Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m1c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 6.A N GLY 56.A O no hydrogen 2.878 N/A THR 7.A N PRO 5.A O no hydrogen 3.162 N/A SER 11.A N ASP 9.A OD1 no hydrogen 3.489 N/A ASP 12.A N ASP 9.A O no hydrogen 2.651 N/A LEU 18.A N ARG 15.A O no hydrogen 3.015 N/A ALA 19.A N GLY 16.A O no hydrogen 3.207 N/A LEU 24.A N PRO 21.A O no hydrogen 3.004 N/A ASN 25.A N GLY 22.A O no hydrogen 3.198 N/A THR 27.A OG1 SER 30.A OG no hydrogen 3.124 N/A SER 30.A N THR 27.A O no hydrogen 2.776 N/A SER 30.A OG ASN 25.A O no hydrogen 2.761 N/A SER 30.A OG THR 27.A O no hydrogen 2.811 N/A SER 30.A OG THR 27.A OG1 no hydrogen 3.124 N/A VAL 31.A N THR 27.A O no hydrogen 3.055 N/A TRP 36.A NE1 VAL 31.A O no hydrogen 2.996 N/A PHE 41.A N ALA 38.A O no hydrogen 2.687 N/A CYS 42.A N ILE 61.A O no hydrogen 2.776 N/A CYS 42.A SG PHE 43.A O no hydrogen 3.880 N/A VAL 44.A N LEU 59.A O no hydrogen 2.871 N/A VAL 46.A N GLN 57.A O no hydrogen 2.837 N/A ASP 54.A N GLU 50.A O no hydrogen 3.168 N/A GLY 56.A N ASP 54.A OD2 no hydrogen 3.135 N/A LEU 59.A N VAL 44.A O no hydrogen 2.905 N/A TYR 60.A N LEU 18.A O no hydrogen 3.098 N/A TYR 60.A OH TRP 36.A O no hydrogen 2.611 N/A ILE 61.A N CYS 42.A O no hydrogen 2.962 N/A LYS 63.A N ARG 40.A O no hydrogen 2.989 N/A LYS 63.A NZ GLU 39.A O no hydrogen 2.842 N/A LYS 63.A NZ PHE 41.A O no hydrogen 2.882 N/A TYR 65.A N PRO 62.A O no hydrogen 2.909 N/A LEU 66.A N LYS 63.A O no hydrogen 2.695 N/A LEU 67.A N THR 64.A O no hydrogen 3.240 N/A THR 71.A N GLY 178.A O no hydrogen 3.065 N/A LEU 73.A N PRO 176.A O no hydrogen 2.918 N/A ASN 79.A ND2 GLY 75.A O no hydrogen 3.555 N/A GLY 81.A N ASN 79.A OD1 no hydrogen 2.546 N/A ALA 82.A N ASN 79.A O no hydrogen 3.094 N/A ALA 84.A N GLY 81.A O no hydrogen 2.824 N/A LEU 85.A N GLY 81.A O no hydrogen 3.281 N/A LEU 85.A N ALA 82.A O no hydrogen 2.930 N/A LEU 86.A N ALA 82.A O no hydrogen 2.972 N/A ARG 87.A N SER 83.A O no hydrogen 3.129 N/A SER 88.A N LEU 85.A O no hydrogen 2.965 N/A SER 88.A OG LEU 85.A O no hydrogen 3.001 N/A ARG 89.A NH1 THR 93.A OG1 no hydrogen 2.832 N/A ALA 90.A N SER 88.A OG no hydrogen 2.995 N/A TRP 91.A N PHE 94.A O no hydrogen 2.875 N/A TRP 91.A NE1 VAL 229.A O no hydrogen 2.942 N/A VAL 92.A N ARG 89.A O no hydrogen 2.775 N/A THR 93.A N ARG 89.A O no hydrogen 3.110 N/A THR 104.A OG1 GLY 102.A O no hydrogen 2.787 N/A GLY 111.A N GLY 108.A O no hydrogen 2.923 N/A THR 113.A N HIS 116.A O no hydrogen 3.130 N/A GLY 119.A N HIS 116.A O no hydrogen 3.133 N/A ARG 121.A N ASP 110.A OD2 no hydrogen 3.051 N/A ASN 122.A ND2 THR 277.A OG1 no hydrogen 3.325 N/A ALA 123.A N GLN 281.A OE1 no hydrogen 2.613 N/A THR 132.A N PRO 129.A O no hydrogen 3.240 N/A THR 132.A OG1 PRO 129.A O no hydrogen 2.867 N/A HIS 135.A ND1 TRP 152.A O no hydrogen 3.163 N/A THR 138.A N PRO 136.A O no hydrogen 2.891 N/A ASN 139.A ND2 THR 138.A OG1 no hydrogen 3.347 N/A SER 141.A N HIS 144.A ND1 no hydrogen 3.466 N/A HIS 144.A N SER 141.A OG no hydrogen 2.968 N/A HIS 144.A NE2 HIS 135.A NE2 no hydrogen 3.124 N/A LEU 145.A N SER 141.A O no hydrogen 3.000 N/A HIS 146.A N ILE 142.A O no hydrogen 3.109 N/A HIS 146.A N ALA 143.A O no hydrogen 3.009 N/A ASN 147.A N ALA 143.A O no hydrogen 3.021 N/A VAL 150.A N ASN 147.A O no hydrogen 3.015 N/A THR 151.A OG1 HIS 144.A O no hydrogen 3.318 N/A THR 151.A OG1 ASN 147.A O no hydrogen 2.644 N/A LEU 153.A N ILE 330.A O no hydrogen 2.905 N/A ALA 155.A N ASP 328.A OD2 no hydrogen 2.906 N/A LEU 158.A N ALA 155.A O no hydrogen 2.952 N/A LEU 159.A N ALA 155.A O no hydrogen 2.803 N/A ARG 160.A N VAL 367.A O no hydrogen 2.930 N/A TYR 165.A N VAL 179.A O no hydrogen 2.749 N/A TYR 167.A N VAL 177.A O no hydrogen 2.857 N/A TYR 167.A OH GLU 216.A OE1 no hydrogen 2.978 N/A SER 169.A OG SER 171.A OG no hydrogen 2.724 N/A SER 169.A OG GLU 216.A OE1 no hydrogen 2.950 N/A SER 169.A OG GLU 216.A OE2 no hydrogen 2.730 N/A SER 171.A N SER 169.A OG no hydrogen 3.208 N/A SER 171.A OG SER 169.A OG no hydrogen 2.724 N/A ALA 172.A N SER 169.A O no hydrogen 3.218 N/A SER 173.A N SER 171.A OG no hydrogen 3.072 N/A SER 173.A OG SER 171.A O no hydrogen 2.844 N/A THR 174.A OG1 SER 173.A O no hydrogen 3.428 N/A THR 174.A OG1 ALA 227.A O no hydrogen 3.163 N/A VAL 177.A N TYR 167.A O no hydrogen 3.089 N/A GLY 178.A N THR 71.A O no hydrogen 2.730 N/A VAL 179.A N TYR 165.A O no hydrogen 2.813 N/A TRP 180.A NE1 ALA 68.A O no hydrogen 3.236 N/A THR 181.A N GLY 163.A O no hydrogen 3.218 N/A THR 181.A OG1 TYR 198.A O no hydrogen 2.799 N/A THR 182.A N TYR 198.A O no hydrogen 2.867 N/A GLY 183.A N THR 181.A OG1 no hydrogen 3.065 N/A GLY 184.A N SER 366.A O no hydrogen 3.311 N/A LEU 185.A N ALA 196.A O no hydrogen 3.222 N/A ALA 186.A N ASN 364.A O no hydrogen 2.966 N/A PHE 187.A N VAL 194.A O no hydrogen 2.978 N/A GLY 188.A N PHE 362.A O no hydrogen 3.184 N/A CYS 189.A N ALA 192.A O no hydrogen 2.862 N/A LEU 193.A N SER 208.A O no hydrogen 2.849 N/A VAL 194.A N PHE 187.A O no hydrogen 2.867 N/A ARG 195.A N VAL 206.A O no hydrogen 2.898 N/A ALA 196.A N LEU 185.A O no hydrogen 2.896 N/A ARG 197.A N GLY 204.A O no hydrogen 2.593 N/A ARG 197.A NH1 THR 181.A OG1 no hydrogen 3.343 N/A ARG 197.A NH2 TYR 165.A OH no hydrogen 3.503 N/A TYR 198.A N GLY 183.A O no hydrogen 2.863 N/A TYR 198.A OH ALA 314.A O no hydrogen 2.555 N/A GLY 199.A N PHE 202.A O no hydrogen 2.704 N/A LYS 200.A N TRP 180.A O no hydrogen 2.780 N/A PHE 202.A N GLY 199.A O no hydrogen 3.008 N/A MET 203.A N VAL 219.A O no hydrogen 3.045 N/A GLY 204.A N ARG 197.A O no hydrogen 2.733 N/A LEU 205.A N ILE 217.A O no hydrogen 3.029 N/A VAL 206.A N ARG 195.A O no hydrogen 2.895 N/A ILE 207.A N ALA 215.A O no hydrogen 3.127 N/A SER 208.A N LEU 193.A O no hydrogen 2.901 N/A SER 208.A OG LEU 193.A O no hydrogen 2.552 N/A ARG 210.A N ALA 191.A O no hydrogen 2.955 N/A ALA 215.A N ILE 207.A O no hydrogen 3.086 N/A GLU 216.A N LEU 255.A O no hydrogen 3.226 N/A ILE 217.A N LEU 205.A O no hydrogen 3.087 N/A ILE 218.A N PHE 253.A O no hydrogen 2.814 N/A VAL 219.A N MET 203.A O no hydrogen 2.849 N/A VAL 220.A N ARG 251.A O no hydrogen 3.097 N/A ALA 222.A N ARG 249.A O no hydrogen 3.007 N/A ASP 223.A N ASP 223.A OD1 no hydrogen 2.644 N/A LYS 224.A N PRO 221.A O no hydrogen 3.061 N/A LYS 224.A NZ ASP 223.A OD1 no hydrogen 3.176 N/A LYS 224.A NZ ASP 223.A OD2 no hydrogen 3.419 N/A ARG 228.A N ALA 239.A O no hydrogen 2.909 N/A ARG 228.A NE ALA 97.A O no hydrogen 3.020 N/A ARG 228.A NH1 ASP 234.A OD2 no hydrogen 2.810 N/A ARG 228.A NH2 ALA 97.A O no hydrogen 2.679 N/A ARG 228.A NH2 ASP 99.A OD1 no hydrogen 2.956 N/A VAL 229.A N SER 173.A O no hydrogen 2.786 N/A THR 233.A N ASN 231.A OD1 no hydrogen 2.916 N/A THR 233.A OG1 ASN 231.A OD1 no hydrogen 2.755 N/A THR 233.A OG1 ASP 234.A OD1 no hydrogen 3.113 N/A ASP 234.A N ASN 231.A O no hydrogen 3.149 N/A LEU 241.A N LEU 226.A O no hydrogen 3.040 N/A GLY 247.A N TYR 250.A O no hydrogen 3.097 N/A ARG 251.A N VAL 220.A O no hydrogen 2.724 N/A PHE 253.A N ILE 218.A O no hydrogen 2.929 N/A VAL 254.A N PRO 242.A O no hydrogen 3.226 N/A LEU 255.A N GLU 216.A O no hydrogen 2.786 N/A SER 261.A OG SER 304.A OG no hydrogen 2.949 N/A ASP 264.A N GLY 260.A O no hydrogen 3.462 N/A ALA 265.A N SER 261.A O no hydrogen 2.857 N/A LEU 266.A N ALA 262.A O no hydrogen 3.253 N/A ARG 267.A N LEU 263.A O no hydrogen 2.992 N/A ARG 267.A NE THR 104.A O no hydrogen 2.976 N/A ARG 267.A NH2 THR 104.A O no hydrogen 2.882 N/A ARG 268.A N ASP 264.A O no hydrogen 3.057 N/A VAL 269.A N ALA 265.A O no hydrogen 2.838 N/A ALA 270.A N LEU 266.A O no hydrogen 3.137 N/A GLY 271.A N ARG 268.A O no hydrogen 3.126 N/A TYR 272.A N VAL 269.A O no hydrogen 3.095 N/A GLU 275.A N TYR 272.A O no hydrogen 3.201 N/A SER 276.A N TYR 282.A OH no hydrogen 3.160 N/A SER 276.A OG ASN 122.A OD1 no hydrogen 3.067 N/A SER 276.A OG ASN 278.A O no hydrogen 3.525 N/A SER 276.A OG GLN 281.A OE1 no hydrogen 3.138 N/A THR 277.A N ASN 122.A OD1 no hydrogen 2.715 N/A THR 277.A OG1 ASN 122.A OD1 no hydrogen 3.082 N/A ASN 278.A N SER 276.A OG no hydrogen 2.879 N/A ASN 278.A ND2 ALA 123.A O no hydrogen 3.423 N/A TYR 279.A OH ASP 334.A OD2 no hydrogen 3.399 N/A ALA 280.A N ASN 278.A OD1 no hydrogen 3.019 N/A GLN 281.A NE2 ARG 121.A O no hydrogen 3.014 N/A GLN 281.A NE2 HIS 502.A O no hydrogen 2.759 N/A TYR 282.A OH TYR 272.A O no hydrogen 2.590 N/A TYR 282.A OH SER 276.A O no hydrogen 3.125 N/A MET 283.A N TYR 279.A O no hydrogen 3.388 N/A SER 284.A N ALA 280.A O no hydrogen 2.878 N/A SER 284.A OG HIS 502.A ND1 no hydrogen 2.801 N/A ARG 285.A N GLN 281.A O no hydrogen 3.335 N/A ARG 285.A NH1 GLU 275.A OE2 no hydrogen 2.822 N/A ARG 285.A NH2 GLU 275.A OE2 no hydrogen 3.317 N/A ALA 286.A N TYR 282.A O no hydrogen 2.802 N/A TYR 287.A N MET 283.A O no hydrogen 2.959 N/A TYR 287.A OH HIS 341.A ND1 no hydrogen 2.786 N/A ALA 288.A N SER 284.A O no hydrogen 3.062 N/A GLU 289.A N ARG 285.A O no hydrogen 2.835 N/A PHE 290.A N ALA 286.A O no hydrogen 3.074 N/A LEU 291.A N ALA 288.A O no hydrogen 3.156 N/A GLY 292.A N GLU 289.A O no hydrogen 3.250 N/A GLY 296.A N ASP 294.A OD1 no hydrogen 3.094 N/A GLY 298.A N PRO 295.A O no hydrogen 3.117 N/A ASP 300.A N SER 297.A O no hydrogen 3.042 N/A ARG 302.A N ALA 353.A O no hydrogen 2.959 N/A ARG 302.A NE ASP 294.A O no hydrogen 3.201 N/A ARG 302.A NH1 GLY 298.A O no hydrogen 3.298 N/A ARG 302.A NH1 GLY 352.A O no hydrogen 3.367 N/A ARG 302.A NH2 ASP 294.A O no hydrogen 2.821 N/A ARG 302.A NH2 GLY 298.A O no hydrogen 3.206 N/A SER 304.A OG SER 261.A OG no hydrogen 2.949 N/A PHE 306.A N ARG 302.A O no hydrogen 3.004 N/A TRP 307.A N PRO 303.A O no hydrogen 3.091 N/A ARG 308.A N SER 304.A O no hydrogen 3.352 N/A LEU 309.A N LEU 305.A O no hydrogen 2.796 N/A ALA 310.A N PHE 306.A O no hydrogen 2.764 N/A GLY 311.A N TRP 307.A O no hydrogen 2.979 N/A LEU 312.A N ARG 308.A O no hydrogen 2.977 N/A LEU 313.A N LEU 309.A O no hydrogen 3.155 N/A ALA 314.A N ALA 310.A O no hydrogen 3.157 N/A SER 315.A N GLY 311.A O no hydrogen 3.019 N/A SER 315.A OG GLY 311.A O no hydrogen 3.123 N/A SER 316.A N LEU 312.A O no hydrogen 2.965 N/A SER 316.A N LEU 313.A O no hydrogen 3.124 N/A SER 316.A OG LEU 313.A O no hydrogen 3.239 N/A GLY 317.A N LEU 313.A O no hydrogen 3.171 N/A PHE 318.A N ALA 314.A O no hydrogen 3.114 N/A ALA 319.A N SER 315.A O no hydrogen 3.004 N/A PHE 320.A N SER 316.A O no hydrogen 2.742 N/A VAL 321.A N GLY 317.A O no hydrogen 3.008 N/A ASN 322.A N PHE 318.A O no hydrogen 3.152 N/A ALA 323.A N ALA 319.A O no hydrogen 2.803 N/A ALA 324.A N PHE 320.A O no hydrogen 3.055 N/A HIS 325.A ND1 VAL 321.A O no hydrogen 2.990 N/A ALA 326.A N ASN 322.A O no hydrogen 3.069 N/A HIS 327.A NE2 PRO 125.A O no hydrogen 2.946 N/A ASP 328.A N HIS 325.A O no hydrogen 3.052 N/A ALA 329.A N ALA 324.A O no hydrogen 3.382 N/A ILE 330.A N LEU 153.A O no hydrogen 2.783 N/A ARG 331.A NH2 ASP 334.A OD2 no hydrogen 3.512 N/A LEU 332.A N THR 151.A O no hydrogen 2.895 N/A SER 333.A OG ALA 148.A O no hydrogen 3.175 N/A LEU 335.A N ARG 331.A O no hydrogen 2.997 N/A LEU 336.A N LEU 332.A O no hydrogen 3.160 N/A GLY 337.A N SER 333.A O no hydrogen 3.050 N/A PHE 338.A N ASP 334.A O no hydrogen 2.750 N/A LEU 339.A N LEU 335.A O no hydrogen 2.948 N/A ALA 340.A N LEU 336.A O no hydrogen 2.934 N/A HIS 341.A N GLY 337.A O no hydrogen 2.726 N/A HIS 341.A ND1 TYR 287.A OH no hydrogen 2.786 N/A SER 342.A N PHE 338.A O no hydrogen 2.969 N/A SER 342.A OG PHE 338.A O no hydrogen 2.698 N/A ARG 343.A N LEU 339.A O no hydrogen 3.372 N/A VAL 344.A N ALA 340.A O no hydrogen 2.927 N/A LEU 345.A N HIS 341.A O no hydrogen 2.757 N/A ALA 346.A N SER 342.A O no hydrogen 2.980 N/A GLY 347.A N VAL 344.A O no hydrogen 3.301 N/A LEU 348.A N VAL 344.A O no hydrogen 3.135 N/A ALA 349.A N LEU 345.A O no hydrogen 2.796 N/A ALA 350.A N ALA 346.A O no hydrogen 3.195 N/A ARG 351.A N GLY 347.A O no hydrogen 2.854 N/A ARG 351.A NH1 TRP 561.A O no hydrogen 3.249 N/A ARG 351.A NH2 TRP 561.A O no hydrogen 2.842 N/A ARG 351.A NH2 HIS 563.A O no hydrogen 2.839 N/A GLY 352.A N LEU 348.A O no hydrogen 3.005 N/A ALA 353.A N ALA 349.A O no hydrogen 2.854 N/A ALA 354.A N ALA 349.A O no hydrogen 3.082 N/A CYS 356.A N ALA 350.A O no hydrogen 3.060 N/A CYS 356.A SG ASP 190.A OD1 no hydrogen 2.898 N/A SER 360.A N ALA 357.A O no hydrogen 2.857 N/A SER 360.A OG ALA 357.A O no hydrogen 2.880 N/A VAL 361.A N ALA 358.A O no hydrogen 3.105 N/A PHE 362.A N GLY 188.A O no hydrogen 2.840 N/A ASN 364.A N ALA 186.A O no hydrogen 2.723 N/A SER 366.A N GLY 184.A O no hydrogen 2.880 N/A SER 366.A OG GLY 184.A O no hydrogen 3.142 N/A ASP 369.A N LEU 158.A O no hydrogen 2.815 N/A ARG 373.A N ASP 369.A O no hydrogen 2.956 N/A LEU 374.A N PRO 370.A O no hydrogen 3.214 N/A ARG 375.A N ALA 371.A O no hydrogen 3.239 N/A LEU 376.A N ALA 372.A O no hydrogen 2.822 N/A GLU 377.A N ARG 373.A O no hydrogen 2.718 N/A ALA 378.A N LEU 374.A O no hydrogen 3.052 N/A ALA 378.A N ARG 375.A O no hydrogen 2.993 N/A ARG 379.A N ARG 375.A O no hydrogen 2.975 N/A ARG 379.A NE LEU 140.A O no hydrogen 3.018 N/A LEU 380.A N LEU 376.A O no hydrogen 2.841 N/A GLY 381.A N GLU 377.A O no hydrogen 3.074 N/A HIS 382.A N ALA 378.A O no hydrogen 3.173 N/A LEU 383.A N ARG 379.A O no hydrogen 2.870 N/A VAL 384.A N LEU 380.A O no hydrogen 2.908 N/A ALA 385.A N GLY 381.A O no hydrogen 3.195 N/A ALA 386.A N HIS 382.A O no hydrogen 2.862 N/A ILE 387.A N LEU 383.A O no hydrogen 2.791 N/A LEU 388.A N VAL 384.A O no hydrogen 3.490 N/A GLU 389.A N ALA 386.A O no hydrogen 2.668 N/A ARG 390.A N ALA 386.A O no hydrogen 2.769 N/A GLU 391.A N ILE 387.A O no hydrogen 3.169 N/A VAL 395.A N SER 393.A OG no hydrogen 3.256 N/A HIS 397.A N SER 393.A O no hydrogen 3.209 N/A ALA 398.A N LEU 394.A O no hydrogen 3.110 N/A LEU 399.A N VAL 395.A O no hydrogen 3.238 N/A LEU 399.A N ALA 396.A O no hydrogen 3.071 N/A GLY 400.A N ALA 396.A O no hydrogen 2.942 N/A TYR 401.A N HIS 397.A O no hydrogen 3.079 N/A TYR 401.A OH SER 419.A OG no hydrogen 2.999 N/A GLN 402.A N ALA 398.A O no hydrogen 3.105 N/A LEU 403.A N LEU 399.A O no hydrogen 2.901 N/A ALA 404.A N GLY 400.A O no hydrogen 3.195 N/A PHE 405.A N TYR 401.A O no hydrogen 2.914 N/A VAL 406.A N GLN 402.A O no hydrogen 3.108 N/A LEU 407.A N LEU 403.A O no hydrogen 3.021 N/A ASP 408.A N ALA 404.A O no hydrogen 2.726 N/A ALA 412.A N SER 409.A OG no hydrogen 3.068 N/A TYR 413.A N SER 409.A O no hydrogen 2.938 N/A TYR 413.A OH ASP 408.A OD1 no hydrogen 3.073 N/A GLY 414.A N ALA 411.A O no hydrogen 2.808 N/A ALA 415.A N ALA 411.A O no hydrogen 3.139 N/A VAL 416.A N ALA 412.A O no hydrogen 3.437 N/A ALA 417.A N GLY 414.A O no hydrogen 3.442 N/A SER 419.A OG HIS 397.A ND1 no hydrogen 3.422 N/A SER 419.A OG TYR 401.A OH no hydrogen 2.999 N/A ALA 420.A N VAL 416.A O no hydrogen 2.887 N/A ALA 421.A N ALA 417.A O no hydrogen 3.040 N/A ARG 422.A N PRO 418.A O no hydrogen 3.093 N/A LEU 423.A N SER 419.A O no hydrogen 3.067 N/A ILE 424.A N ALA 420.A O no hydrogen 3.062 N/A ASP 425.A N ALA 421.A O no hydrogen 3.085 N/A ALA 426.A N ARG 422.A O no hydrogen 3.072 N/A LEU 427.A N LEU 423.A O no hydrogen 2.937 N/A TYR 428.A N ILE 424.A O no hydrogen 3.152 N/A TYR 428.A OH LEU 670.A O no hydrogen 2.516 N/A ALA 429.A N ASP 425.A O no hydrogen 3.390 N/A GLU 430.A N ALA 426.A O no hydrogen 3.160 N/A PHE 431.A N LEU 427.A O no hydrogen 2.971 N/A LEU 432.A N TYR 428.A O no hydrogen 2.881 N/A GLY 433.A N ALA 429.A O no hydrogen 2.932 N/A GLY 434.A N PHE 431.A O no hydrogen 3.106 N/A ARG 435.A N GLU 430.A O no hydrogen 2.885 N/A ARG 435.A NH1 GLU 430.A OE1 no hydrogen 3.447 N/A ARG 443.A N ALA 439.A O no hydrogen 2.998 N/A ARG 443.A NE PHE 513.A O no hydrogen 2.689 N/A ARG 443.A NH1 THR 438.A O no hydrogen 3.167 N/A ARG 443.A NH2 PHE 513.A O no hydrogen 3.461 N/A ARG 444.A N PRO 440.A O no hydrogen 2.925 N/A ARG 444.A NH1 ASP 511.A OD1 no hydrogen 3.093 N/A ALA 445.A N MET 441.A O no hydrogen 3.172 N/A LEU 446.A N VAL 442.A O no hydrogen 2.868 N/A PHE 447.A N ARG 443.A O no hydrogen 2.684 N/A TYR 448.A N ARG 444.A O no hydrogen 3.303 N/A ALA 449.A N ALA 445.A O no hydrogen 3.033 N/A THR 450.A N LEU 446.A O no hydrogen 3.094 N/A THR 450.A OG1 LEU 446.A O no hydrogen 3.171 N/A THR 450.A OG1 PHE 447.A O no hydrogen 2.872 N/A ALA 451.A N PHE 447.A O no hydrogen 3.076 N/A VAL 452.A N TYR 448.A O no hydrogen 2.903 N/A VAL 452.A N ALA 449.A O no hydrogen 3.264 N/A LEU 453.A N ALA 449.A O no hydrogen 3.113 N/A PHE 457.A N ARG 454.A O no hydrogen 2.931 N/A ALA 459.A N ALA 455.A O no hydrogen 3.189 N/A GLY 460.A N PHE 457.A O no hydrogen 3.221 N/A SER 463.A N GLN 466.A OE1 no hydrogen 2.974 N/A GLN 466.A N SER 463.A OG no hydrogen 2.996 N/A ARG 467.A N SER 463.A O no hydrogen 2.814 N/A ARG 467.A NH2 HIS 596.A O no hydrogen 3.390 N/A GLU 468.A N ALA 464.A O no hydrogen 3.220 N/A ARG 469.A N GLU 465.A O no hydrogen 3.053 N/A ALA 470.A N GLN 466.A O no hydrogen 3.330 N/A ALA 470.A N ARG 467.A O no hydrogen 3.055 N/A ARG 471.A N ARG 467.A O no hydrogen 2.824 N/A ARG 471.A NE GLU 468.A OE2 no hydrogen 3.358 N/A ARG 471.A NH1 PRO 593.A O no hydrogen 2.727 N/A ARG 471.A NH2 GLU 468.A OE1 no hydrogen 3.301 N/A ARG 471.A NH2 GLU 468.A OE2 no hydrogen 2.961 N/A ARG 472.A N GLU 468.A O no hydrogen 3.245 N/A ARG 472.A NE ASP 425.A OD1 no hydrogen 2.943 N/A ARG 472.A NE ASP 425.A OD2 no hydrogen 3.362 N/A ARG 472.A NH2 ASP 425.A OD1 no hydrogen 2.568 N/A ARG 472.A NH2 ASP 672.A OD1 no hydrogen 2.657 N/A GLY 473.A N ARG 469.A O no hydrogen 3.427 N/A LEU 474.A N ALA 470.A O no hydrogen 2.834 N/A LEU 475.A N ARG 471.A O no hydrogen 2.916 N/A ILE 476.A N ARG 472.A O no hydrogen 3.014 N/A THR 477.A N GLY 473.A O no hydrogen 2.956 N/A THR 477.A OG1 GLY 473.A O no hydrogen 3.215 N/A THR 477.A OG1 LEU 474.A O no hydrogen 3.567 N/A THR 477.A OG1 ALA 518.A O no hydrogen 2.584 N/A THR 478.A N LEU 474.A O no hydrogen 3.000 N/A THR 478.A OG1 LEU 474.A O no hydrogen 2.848 N/A ALA 479.A N LEU 475.A O no hydrogen 3.102 N/A LEU 480.A N ILE 476.A O no hydrogen 2.787 N/A CYS 481.A N THR 477.A O no hydrogen 3.089 N/A CYS 481.A N THR 478.A O no hydrogen 3.307 N/A SER 483.A N MET 666.A O no hydrogen 2.785 N/A VAL 485.A N THR 482.A OG1 no hydrogen 3.188 N/A ALA 486.A N THR 482.A O no hydrogen 2.908 N/A ALA 487.A N SER 483.A O no hydrogen 2.999 N/A ALA 488.A N ASP 484.A O no hydrogen 3.064 N/A THR 489.A N VAL 485.A O no hydrogen 2.790 N/A HIS 490.A N ALA 486.A O no hydrogen 3.114 N/A HIS 490.A NE2 THR 551.A O no hydrogen 3.296 N/A ALA 491.A N ALA 487.A O no hydrogen 3.308 N/A ASP 492.A N ALA 488.A O no hydrogen 2.889 N/A LEU 493.A N THR 489.A O no hydrogen 3.218 N/A ARG 494.A N HIS 490.A O no hydrogen 3.066 N/A ARG 494.A NH1 GLN 550.A OE1 no hydrogen 3.252 N/A ARG 494.A NH2 GLN 550.A OE1 no hydrogen 3.168 N/A ALA 495.A N ALA 491.A O no hydrogen 2.954 N/A ALA 496.A N ASP 492.A O no hydrogen 2.789 N/A ALA 496.A N LEU 493.A O no hydrogen 3.049 N/A LEU 497.A N LEU 493.A O no hydrogen 2.982 N/A ALA 498.A N ARG 494.A O no hydrogen 3.305 N/A ARG 499.A N ALA 495.A O no hydrogen 3.347 N/A ARG 499.A N ALA 496.A O no hydrogen 3.133 N/A THR 500.A N LEU 497.A O no hydrogen 3.225 N/A ASP 501.A N ASN 505.A O no hydrogen 3.328 N/A HIS 502.A ND1 SER 284.A OG no hydrogen 2.801 N/A GLN 503.A N ASP 501.A OD1 no hydrogen 3.002 N/A ASN 505.A N ASP 501.A OD1 no hydrogen 2.981 N/A ASN 505.A ND2 ASP 501.A OD2 no hydrogen 3.434 N/A PHE 507.A N SER 284.A OG no hydrogen 2.912 N/A ASP 511.A N TRP 508.A O no hydrogen 3.083 N/A HIS 512.A N LEU 509.A O no hydrogen 2.679 N/A HIS 512.A ND1 ASP 492.A OD2 no hydrogen 3.315 N/A PHE 513.A N PRO 510.A O no hydrogen 3.193 N/A ALA 517.A N SER 514.A O no hydrogen 3.177 N/A ALA 518.A N PRO 515.A O no hydrogen 2.800 N/A SER 519.A OG CYS 516.A O no hydrogen 3.133 N/A LEU 520.A N THR 478.A OG1 no hydrogen 3.031 N/A ARG 521.A N SER 519.A OG no hydrogen 2.838 N/A ARG 521.A NE ASP 523.A OD1 no hydrogen 3.239 N/A ARG 521.A NH1 CYS 481.A O no hydrogen 2.867 N/A ARG 521.A NH2 ASP 523.A OD1 no hydrogen 3.455 N/A ARG 521.A NH2 ASP 523.A OD2 no hydrogen 2.831 N/A ARG 521.A NH2 VAL 665.A O no hydrogen 2.795 N/A PHE 522.A N ARG 589.A O no hydrogen 2.798 N/A ASP 523.A N ASP 523.A OD1 no hydrogen 2.673 N/A GLU 526.A N ASP 523.A O no hydrogen 3.172 N/A PHE 529.A N GLU 526.A O no hydrogen 3.092 N/A ILE 530.A N GLY 527.A O no hydrogen 3.063 N/A LEU 531.A N GLY 527.A O no hydrogen 3.300 N/A ASP 532.A N GLY 528.A O no hydrogen 3.373 N/A ALA 533.A N PHE 529.A O no hydrogen 3.068 N/A LEU 534.A N ILE 530.A O no hydrogen 3.079 N/A LEU 534.A N LEU 531.A O no hydrogen 3.175 N/A ALA 535.A N LEU 531.A O no hydrogen 3.001 N/A MET 536.A N ASP 532.A O no hydrogen 3.288 N/A ALA 537.A N LEU 534.A O no hydrogen 3.221 N/A VAL 546.A N PRO 543.A O no hydrogen 3.007 N/A MET 547.A N PRO 543.A O no hydrogen 2.981 N/A ALA 548.A N ALA 544.A O no hydrogen 3.097 N/A GLN 549.A N ASP 545.A O no hydrogen 3.343 N/A GLN 550.A N VAL 546.A O no hydrogen 2.715 N/A THR 551.A N MET 547.A O no hydrogen 2.989 N/A THR 551.A OG1 MET 547.A O no hydrogen 3.105 N/A ARG 552.A N ALA 548.A O no hydrogen 3.080 N/A GLY 553.A N GLN 549.A O no hydrogen 3.158 N/A VAL 554.A N GLN 550.A O no hydrogen 3.232 N/A ALA 555.A N THR 551.A O no hydrogen 2.763 N/A SER 556.A N ARG 552.A O no hydrogen 2.944 N/A SER 556.A OG ARG 552.A O no hydrogen 3.303 N/A VAL 557.A N GLY 553.A O no hydrogen 3.079 N/A LEU 558.A N VAL 554.A O no hydrogen 3.108 N/A THR 559.A N ALA 555.A O no hydrogen 3.225 N/A THR 559.A OG1 ALA 555.A O no hydrogen 3.328 N/A THR 559.A OG1 SER 556.A O no hydrogen 3.025 N/A ARG 560.A N SER 556.A O no hydrogen 3.039 N/A TRP 561.A N VAL 557.A O no hydrogen 2.860 N/A ALA 562.A N LEU 558.A O no hydrogen 3.207 N/A HIS 563.A N ARG 560.A O no hydrogen 3.264 N/A LEU 567.A N TYR 564.A O no hydrogen 3.173 N/A ILE 568.A N TYR 564.A O no hydrogen 3.338 N/A ARG 569.A N ASN 565.A O no hydrogen 2.804 N/A ARG 569.A NH2 ASP 359.A OD1 no hydrogen 3.246 N/A ARG 569.A NH2 ASP 359.A OD2 no hydrogen 3.535 N/A ALA 570.A N LEU 567.A O no hydrogen 2.820 N/A PHE 571.A N LEU 567.A O no hydrogen 2.927 N/A PHE 571.A N ILE 568.A O no hydrogen 3.257 N/A VAL 572.A N ILE 568.A O no hydrogen 3.161 N/A ARG 589.A N VAL 602.A O no hydrogen 2.743 N/A ARG 589.A NH1 GLU 587.A O no hydrogen 3.336 N/A ARG 589.A NH2 PHE 522.A O no hydrogen 2.947 N/A ILE 590.A N VAL 602.A O no hydrogen 3.301 N/A LEU 591.A N LEU 520.A O no hydrogen 3.075 N/A VAL 592.A N TYR 600.A O no hydrogen 2.892 N/A THR 595.A N ALA 598.A O no hydrogen 3.243 N/A ALA 598.A N THR 595.A O no hydrogen 3.296 N/A ALA 598.A N THR 595.A OG1 no hydrogen 3.006 N/A SER 599.A N LEU 629.A O no hydrogen 3.106 N/A SER 599.A OG PHE 571.A O no hydrogen 2.542 N/A TYR 600.A N VAL 592.A O no hydrogen 2.897 N/A TYR 600.A OH PHE 704.A O no hydrogen 2.785 N/A VAL 601.A N THR 627.A O no hydrogen 2.776 N/A VAL 602.A N ILE 590.A O no hydrogen 2.810 N/A THR 603.A N PHE 625.A O no hydrogen 3.049 N/A THR 603.A OG1 THR 605.A O no hydrogen 2.596 N/A HIS 604.A ND1 PRO 623.A O no hydrogen 3.147 N/A HIS 604.A NE2 GLU 526.A OE2 no hydrogen 2.988 N/A ARG 609.A NH1 PRO 573.A O no hydrogen 3.012 N/A ARG 609.A NH1 THR 632.A O no hydrogen 3.544 N/A ARG 609.A NH2 PRO 573.A O no hydrogen 2.914 N/A GLY 610.A N GLU 634.A O no hydrogen 2.550 N/A ILE 611.A N TYR 628.A O no hydrogen 3.077 N/A GLY 612.A N HIS 636.A O no hydrogen 2.714 N/A TYR 613.A N ILE 626.A O no hydrogen 2.785 N/A TYR 613.A OH GLY 707.A O no hydrogen 2.899 N/A LEU 615.A N LEU 624.A O no hydrogen 3.122 N/A ASP 619.A N PRO 661.A O no hydrogen 2.913 N/A ARG 621.A N ASP 619.A OD1 no hydrogen 3.467 N/A ARG 622.A N ASP 619.A O no hydrogen 2.883 N/A PHE 625.A N THR 603.A O no hydrogen 2.913 N/A ILE 626.A N TYR 613.A O no hydrogen 2.908 N/A THR 627.A N VAL 601.A O no hydrogen 2.850 N/A TYR 628.A N ILE 611.A O no hydrogen 2.598 N/A TYR 628.A OH PRO 705.A O no hydrogen 3.084 N/A LEU 629.A N SER 599.A O no hydrogen 2.703 N/A HIS 636.A N GLY 610.A O no hydrogen 3.373 N/A ARG 638.A N GLY 612.A O no hydrogen 3.052 N/A LYS 643.A N HIS 711.A O no hydrogen 2.989 N/A LYS 643.A NZ PRO 642.A O no hydrogen 3.336 N/A LEU 649.A N GLN 677.A OE1 no hydrogen 2.637 N/A GLY 650.A N ASP 648.A OD1 no hydrogen 3.103 N/A GLY 653.A N VAL 671.A O no hydrogen 2.899 N/A ALA 654.A N LEU 651.A O no hydrogen 2.866 N/A VAL 655.A N LEU 703.A O no hydrogen 2.872 N/A PHE 656.A N LEU 669.A O no hydrogen 2.701 N/A LEU 657.A N LEU 701.A O no hydrogen 3.054 N/A ARG 658.A N SER 667.A O no hydrogen 2.968 N/A ARG 658.A NH1 SER 698.A OG no hydrogen 2.658 N/A ARG 658.A NH1 PHE 715.A O no hydrogen 3.273 N/A ARG 658.A NH2 PHE 692.A O no hydrogen 2.629 N/A ARG 658.A NH2 PHE 715.A O no hydrogen 2.878 N/A TYR 659.A N VAL 699.A O no hydrogen 2.989 N/A TYR 659.A OH THR 616.A O no hydrogen 2.940 N/A THR 660.A N GLU 664.A O no hydrogen 2.805 N/A GLY 663.A N THR 660.A O no hydrogen 3.136 N/A GLU 664.A N THR 660.A OG1 no hydrogen 3.114 N/A MET 666.A N ARG 658.A O no hydrogen 2.655 N/A LEU 669.A N PHE 656.A O no hydrogen 2.709 N/A VAL 671.A N ALA 654.A O no hydrogen 2.787 N/A THR 673.A OG1 THR 676.A OG1 no hydrogen 2.997 N/A THR 676.A OG1 THR 673.A OG1 no hydrogen 2.997 N/A GLN 677.A N THR 673.A O no hydrogen 3.262 N/A GLN 678.A N ASP 674.A O no hydrogen 2.940 N/A GLN 678.A N ALA 675.A O no hydrogen 3.252 N/A GLN 678.A NE2 ARG 647.A O no hydrogen 3.267 N/A GLN 678.A NE2 ASP 674.A OD1 no hydrogen 2.762 N/A GLN 679.A N ALA 675.A O no hydrogen 2.959 N/A LEU 680.A N GLN 677.A O no hydrogen 3.379 N/A ALA 681.A N GLN 677.A O no hydrogen 3.081 N/A ALA 681.A N GLN 678.A O no hydrogen 2.831 N/A GLN 682.A N GLN 678.A O no hydrogen 3.206 N/A THR 688.A N VAL 685.A O no hydrogen 3.332 N/A ASN 690.A N THR 688.A O no hydrogen 2.759 N/A SER 693.A OG ASN 690.A O no hydrogen 3.456 N/A SER 698.A N THR 717.A O no hydrogen 3.192 N/A SER 698.A OG VAL 696.A O no hydrogen 2.768 N/A VAL 699.A N TYR 659.A O no hydrogen 2.669 N/A ALA 700.A N ASP 716.A OD2 no hydrogen 3.168 N/A LEU 701.A N LEU 657.A O no hydrogen 2.782 N/A LEU 702.A N ILE 710.A O no hydrogen 2.952 N/A LEU 703.A N VAL 655.A O no hydrogen 2.639 N/A PHE 704.A N THR 708.A O no hydrogen 2.923 N/A GLY 707.A N PHE 704.A O no hydrogen 3.254 N/A THR 708.A N ASN 706.A OD1 no hydrogen 3.376 N/A THR 708.A OG1 ASN 706.A OD1 no hydrogen 2.866 N/A VAL 709.A N TYR 613.A OH no hydrogen 3.335 N/A ILE 710.A N LEU 702.A O no hydrogen 3.105 N/A HIS 711.A N GLU 641.A O no hydrogen 2.977 N/A HIS 711.A NE2 ASP 716.A OD1 no hydrogen 3.071 N/A LEU 712.A N ALA 700.A O no hydrogen 2.866 N/A LEU 713.A N HIS 711.A O no hydrogen 2.706 N/A PHE 715.A N LEU 712.A O no hydrogen 2.665 N/A ASP 716.A N LEU 713.A O no hydrogen 3.271 N/A THR 717.A N SER 698.A O no hydrogen 3.258 N/A