N VAL 440.A O no hydrogen 2.801 N/A THR 446.A N MET 441.A O no hydrogen 2.504 N/A THR 446.A OG1 MET 441.A O no hydrogen 3.356 N/A GLU 448.A N GLU 448.A OE1 no hydrogen 2.676 N/A LYS 449.A N THR 446.A O no hydrogen 3.183 N/A GLN 450.A NE2 PRO 447.A O no hydrogen 2.808 N/A ILE 451.A N ASN 438.A OD1 no hydrogen 3.237 N/A ILE 456.A N GLU 454.A O no hydrogen 2.627 N/A GLN 459.A N PRO 455.A O no hydrogen 2.990 N/A GLN 459.A NE2 GLU 454.A OE2 no hydrogen 2.704 N/A GLN 459.A NE2 ILE 510.A O no hydrogen 2.989 N/A TRP 460.A N ILE 456.A O no hydrogen 3.013 N/A ILE 461.A N PHE 457.A O no hydrogen 3.276 N/A ILE 461.A N ALA 458.A O no hydrogen 2.930 N/A GLN 462.A N ALA 458.A O no hydrogen 3.037 N/A SER 463.A N GLN 459.A O no hydrogen 3.155 N/A SER 463.A OG GLN 459.A O no hydrogen 3.250 N/A SER 463.A OG TRP 460.A O no hydrogen 2.935 N/A ALA 464.A N TRP 460.A O no hydrogen 3.242 N/A HIS 465.A N GLN 462.A O no hydrogen 2.938 N/A HIS 465.A ND1 ILE 461.A O no hydrogen 2.497 N/A GLY 466.A N SER 463.A O no hydrogen 3.369 N/A LYS 467.A N GLN 462.A O no hydrogen 3.374 N/A LYS 467.A NZ PHE 507.A O no hydrogen 2.996 N/A LYS 467.A NZ THR 509.A OG1 no hydrogen 3.255 N/A THR 468.A N ASN 500.A OD1 no hydrogen 3.477 N/A SER 477.A N VAL 474.A O no hydrogen 2.942 N/A SER 477.A OG LYS 467.A O no hydrogen 3.559 N/A SER 477.A OG SER 477.A O no hydrogen 2.441 N/A SER 478.A OG VAL 474.A O no hydrogen 3.204 N/A THR 479.A OG1 ASP 473.A OD1 no hydrogen 2.941 N/A ALA 483.A N SER 481.A OG no hydrogen 3.232 N/A ALA 486.A N ALA 483.A O no hydrogen 3.261 N/A GLY 487.A N LEU 484.A O no hydrogen 2.633 N/A ARG 488.A N ASN 485.A O no hydrogen 3.265 N/A SER 489.A OG ARG 488.A O no hydrogen 2.415 N/A LEU 492.A N SER 489.A O no hydrogen 3.271 N/A TRP 495.A N TRP 491.A O no hydrogen 2.777 N/A LEU 496.A N LEU 492.A O no hydrogen 2.498 N/A ASN 497.A N PRO 493.A O no hydrogen 3.343 N/A ILE 499.A N TRP 495.A O no hydrogen 2.960 N/A ASN 500.A ND2 GLY 466.A O no hydrogen 3.647 N/A GLU 501.A N ALA 498.A O no hydrogen 3.465 N/A ASN 504.A ND2 ALA 498.A O no hydrogen 2.479 N/A SER 505.A OG HIS 596.A NE2 no hydrogen 3.238 N/A GLY 511.A N ASP 514.A OD1 no hydrogen 2.540 N/A ASP 514.A N GLY 511.A O no hydrogen 2.880 N/A PHE 515.A N GLY 511.A O no hydrogen 3.177 N/A PHE 515.A N PRO 512.A O no hydrogen 3.213 N/A LEU 516.A N PRO 512.A O no hydrogen 3.475 N/A HIS 518.A N ASP 514.A O no hydrogen 3.423 N/A HIS 518.A ND1 ASP 514.A O no hydrogen 2.594 N/A HIS 519.A N PHE 515.A O no hydrogen 3.338 N/A ALA 520.A N LEU 516.A O no hydrogen 3.015 N/A ILE 521.A N VAL 517.A O no hydrogen 2.823 N/A ALA 522.A N HIS 518.A O no hydrogen 2.977 N/A LEU 523.A N HIS 519.A O no hydrogen 2.735 N/A GLY 524.A N ALA 520.A O no hydrogen 2.876 N/A LEU 525.A N ILE 521.A O no hydrogen 2.833 N/A HIS 526.A N ALA 522.A O no hydrogen 3.116 N/A HIS 526.A ND1 ALA 522.A O no hydrogen 2.350 N/A THR 527.A N LEU 523.A O no hydrogen 3.105 N/A THR 527.A OG1 LEU 523.A O no hydrogen 2.651 N/A THR 528.A N GLY 524.A O no hydrogen 3.194 N/A THR 528.A OG1 GLY 524.A O no hydrogen 2.647 N/A THR 529.A N LEU 525.A O no hydrogen 2.914 N/A THR 529.A OG1 LEU 525.A O no hydrogen 3.054 N/A THR 529.A OG1 HIS 526.A O no hydrogen 2.567 N/A LEU 530.A N HIS 526.A O no hydrogen 2.779 N/A ILE 531.A N THR 527.A O no hydrogen 3.012 N/A LEU 532.A N THR 528.A O no hydrogen 3.091 N/A VAL 533.A N THR 529.A O no hydrogen 2.952 N/A LYS 534.A N LEU 530.A O no hydrogen 3.221 N/A LYS 534.A NZ LYS 534.A O no hydrogen 3.406 N/A LYS 534.A NZ ASP 538.A OD2 no hydrogen 2.788 N/A GLY 535.A N ILE 531.A O no hydrogen 3.242 N/A ALA 536.A N LEU 532.A O no hydrogen 3.110 N/A LEU 537.A N VAL 533.A O no hydrogen 2.728 N/A ASP 538.A N LYS 534.A O no hydrogen 3.156 N/A ALA 539.A N ALA 536.A O no hydrogen 3.272 N/A ARG 540.A NE PHE 392.A O no hydrogen 2.865 N/A GLY 541.A N ASP 538.A O no hydrogen 3.193 N/A SER 542.A N MET 545.A O no hydrogen 2.995 N/A MET 545.A N SER 542.A OG no hydrogen 3.313 N/A LYS 548.A NZ ASP 538.A O no hydrogen 2.694 N/A LYS 548.A NZ ILE 568.A O no hydrogen 3.003 N/A LYS 549.A N ARG 540.A O no hydrogen 3.070 N/A LYS 549.A NZ ASP 550.A OD1 no hydrogen 2.473 N/A LYS 549.A NZ ASP 550.A OD2 no hydrogen 3.338 N/A ASP 550.A N ASP 547.A O no hydrogen 2.873 N/A PHE 551.A N LYS 548.A O no hydrogen 3.156 N/A ASP 558.A N THR 565.A OG1 no hydrogen 3.144 N/A ARG 562.A NE LEU 544.A O no hydrogen 3.157 N/A ARG 562.A NH1 ASP 558.A OD2 no hydrogen 3.187 N/A ARG 562.A NH2 LEU 544.A O no hydrogen 2.919 N/A ARG 562.A NH2 ASP 558.A OD2 no hydrogen 2.493 N/A GLY 564.A N GLY 561.A O no hydrogen 3.197 N/A THR 565.A OG1 GLY 559.A O no hydrogen 2.316 N/A SER 569.A OG PHE 555.A O no hydrogen 3.118 N/A SER 569.A OG ASP 572.A OD1 no hydrogen 2.252 N/A TRP 571.A N TYR 553.A O no hydrogen 3.232 N/A ASP 573.A N SER 569.A O no hydrogen 3.316 N/A PHE 574.A N ALA 570.A O no hydrogen 3.220 N/A TYR 575.A N TRP 571.A O no hydrogen 2.977 N/A LEU 576.A N ASP 572.A O no hydrogen 2.788 N/A ALA 577.A N ASP 573.A O no hydrogen 3.104 N/A VAL 578.A N PHE 574.A O no hydrogen 2.936 N/A MET 581.A N ALA 577.A O no hydrogen 2.729 N/A LEU 582.A N VAL 578.A O no hydrogen 3.050 N/A ASN 583.A N PHE 579.A O no hydrogen 3.113 N/A THR 584.A N TRP 580.A O no hydrogen 2.974 N/A THR 584.A OG1 TRP 580.A O no hydrogen 2.764 N/A ILE 585.A N MET 581.A O no hydrogen 2.980 N/A GLY 586.A N LEU 582.A O no hydrogen 2.876 N/A TRP 587.A N ASN 583.A O no hydrogen 2.982 N/A VAL 588.A N THR 584.A O no hydrogen 2.987 N/A THR 589.A N ILE 585.A O no hydrogen 2.829 N/A THR 589.A OG1 ILE 585.A O no hydrogen 2.847 N/A THR 589.A OG1 GLY 586.A O no hydrogen 3.135 N/A PHE 590.A N GLY 586.A O no hydrogen 2.959 N/A TYR 591.A N TRP 587.A O no hydrogen 3.047 N/A TYR 591.A OH ASP 514.A OD2 no hydrogen 2.615 N/A TRP 592.A N VAL 588.A O no hydrogen 2.992 N/A HIS 593.A N THR 589.A O no hydrogen 3.006 N/A HIS 593.A ND1 TYR 621.A OH no hydrogen 2.804 N/A HIS 593.A NE2 THR 727.A OG1 no hydrogen 2.793 N/A TRP 594.A N PHE 590.A O no hydrogen 3.041 N/A LYS 595.A N TYR 591.A O no hydrogen 3.428 N/A LYS 595.A NZ THR 509.A O no hydrogen 3.026 N/A LYS 595.A NZ ASP 514.A OD2 no hydrogen 3.073 N/A HIS 596.A N TRP 592.A O no hydrogen 3.306 N/A HIS 596.A N HIS 593.A O no hydrogen 3.153 N/A HIS 596.A ND1 TRP 592.A O no hydrogen 2.595 N/A ILE 597.A N HIS 593.A O no hydrogen 2.895 N/A THR 598.A N TRP 594.A O no hydrogen 3.186 N/A THR 598.A OG1 TRP 594.A O no hydrogen 2.894 N/A THR 598.A OG1 LYS 595.A O no hydrogen 2.969 N/A TRP 600.A N HIS 596.A O no hydrogen 2.703 N/A GLY 602.A N LEU 599.A O no hydrogen 2.959 N/A ASN 603.A N THR 598.A O no hydrogen 2.726 N/A SER 605.A OG GLU 609.A OE2 no hydrogen 3.459 N/A GLN 606.A N ASN 603.A O no hydrogen 3.454 N/A ASN 608.A N VAL 604.A O no hydrogen 3.097 N/A SER 610.A N GLN 606.A O no hydrogen 3.087 N/A SER 610.A OG GLN 606.A O no hydrogen 3.014 N/A SER 610.A OG ASP 620.A OD2 no hydrogen 2.712 N/A SER 611.A N PHE 607.A O no hydrogen 3.063 N/A SER 611.A OG PHE 607.A O no hydrogen 2.689 N/A THR 612.A OG1 GLN 450.A OE1 no hydrogen 3.158 N/A THR 612.A OG1 GLU 609.A O no hydrogen 3.186 N/A LEU 614.A N ASP 439.A OD1 no hydrogen 3.029 N/A MET 615.A N ASP 439.A OD2 no hydrogen 3.069 N/A GLY 616.A N TYR 613.A O no hydrogen 2.993 N/A TRP 617.A N LEU 614.A O no hydrogen 3.229 N/A TRP 617.A NE1 SER 611.A O no hydrogen 3.229 N/A LEU 618.A N LEU 614.A O no hydrogen 3.324 N/A ARG 619.A N MET 615.A O no hydrogen 3.039 N/A ARG 619.A NE ASP 620.A OD1 no hydrogen 2.515 N/A ARG 619.A NH1 TYR 613.A OH no hydrogen 3.288 N/A ARG 619.A NH2 TYR 613.A OH no hydrogen 3.198 N/A ARG 619.A NH2 ASP 620.A OD2 no hydrogen 2.065 N/A ASP 620.A N GLY 616.A O no hydrogen 2.859 N/A TYR 621.A N TRP 617.A O no hydrogen 3.264 N/A TYR 621.A OH HIS 593.A ND1 no hydrogen 2.804 N/A LEU 622.A N TRP 617.A O no hydrogen 3.106 N/A TRP 623.A N LEU 618.A O no hydrogen 3.025 N/A LEU 624.A N ARG 619.A O no hydrogen 2.870 N/A ASN 625.A ND2 ASP 620.A O no hydrogen 3.436 N/A ASN 625.A ND2 TYR 621.A O no hydrogen 2.714 N/A SER 626.A N TRP 623.A O no hydrogen 3.379 N/A SER 626.A OG LEU 622.A O no hydrogen 2.538 N/A ILE 630.A N SER 626.A O no hydrogen 2.795 N/A ASN 631.A ND2 SER 627.A O no hydrogen 2.612 N/A GLY 632.A N LEU 629.A O no hydrogen 2.952 N/A THR 634.A N VAL 637.A O no hydrogen 2.888 N/A THR 634.A OG1 ASN 631.A O no hydrogen 3.544 N/A CYS 638.A SG ASN 639.A O no hydrogen 3.928 N/A ASN 639.A N GLY 632.A O no hydrogen 2.626 N/A SER 642.A N ASN 639.A O no hydrogen 3.290 N/A SER 642.A OG ASN 639.A O no hydrogen 3.290 N/A TRP 644.A N LEU 641.A O no hydrogen 3.192 N/A ALA 645.A N LEU 641.A O no hydrogen 3.079 N/A TRP 646.A N SER 642.A O no hydrogen 3.072 N/A MET 647.A N VAL 643.A O no hydrogen 2.912 N/A PHE 648.A N TRP 644.A O no hydrogen 2.802 N/A LEU 649.A N ALA 645.A O no hydrogen 3.306 N/A PHE 650.A N TRP 646.A O no hydrogen 2.772 N/A GLY 651.A N MET 647.A O no hydrogen 2.725 N/A HIS 652.A N PHE 648.A O no hydrogen 3.310 N/A HIS 652.A ND1 PHE 648.A O no hydrogen 2.539 N/A LEU 653.A N LEU 649.A O no hydrogen 3.112 N/A LEU 653.A N PHE 650.A O no hydrogen 2.995 N/A VAL 654.A N PHE 650.A O no hydrogen 3.065 N/A TRP 655.A N GLY 651.A O no hydrogen 3.100 N/A ALA 656.A N HIS 652.A O no hydrogen 3.043 N/A THR 657.A N LEU 653.A O no hydrogen 3.136 N/A THR 657.A N VAL 654.A O no hydrogen 3.175 N/A THR 657.A OG1 LEU 653.A O no hydrogen 2.299 N/A GLY 658.A N VAL 654.A O no hydrogen 3.187 N/A MET 660.A N THR 657.A O no hydrogen 3.147 N/A LEU 662.A N GLY 658.A O no hydrogen 3.085 N/A ILE 663.A N PHE 659.A O no hydrogen 2.929 N/A SER 664.A N MET 660.A O no hydrogen 3.166 N/A SER 664.A OG MET 660.A O no hydrogen 2.368 N/A TRP 665.A NE1 LEU 662.A O no hydrogen 3.072 N/A ARG 666.A NE ALA 697.A O no hydrogen 3.226 N/A ARG 666.A NE LEU 698.A O no hydrogen 3.193 N/A ARG 666.A NH2 ALA 697.A O no hydrogen 3.457 N/A TRP 669.A NE1 SER 664.A OG no hydrogen 3.133 N/A GLN 670.A N ARG 666.A O no hydrogen 2.992 N/A GLU 671.A N GLY 667.A O no hydrogen 3.463 N/A LEU 672.A N TYR 668.A O no hydrogen 3.203 N/A ILE 673.A N TRP 669.A O no hydrogen 2.902 N/A GLU 674.A N GLN 670.A O no hydrogen 3.088 N/A THR 675.A N LEU 672.A O no hydrogen 3.219 N/A THR 675.A OG1 LEU 672.A O no hydrogen 2.403 N/A LEU 676.A N LEU 672.A O no hydrogen 3.336 N/A ALA 677.A N ILE 673.A O no hydrogen 2.743 N/A TRP 678.A N GLU 674.A O no hydrogen 3.284 N/A ALA 679.A N THR 675.A O no hydrogen 3.116 N/A HIS 680.A N LEU 676.A O no hydrogen 3.152 N/A GLU 681.A N ALA 677.A O no hydrogen 3.444 N/A ARG 682.A N TRP 678.A O no hydrogen 3.186 N/A THR 683.A OG1 ALA 679.A O no hydrogen 2.687 N/A ALA 686.A N THR 683.A O no hydrogen 3.203 N/A ILE 689.A N ALA 686.A O no hydrogen 3.301 N/A LYS 694.A N PRO 14.A O no hydrogen 2.991 N/A ALA 697.A N GLN 670.A OE1 no hydrogen 2.697 N/A SER 699.A N GLN 702.A OE1 no hydrogen 3.242 N/A GLN 702.A N SER 699.A OG no hydrogen 2.890 N/A ALA 703.A N SER 699.A O no hydrogen 3.025 N/A ARG 704.A NH2 PRO 556.A O no hydrogen 2.873 N/A LEU 705.A N VAL 701.A O no hydrogen 3.044 N/A VAL 706.A N GLN 702.A O no hydrogen 2.741 N/A GLY 707.A N ALA 703.A O no hydrogen 2.761 N/A LEU 708.A N ARG 704.A O no hydrogen 3.072 N/A VAL 709.A N LEU 705.A O no hydrogen 2.739 N/A HIS 710.A N VAL 706.A O no hydrogen 3.136 N/A PHE 711.A N GLY 707.A O no hydrogen 2.958 N/A SER 712.A N LEU 708.A O no hydrogen 2.828 N/A SER 712.A OG LEU 708.A O no hydrogen 2.704 N/A VAL 713.A N VAL 709.A O no hydrogen 2.869 N/A GLY 714.A N HIS 710.A O no hydrogen 3.020 N/A TYR 715.A N PHE 711.A O no hydrogen 3.096 N/A ILE 716.A N SER 712.A O no hydrogen 3.025 N/A PHE 717.A N VAL 713.A O no hydrogen 2.883 N/A THR 718.A N GLY 714.A O no hydrogen 2.964 N/A THR 718.A OG1 GLY 714.A O no hydrogen 2.415 N/A TYR 719.A N TYR 715.A O no hydrogen 3.504 N/A TYR 719.A OH TYR 621.A OH no hydrogen 3.398 N/A ALA 720.A N ILE 716.A O no hydrogen 2.791 N/A ALA 721.A N PHE 717.A O no hydrogen 2.931 N/A PHE 722.A N THR 718.A O no hydrogen 3.025 N/A LEU 723.A N TYR 719.A O no hydrogen 2.568 N/A ILE 724.A N ALA 720.A O no hydrogen 3.205 N/A ALA 725.A N ALA 721.A O no hydrogen 3.381 N/A SER 726.A N PHE 722.A O no hydrogen 3.114 N/A SER 726.A OG PHE 722.A O no hydrogen 2.557 N/A THR 727.A OG1 HIS 593.A NE2 no hydrogen 2.793 N/A THR 727.A OG1 LEU 723.A O no hydrogen 2.520 N/A SER 728.A N ILE 724.A O no hydrogen 2.585 N/A SER 728.A OG TYR 115.A OH no hydrogen 2.773 N/A SER 728.A OG ILE 724.A O no hydrogen 2.887 N/A GLY 729.A N ALA 725.A O no hydrogen 2.755 N/A LYS 730.A NZ GLN 601.A OE1 no hydrogen 3.054 N/A LYS 730.A NZ ASN 625.A OD1 no hydrogen 3.283 N/A PHE 731.A N THR 727.A O no hydrogen 2.752 N/A