Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6k33_aB.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 9.A N ASP 34.A OD2 no hydrogen 2.987 N/A ALA 12.A N SER 8.A O no hydrogen 3.026 N/A GLN 13.A NE2 GLN 9.A OE1 no hydrogen 2.762 N/A ASP 14.A N LEU 11.A O no hydrogen 3.308 N/A THR 16.A OG1 ASP 14.A OD1 no hydrogen 3.385 N/A THR 16.A OG1 ASP 14.A OD2 no hydrogen 3.138 N/A THR 17.A N LYS 702.A O no hydrogen 2.878 N/A THR 17.A OG1 THR 17.A O no hydrogen 2.453 N/A THR 17.A OG1 ASP 701.A OD2 no hydrogen 3.427 N/A ARG 18.A N THR 16.A OG1 no hydrogen 3.049 N/A TRP 21.A N ARG 18.A O no hydrogen 2.914 N/A TYR 22.A N ARG 18.A O no hydrogen 2.901 N/A ALA 23.A N ARG 19.A O no hydrogen 2.987 N/A ALA 25.A N TRP 21.A O no hydrogen 3.148 N/A MET 26.A N TYR 22.A O no hydrogen 2.881 N/A SER 32.A N ASP 29.A O no hydrogen 3.335 N/A SER 32.A OG ASP 29.A O no hydrogen 3.024 N/A SER 32.A OG ASP 29.A OD2 no hydrogen 2.328 N/A HIS 33.A NE2 MET 26.A O no hydrogen 3.250 N/A ASP 34.A N PHE 7.A O no hydrogen 3.125 N/A LEU 41.A N THR 37.A O no hydrogen 2.806 N/A TYR 42.A N GLU 38.A O no hydrogen 2.970 N/A GLN 43.A N GLU 39.A O no hydrogen 2.929 N/A GLN 43.A NE2 PRO 162.A O no hydrogen 3.012 N/A LYS 44.A N ASN 40.A O no hydrogen 3.203 N/A ILE 45.A N LEU 41.A O no hydrogen 2.963 N/A PHE 46.A N TYR 42.A O no hydrogen 3.056 N/A ALA 47.A N GLN 43.A O no hydrogen 2.937 N/A SER 48.A N LYS 44.A O no hydrogen 3.034 N/A SER 48.A OG LYS 44.A O no hydrogen 2.320 N/A HIS 49.A N ILE 45.A O no hydrogen 2.916 N/A PHE 50.A N PHE 46.A O no hydrogen 3.137 N/A GLY 51.A N ALA 47.A O no hydrogen 3.022 N/A HIS 52.A N SER 48.A O no hydrogen 2.927 N/A LEU 53.A N HIS 49.A O no hydrogen 3.109 N/A ALA 54.A N PHE 50.A O no hydrogen 2.908 N/A ILE 55.A N GLY 51.A O no hydrogen 3.042 N/A ILE 56.A N HIS 52.A O no hydrogen 3.028 N/A PHE 57.A N LEU 53.A O no hydrogen 3.168 N/A LEU 58.A N ALA 54.A O no hydrogen 2.918 N/A TRP 59.A N ILE 55.A O no hydrogen 2.925 N/A VAL 60.A N ILE 56.A O no hydrogen 3.022 N/A SER 61.A N PHE 57.A O no hydrogen 2.862 N/A SER 61.A OG ALA 138.A O no hydrogen 3.457 N/A GLY 62.A N LEU 58.A O no hydrogen 2.779 N/A SER 63.A N TRP 59.A O no hydrogen 3.137 N/A SER 63.A OG TRP 59.A O no hydrogen 2.650 N/A LEU 64.A N VAL 60.A O no hydrogen 2.938 N/A PHE 65.A N SER 61.A O no hydrogen 2.782 N/A HIS 66.A N GLY 62.A O no hydrogen 2.991 N/A HIS 66.A ND1 GLN 70.A OE1 no hydrogen 3.161 N/A VAL 67.A N SER 63.A O no hydrogen 3.193 N/A ALA 68.A N LEU 64.A O no hydrogen 2.935 N/A TRP 69.A N PHE 65.A O no hydrogen 2.865 N/A GLN 70.A N HIS 66.A O no hydrogen 2.831 N/A GLY 71.A N HIS 66.A O no hydrogen 3.264 N/A GLY 71.A N VAL 67.A O no hydrogen 3.090 N/A ASN 72.A N TYR 120.A OH no hydrogen 2.959 N/A ASN 72.A ND2 ARG 84.A O no hydrogen 2.621 N/A TRP 76.A N ASN 72.A O no hydrogen 2.761 N/A VAL 77.A N PHE 73.A O no hydrogen 2.970 N/A GLN 78.A NE2 GLU 74.A O no hydrogen 2.962 N/A ASP 79.A N TRP 76.A O no hydrogen 3.282 N/A ASN 82.A N ASP 79.A O no hydrogen 3.345 N/A ASN 82.A ND2 ASP 79.A OD2 no hydrogen 3.204 N/A THR 83.A OG1 ASP 79.A O no hydrogen 2.887 N/A ARG 84.A NH1 ASP 367.A OD1 no hydrogen 3.454 N/A ILE 86.A N TYR 120.A OH no hydrogen 3.338 N/A ALA 87.A N ASP 113.A O no hydrogen 2.440 N/A ILE 90.A N PRO 111.A O no hydrogen 2.594 N/A GLN 94.A N ASP 92.A OD1 no hydrogen 3.276 N/A PHE 95.A N ASP 92.A O no hydrogen 3.305 N/A VAL 100.A N GLY 96.A O no hydrogen 3.050 N/A ALA 102.A N ALA 98.A O no hydrogen 2.945 N/A THR 104.A N VAL 100.A O no hydrogen 3.099 N/A THR 104.A OG1 VAL 100.A O no hydrogen 2.890 N/A GLN 105.A NE2 VAL 112.A O no hydrogen 2.576 N/A ALA 108.A N GLN 105.A O no hydrogen 3.204 N/A ASN 110.A ND2 PRO 111.A O no hydrogen 3.335 N/A VAL 112.A N PHE 103.A O no hydrogen 2.959 N/A ASP 113.A N HIS 88.A O no hydrogen 3.127 N/A ALA 115.A N PRO 85.A O no hydrogen 3.358 N/A TYR 120.A OH ASN 72.A OD1 no hydrogen 2.826 N/A TYR 120.A OH ILE 86.A O no hydrogen 3.198 N/A HIS 121.A N GLY 118.A O no hydrogen 2.879 N/A TRP 122.A N GLY 118.A O no hydrogen 3.060 N/A TRP 123.A N VAL 119.A O no hydrogen 2.994 N/A TYR 124.A N TYR 120.A O no hydrogen 3.050 N/A THR 125.A N HIS 121.A O no hydrogen 3.159 N/A THR 125.A OG1 HIS 121.A O no hydrogen 2.571 N/A ILE 126.A N TRP 122.A O no hydrogen 3.164 N/A GLY 127.A N TYR 124.A O no hydrogen 3.445 N/A MET 128.A N TRP 123.A O no hydrogen 2.976 N/A ARG 129.A N ASP 133.A OD2 no hydrogen 2.693 N/A ARG 129.A NH1 TYR 124.A O no hydrogen 2.574 N/A ARG 129.A NH1 MET 128.A O no hydrogen 2.943 N/A ARG 129.A NH2 TYR 124.A O no hydrogen 3.140 N/A THR 130.A N ASP 133.A OD2 no hydrogen 3.007 N/A THR 130.A OG1 ASP 133.A OD1 no hydrogen 2.273 N/A ASN 131.A N GLU 74.A OE2 no hydrogen 2.512 N/A ASP 133.A N THR 130.A O no hydrogen 3.328 N/A TYR 135.A N ASN 131.A O no hydrogen 2.834 N/A GLN 136.A N GLY 132.A O no hydrogen 2.891 N/A GLY 137.A N ASP 133.A O no hydrogen 3.171 N/A ALA 138.A N LEU 134.A O no hydrogen 3.006 N/A ILE 139.A N TYR 135.A O no hydrogen 2.994 N/A PHE 140.A N GLN 136.A O no hydrogen 2.833 N/A LEU 141.A N GLY 137.A O no hydrogen 2.962 N/A LEU 142.A N ALA 138.A O no hydrogen 2.961 N/A ILE 143.A N ILE 139.A O no hydrogen 2.905 N/A LEU 144.A N PHE 140.A O no hydrogen 2.697 N/A ALA 145.A N LEU 141.A O no hydrogen 2.844 N/A SER 146.A N LEU 142.A O no hydrogen 3.000 N/A SER 146.A OG LEU 142.A O no hydrogen 2.296 N/A SER 146.A OG ILE 143.A O no hydrogen 3.541 N/A LEU 147.A N ILE 143.A O no hydrogen 2.881 N/A ALA 148.A N LEU 144.A O no hydrogen 3.041 N/A LEU 149.A N ALA 145.A O no hydrogen 2.862 N/A PHE 150.A N SER 146.A O no hydrogen 2.938 N/A ALA 151.A N LEU 147.A O no hydrogen 2.907 N/A GLY 152.A N ALA 148.A O no hydrogen 3.111 N/A TRP 153.A N LEU 149.A O no hydrogen 3.098 N/A LEU 154.A N PHE 150.A O no hydrogen 2.589 N/A HIS 155.A N ALA 151.A O no hydrogen 2.880 N/A GLN 157.A N LEU 154.A O no hydrogen 2.820 N/A GLN 157.A NE2 TRP 153.A O no hydrogen 2.612 N/A PHE 160.A N GLN 157.A O no hydrogen 2.916 N/A SER 163.A OG SER 165.A OG no hydrogen 2.863 N/A SER 165.A N SER 163.A OG no hydrogen 2.923 N/A SER 165.A OG SER 163.A OG no hydrogen 2.863 N/A LYS 168.A N LEU 164.A O no hydrogen 2.886 N/A LYS 168.A NZ TYR 42.A OH no hydrogen 3.450 N/A LYS 168.A NZ ASN 330.A O no hydrogen 2.941 N/A LYS 168.A NZ ASN 331.A OD1 no hydrogen 3.176 N/A SER 172.A N ASN 169.A OD1 no hydrogen 3.234 N/A ARG 173.A N ASN 169.A O no hydrogen 3.337 N/A ARG 173.A NH1 PHE 167.A O no hydrogen 2.681 N/A LEU 174.A N ALA 170.A O no hydrogen 2.808 N/A ASN 175.A N GLU 171.A O no hydrogen 2.928 N/A ASN 175.A ND2 TYR 290.A O no hydrogen 2.395 N/A HIS 176.A N SER 172.A O no hydrogen 2.990 N/A HIS 176.A ND1 SER 172.A O no hydrogen 3.118 N/A HIS 177.A N ARG 173.A O no hydrogen 2.757 N/A LEU 178.A N LEU 174.A O no hydrogen 3.045 N/A ALA 179.A N ASN 175.A O no hydrogen 2.954 N/A GLY 180.A N HIS 176.A O no hydrogen 2.711 N/A LEU 181.A N HIS 176.A O no hydrogen 3.094 N/A PHE 182.A N HIS 177.A O no hydrogen 2.757 N/A GLY 183.A N LEU 178.A O no hydrogen 3.057 N/A VAL 184.A N GLY 180.A O no hydrogen 2.911 N/A SER 185.A N GLY 180.A O no hydrogen 3.379 N/A SER 185.A OG LEU 181.A O no hydrogen 2.211 N/A SER 185.A OG PHE 182.A O no hydrogen 3.158 N/A SER 186.A N PHE 182.A O no hydrogen 3.099 N/A SER 186.A OG HIS 276.A O no hydrogen 2.832 N/A LEU 187.A N GLY 183.A O no hydrogen 2.896 N/A ALA 188.A N VAL 184.A O no hydrogen 2.690 N/A TRP 189.A N SER 185.A O no hydrogen 2.768 N/A ALA 190.A N SER 186.A O no hydrogen 2.943 N/A GLY 191.A N LEU 187.A O no hydrogen 2.795 N/A HIS 192.A N ALA 188.A O no hydrogen 2.898 N/A LEU 193.A N TRP 189.A O no hydrogen 3.028 N/A ILE 194.A N ALA 190.A O no hydrogen 3.088 N/A HIS 195.A N GLY 191.A O no hydrogen 2.860 N/A VAL 196.A N HIS 192.A O no hydrogen 2.859 N/A ALA 197.A N HIS 192.A O no hydrogen 3.202 N/A ILE 198.A N LEU 193.A O no hydrogen 2.873 N/A GLU 200.A N VAL 196.A O no hydrogen 2.776 N/A SER 201.A N ALA 197.A O no hydrogen 2.749 N/A SER 201.A OG ILE 198.A O no hydrogen 2.627 N/A ARG 202.A N ILE 198.A O no hydrogen 3.022 N/A ARG 202.A N PRO 199.A O no hydrogen 2.902 N/A ARG 202.A NE ASP 237.A OD1 no hydrogen 2.991 N/A ARG 202.A NH1 ALA 252.A O no hydrogen 2.740 N/A ARG 202.A NH2 ASP 237.A OD1 no hydrogen 2.816 N/A ARG 202.A NH2 ALA 252.A O no hydrogen 2.799 N/A GLY 203.A N GLU 200.A O no hydrogen 3.216 N/A GLN 204.A N PRO 199.A O no hydrogen 3.026 N/A VAL 206.A N GLU 200.A OE2 no hydrogen 3.406 N/A GLY 207.A N ASN 210.A OD1 no hydrogen 2.765 N/A ASP 209.A N ASP 209.A OD1 no hydrogen 2.337 N/A ASN 210.A ND2 HIS 205.A O no hydrogen 2.945 N/A SER 213.A OG SER 213.A O no hydrogen 2.287 N/A THR 214.A OG1 ASN 210.A O no hydrogen 2.559 N/A HIS 217.A NE2 VAL 231.A O no hydrogen 2.846 N/A LEU 221.A N TYR 232.A OH no hydrogen 3.242 N/A PHE 225.A N ALA 222.A O no hydrogen 3.209 N/A THR 226.A N ALA 222.A O no hydrogen 3.008 N/A THR 226.A OG1 ALA 222.A O no hydrogen 3.271 N/A THR 226.A OG1 PRO 223.A O no hydrogen 3.453 N/A THR 226.A OG1 ASN 228.A OD1 no hydrogen 2.261 N/A GLY 227.A N PRO 223.A O no hydrogen 3.006 N/A ASN 228.A N ASN 228.A OD1 no hydrogen 2.472 N/A TRP 229.A NE1 PHE 224.A O no hydrogen 3.192 N/A VAL 231.A N ASN 228.A O no hydrogen 3.451 N/A TYR 232.A N TRP 229.A O no hydrogen 2.835 N/A GLN 234.A N GLY 230.A O no hydrogen 3.044 N/A ALA 239.A N THR 238.A OG1 no hydrogen 2.777 N/A HIS 241.A N THR 238.A O no hydrogen 3.248 N/A HIS 241.A NE2 SER 201.A O no hydrogen 3.160 N/A VAL 242.A N GLN 247.A O no hydrogen 3.320 N/A PHE 243.A N GLN 263.A OE1 no hydrogen 3.181 N/A GLY 244.A N SER 201.A O no hydrogen 2.648 N/A THR 245.A N VAL 242.A O no hydrogen 2.957 N/A ALA 249.A N ALA 246.A O no hydrogen 3.195 N/A GLY 250.A N ASP 237.A OD1 no hydrogen 2.935 N/A THR 251.A N ASN 235.A O no hydrogen 2.937 N/A THR 251.A OG1 ASN 235.A O no hydrogen 2.975 N/A ILE 253.A N TYR 232.A O no hydrogen 3.050 N/A THR 255.A OG1 THR 270.A OG1 no hydrogen 2.378 N/A THR 255.A OG1 ASP 271.A OD1 no hydrogen 2.344 N/A GLY 258.A N ASP 271.A OD2 no hydrogen 2.877 N/A HIS 261.A N SER 266.A O no hydrogen 2.688 N/A GLU 265.A N HIS 261.A O no hydrogen 2.789 N/A SER 266.A N THR 264.A OG1 no hydrogen 3.238 N/A SER 266.A OG LEU 267.A O no hydrogen 3.346 N/A SER 266.A OG PRO 359.A O no hydrogen 2.913 N/A LEU 267.A N PRO 359.A O no hydrogen 2.914 N/A THR 270.A OG1 THR 255.A OG1 no hydrogen 2.378 N/A THR 270.A OG1 ASP 271.A OD1 no hydrogen 2.872 N/A MET 272.A N TRP 268.A O no hydrogen 2.989 N/A ALA 273.A N LEU 269.A O no hydrogen 2.870 N/A HIS 274.A N THR 270.A O no hydrogen 3.004 N/A HIS 274.A ND1 THR 255.A O no hydrogen 3.137 N/A HIS 275.A N ASP 271.A O no hydrogen 2.714 N/A HIS 276.A N MET 272.A O no hydrogen 3.057 N/A HIS 276.A ND1 MET 272.A O no hydrogen 2.824 N/A LEU 277.A N ALA 273.A O no hydrogen 2.895 N/A ALA 278.A N HIS 274.A O no hydrogen 3.061 N/A ILE 279.A N HIS 275.A O no hydrogen 3.014 N/A ALA 280.A N HIS 276.A O no hydrogen 3.061 N/A VAL 281.A N LEU 277.A O no hydrogen 3.086 N/A LEU 282.A N ALA 278.A O no hydrogen 3.106 N/A PHE 283.A N ILE 279.A O no hydrogen 3.004 N/A ILE 284.A N ALA 280.A O no hydrogen 2.962 N/A VAL 285.A N VAL 281.A O no hydrogen 3.002 N/A ALA 286.A N LEU 282.A O no hydrogen 2.810 N/A GLY 287.A N PHE 283.A O no hydrogen 2.722 N/A HIS 288.A N VAL 285.A O no hydrogen 3.146 N/A HIS 288.A ND1 ILE 284.A O no hydrogen 2.646 N/A TYR 290.A N ASN 175.A OD1 no hydrogen 3.000 N/A ARG 291.A N HIS 298.A O no hydrogen 2.696 N/A ARG 291.A NE GLY 297.A O no hydrogen 3.576 N/A ILE 296.A N PHE 294.A O no hydrogen 2.699 N/A HIS 298.A N MET 289.A O no hydrogen 2.701 N/A ILE 300.A N GLU 171.A OE2 no hydrogen 3.040 N/A LYS 301.A NZ ASP 305.A OD2 no hydrogen 2.415 N/A MET 303.A N SER 299.A O no hydrogen 2.813 N/A MET 304.A N ILE 300.A O no hydrogen 3.090 N/A LYS 307.A NZ GLU 315.A O no hydrogen 2.401 N/A LYS 307.A NZ GLN 323.A OE1 no hydrogen 3.413 N/A PHE 309.A N THR 312.A O no hydrogen 2.785 N/A THR 312.A N PHE 309.A O no hydrogen 3.195 N/A THR 312.A OG1 PHE 309.A O no hydrogen 2.734 N/A LYS 313.A NZ LYS 307.A O no hydrogen 3.081 N/A LYS 313.A NZ ASP 308.A OD1 no hydrogen 2.684 N/A VAL 314.A N LYS 307.A O no hydrogen 3.207 N/A GLU 315.A N ASN 319.A OD1 no hydrogen 2.676 N/A ASN 319.A N GLY 316.A O no hydrogen 2.950 N/A MET 320.A N PRO 317.A O no hydrogen 2.999 N/A HIS 322.A ND1 MET 320.A O no hydrogen 2.833 N/A GLN 323.A N GLN 323.A OE1 no hydrogen 2.655 N/A GLN 323.A NE2 LYS 407.A O no hydrogen 3.662 N/A ILE 325.A N HIS 322.A O no hydrogen 3.357 N/A TYR 326.A OH GLU 171.A OE1 no hydrogen 3.348 N/A ASN 330.A N TYR 326.A O no hydrogen 2.910 N/A ASN 330.A ND2 LYS 168.A O no hydrogen 3.279 N/A SER 332.A N THR 328.A O no hydrogen 3.048 N/A SER 332.A OG ASP 400.A OD2 no hydrogen 2.929 N/A HIS 334.A ND1 HIS 392.A ND1 no hydrogen 3.148 N/A PHE 335.A N SER 332.A OG no hydrogen 2.812 N/A GLN 336.A N SER 332.A O no hydrogen 3.317 N/A GLN 336.A NE2 TYR 329.A O no hydrogen 2.785 N/A LEU 337.A N LEU 333.A O no hydrogen 2.958 N/A GLY 338.A N HIS 334.A O no hydrogen 2.875 N/A TRP 339.A N PHE 335.A O no hydrogen 2.964 N/A HIS 340.A N GLN 336.A O no hydrogen 2.690 N/A LEU 341.A N LEU 337.A O no hydrogen 3.002 N/A ALA 342.A N GLY 338.A O no hydrogen 3.168 N/A CYS 343.A N TRP 339.A O no hydrogen 3.091 N/A CYS 343.A SG TRP 339.A O no hydrogen 3.269 N/A LEU 344.A N HIS 340.A O no hydrogen 2.790 N/A GLY 345.A N LEU 341.A O no hydrogen 2.684 N/A VAL 346.A N ALA 342.A O no hydrogen 3.002 N/A ILE 347.A N CYS 343.A O no hydrogen 3.120 N/A THR 348.A N LEU 344.A O no hydrogen 2.999 N/A THR 348.A OG1 LEU 344.A O no hydrogen 2.312 N/A SER 349.A N GLY 345.A O no hydrogen 3.181 N/A SER 349.A OG GLY 345.A O no hydrogen 2.852 N/A LEU 350.A N VAL 346.A O no hydrogen 2.910 N/A VAL 351.A N ILE 347.A O no hydrogen 2.616 N/A ALA 352.A N THR 348.A O no hydrogen 3.108 N/A GLN 353.A N SER 349.A O no hydrogen 2.808 N/A HIS 354.A N LEU 350.A O no hydrogen 2.884 N/A MET 355.A N VAL 351.A O no hydrogen 3.009 N/A SER 357.A OG GLN 353.A O no hydrogen 2.883 N/A SER 357.A OG HIS 354.A O no hydrogen 3.209 N/A LEU 358.A N HIS 354.A O no hydrogen 2.916 N/A ALA 362.A N THR 125.A OG1 no hydrogen 2.812 N/A PHE 363.A N THR 264.A O no hydrogen 3.242 N/A ILE 364.A N TYR 361.A O no hydrogen 3.473 N/A GLN 366.A N PHE 363.A O no hydrogen 3.081 N/A GLN 366.A NE2 GLU 265.A OE1 no hydrogen 3.051 N/A THR 370.A OG1 ASP 367.A O no hydrogen 2.755 N/A MET 371.A N ASP 367.A O no hydrogen 3.319 N/A ALA 372.A N HIS 368.A O no hydrogen 3.038 N/A ALA 373.A N THR 369.A O no hydrogen 2.921 N/A LEU 374.A N THR 370.A O no hydrogen 2.805 N/A TYR 375.A N MET 371.A O no hydrogen 3.070 N/A TYR 375.A OH GLN 353.A OE1 no hydrogen 3.424 N/A THR 376.A N ALA 372.A O no hydrogen 3.226 N/A THR 376.A OG1 ALA 372.A O no hydrogen 2.502 N/A HIS 377.A N ALA 373.A O no hydrogen 2.809 N/A HIS 378.A N LEU 374.A O no hydrogen 3.163 N/A GLN 379.A N TYR 375.A O no hydrogen 2.941 N/A GLN 379.A NE2 TYR 375.A OH no hydrogen 2.597 N/A TYR 380.A N THR 376.A O no hydrogen 3.129 N/A ILE 381.A N HIS 377.A O no hydrogen 3.011 N/A ALA 382.A N HIS 378.A O no hydrogen 2.966 N/A GLY 383.A N GLN 379.A O no hydrogen 2.987 N/A PHE 384.A N TYR 380.A O no hydrogen 3.001 N/A LEU 385.A N ILE 381.A O no hydrogen 2.966 N/A MET 386.A N ALA 382.A O no hydrogen 3.010 N/A VAL 387.A N GLY 383.A O no hydrogen 3.228 N/A GLY 388.A N PHE 384.A O no hydrogen 3.113 N/A ALA 389.A N LEU 385.A O no hydrogen 2.920 N/A PHE 390.A N MET 386.A O no hydrogen 3.293 N/A ALA 391.A N VAL 387.A O no hydrogen 2.874 N/A HIS 392.A N GLY 388.A O no hydrogen 2.988 N/A HIS 392.A ND1 HIS 334.A ND1 no hydrogen 3.148 N/A GLY 393.A N ALA 389.A O no hydrogen 2.989 N/A ALA 394.A N PHE 390.A O no hydrogen 2.950 N/A ILE 395.A N ALA 391.A O no hydrogen 2.845 N/A PHE 396.A N HIS 392.A O no hydrogen 2.933 N/A LEU 397.A N GLY 393.A O no hydrogen 3.155 N/A VAL 398.A N ALA 394.A O no hydrogen 3.247 N/A VAL 398.A N ILE 395.A O no hydrogen 3.183 N/A ARG 399.A N ILE 395.A O no hydrogen 2.973 N/A ASP 400.A N PHE 396.A O no hydrogen 2.988 N/A TYR 401.A N PHE 396.A O no hydrogen 2.526 N/A ALA 404.A N ASP 402.A OD1 no hydrogen 3.454 N/A GLY 408.A N ASP 412.A OD2 no hydrogen 3.308 N/A ASN 409.A ND2 GLN 323.A O no hydrogen 2.788 N/A VAL 410.A N PRO 321.A O no hydrogen 2.953 N/A ARG 413.A N ASN 409.A O no hydrogen 3.181 N/A ARG 413.A NH2 GLU 315.A OE1 no hydrogen 3.127 N/A VAL 414.A N VAL 410.A O no hydrogen 3.371 N/A LEU 415.A N LEU 411.A O no hydrogen 3.085 N/A GLN 416.A N ARG 413.A O no hydrogen 3.282 N/A GLN 416.A NE2 ASP 412.A O no hydrogen 2.340 N/A GLN 416.A NE2 ASP 412.A OD1 no hydrogen 2.973 N/A HIS 417.A N ARG 413.A O no hydrogen 3.100 N/A HIS 417.A ND1 ARG 413.A O no hydrogen 2.430 N/A LYS 418.A NZ LEU 545.A O no hydrogen 3.352 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.716 N/A ILE 421.A N HIS 417.A O no hydrogen 2.977 N/A ILE 422.A N LYS 418.A O no hydrogen 2.978 N/A SER 423.A N GLU 419.A O no hydrogen 2.912 N/A SER 423.A OG GLU 419.A O no hydrogen 2.901 N/A SER 423.A OG ALA 420.A O no hydrogen 3.235 N/A HIS 424.A N ALA 420.A O no hydrogen 3.108 N/A HIS 424.A ND1 ALA 420.A O no hydrogen 3.176 N/A LEU 425.A N ILE 421.A O no hydrogen 2.926 N/A SER 426.A N ILE 422.A O no hydrogen 2.596 N/A TRP 427.A N SER 423.A O no hydrogen 2.723 N/A VAL 428.A N HIS 424.A O no hydrogen 2.967 N/A SER 429.A N LEU 425.A O no hydrogen 3.268 N/A SER 429.A OG LEU 425.A O no hydrogen 2.304 N/A LEU 430.A N SER 426.A O no hydrogen 3.129 N/A PHE 431.A N TRP 427.A O no hydrogen 2.739 N/A LEU 432.A N VAL 428.A O no hydrogen 2.758 N/A GLY 433.A N SER 429.A O no hydrogen 2.781 N/A PHE 434.A N LEU 430.A O no hydrogen 2.977 N/A HIS 435.A ND1 PHE 431.A O no hydrogen 3.026 N/A THR 436.A N LEU 432.A O no hydrogen 2.982 N/A THR 436.A OG1 LEU 432.A O no hydrogen 2.264 N/A LEU 437.A N GLY 433.A O no hydrogen 2.916 N/A GLY 438.A N PHE 434.A O no hydrogen 2.748 N/A LEU 439.A N HIS 435.A O no hydrogen 2.802 N/A TYR 440.A N THR 436.A O no hydrogen 3.080 N/A TYR 440.A OH SER 619.A O no hydrogen 2.991 N/A VAL 441.A N LEU 437.A O no hydrogen 2.725 N/A HIS 442.A N GLY 438.A O no hydrogen 2.806 N/A HIS 442.A NE2 LYS 454.A O no hydrogen 2.976 N/A ASN 443.A N LEU 439.A O no hydrogen 3.009 N/A ASP 444.A N TYR 440.A O no hydrogen 2.944 N/A VAL 445.A N VAL 441.A O no hydrogen 2.885 N/A VAL 446.A N HIS 442.A O no hydrogen 2.925 N/A VAL 447.A N ASN 443.A O no hydrogen 3.094 N/A ALA 448.A N ASP 444.A O no hydrogen 2.917 N/A PHE 449.A N VAL 445.A O no hydrogen 3.082 N/A THR 451.A N VAL 446.A O no hydrogen 3.317 N/A THR 451.A OG1 VAL 446.A O no hydrogen 2.587 N/A THR 451.A OG1 THR 451.A O no hydrogen 2.566 N/A GLN 455.A NE2 THR 620.A OG1 no hydrogen 3.043 N/A ILE 456.A N ASN 443.A OD1 no hydrogen 3.025 N/A VAL 461.A N GLU 459.A O no hydrogen 2.857 N/A ALA 463.A N PRO 460.A O no hydrogen 3.140 N/A GLN 464.A N PRO 460.A O no hydrogen 2.959 N/A GLN 464.A NE2 GLU 459.A OE1 no hydrogen 2.551 N/A GLN 464.A NE2 ILE 518.A O no hydrogen 3.615 N/A PHE 465.A N VAL 461.A O no hydrogen 3.019 N/A GLN 467.A N ALA 463.A O no hydrogen 3.099 N/A GLN 467.A NE2 LEU 516.A O no hydrogen 2.811 N/A ALA 468.A N GLN 464.A O no hydrogen 3.035 N/A ALA 469.A N PHE 465.A O no hydrogen 2.587 N/A HIS 470.A N GLN 467.A O no hydrogen 3.346 N/A GLY 471.A N ALA 468.A O no hydrogen 2.895 N/A LYS 472.A N GLN 467.A O no hydrogen 2.712 N/A LYS 472.A NZ GLN 467.A OE1 no hydrogen 3.187 N/A LYS 472.A NZ PHE 515.A O no hydrogen 2.426 N/A LEU 473.A N ASN 508.A OD1 no hydrogen 3.131 N/A TYR 475.A OH GLN 467.A OE1 no hydrogen 2.688 N/A GLY 476.A N LEU 473.A O no hydrogen 3.257 N/A SER 482.A N THR 479.A O no hydrogen 3.397 N/A SER 482.A OG LYS 472.A O no hydrogen 3.504 N/A ASN 483.A N ASN 483.A OD1 no hydrogen 2.566 N/A SER 486.A OG ASN 483.A O no hydrogen 3.408 N/A SER 486.A OG ASN 483.A OD1 no hydrogen 3.089 N/A SER 489.A OG ASN 483.A O no hydrogen 3.431 N/A THR 490.A N SER 486.A O no hydrogen 2.879 N/A THR 490.A OG1 SER 486.A O no hydrogen 2.402 N/A ALA 491.A N ILE 487.A O no hydrogen 2.845 N/A ASN 494.A N ALA 491.A O no hydrogen 3.042 N/A TYR 495.A N ALA 491.A O no hydrogen 2.587 N/A ASN 497.A ND2 ALA 488.A O no hydrogen 3.021 N/A ASN 497.A ND2 SER 489.A O no hydrogen 3.693 N/A GLY 502.A N TRP 499.A O no hydrogen 3.260 N/A TRP 503.A N TRP 499.A O no hydrogen 3.013 N/A TRP 503.A NE1 HIS 470.A O no hydrogen 2.808 N/A LEU 504.A N LEU 500.A O no hydrogen 2.871 N/A ALA 506.A N GLY 502.A O no hydrogen 2.932 N/A ILE 507.A N TRP 503.A O no hydrogen 2.871 N/A ASN 508.A N LEU 504.A O no hydrogen 2.863 N/A ASN 508.A ND2 GLY 471.A O no hydrogen 2.850 N/A ASN 508.A ND2 LEU 504.A O no hydrogen 3.140 N/A SER 509.A N ASP 505.A O no hydrogen 2.988 N/A SER 509.A OG ASP 505.A O no hydrogen 2.780 N/A ASN 512.A ND2 ALA 506.A O no hydrogen 2.461 N/A SER 513.A OG HIS 604.A NE2 no hydrogen 3.045 N/A ILE 518.A N TYR 475.A OH no hydrogen 3.398 N/A PHE 523.A N PRO 520.A O no hydrogen 3.075 N/A LEU 524.A N PRO 520.A O no hydrogen 3.067 N/A HIS 526.A ND1 ASP 522.A O no hydrogen 3.121 N/A HIS 527.A N PHE 523.A O no hydrogen 3.388 N/A HIS 527.A ND1 PHE 523.A O no hydrogen 3.143 N/A ALA 528.A N LEU 524.A O no hydrogen 2.896 N/A ILE 529.A N VAL 525.A O no hydrogen 2.691 N/A ALA 530.A N HIS 526.A O no hydrogen 2.777 N/A LEU 531.A N HIS 527.A O no hydrogen 2.932 N/A GLY 532.A N ALA 528.A O no hydrogen 2.964 N/A LEU 533.A N ILE 529.A O no hydrogen 2.860 N/A HIS 534.A N ALA 530.A O no hydrogen 3.053 N/A HIS 534.A ND1 ALA 530.A O no hydrogen 2.976 N/A THR 535.A N LEU 531.A O no hydrogen 2.920 N/A THR 535.A OG1 LEU 531.A O no hydrogen 2.212 N/A THR 536.A N GLY 532.A O no hydrogen 2.992 N/A THR 536.A OG1 GLY 532.A O no hydrogen 2.268 N/A THR 537.A N LEU 533.A O no hydrogen 3.021 N/A THR 537.A OG1 LEU 533.A O no hydrogen 2.318 N/A LEU 538.A N HIS 534.A O no hydrogen 2.958 N/A ILE 539.A N THR 535.A O no hydrogen 3.147 N/A LEU 540.A N THR 536.A O no hydrogen 3.204 N/A VAL 541.A N THR 537.A O no hydrogen 2.712 N/A LYS 542.A N LEU 538.A O no hydrogen 2.887 N/A GLY 543.A N ILE 539.A O no hydrogen 2.998 N/A ALA 544.A N LEU 540.A O no hydrogen 2.892 N/A LEU 545.A N VAL 541.A O no hydrogen 2.730 N/A ASP 546.A N LYS 542.A O no hydrogen 2.962 N/A ALA 547.A N ALA 544.A O no hydrogen 3.377 N/A ARG 548.A NE LEU 397.A O no hydrogen 2.567 N/A GLY 549.A N ASP 546.A O no hydrogen 3.265 N/A SER 550.A N MET 553.A O no hydrogen 2.827 N/A SER 550.A OG GLY 549.A O no hydrogen 2.738 N/A LYS 556.A NZ ASP 546.A O no hydrogen 3.134 N/A LYS 556.A NZ ILE 576.A O no hydrogen 2.646 N/A ASP 558.A N ASP 555.A O no hydrogen 2.963 N/A ASP 566.A N THR 573.A OG1 no hydrogen 2.836 N/A ARG 570.A NE LEU 552.A O no hydrogen 3.048 N/A ARG 570.A NH1 ASP 566.A OD2 no hydrogen 3.016 N/A ARG 570.A NH2 LEU 552.A O no hydrogen 2.834 N/A ARG 570.A NH2 ASP 566.A OD2 no hydrogen 2.939 N/A GLY 572.A N GLY 569.A O no hydrogen 3.115 N/A THR 573.A OG1 GLY 567.A O no hydrogen 2.697 N/A SER 577.A N ASP 580.A OD2 no hydrogen 3.119 N/A SER 577.A OG PHE 563.A O no hydrogen 3.109 N/A SER 577.A OG ASP 580.A OD2 no hydrogen 2.313 N/A TRP 579.A N TYR 561.A O no hydrogen 3.111 N/A ASP 580.A N SER 577.A O no hydrogen 3.005 N/A ALA 581.A N SER 577.A O no hydrogen 3.265 N/A PHE 582.A N ALA 578.A O no hydrogen 3.104 N/A TYR 583.A N TRP 579.A O no hydrogen 2.970 N/A LEU 584.A N ASP 580.A O no hydrogen 2.825 N/A ALA 585.A N ALA 581.A O no hydrogen 3.054 N/A MET 586.A N PHE 582.A O no hydrogen 3.021 N/A MET 589.A N ALA 585.A O no hydrogen 2.731 N/A LEU 590.A N MET 586.A O no hydrogen 3.081 N/A ASN 591.A N PHE 587.A O no hydrogen 3.006 N/A THR 592.A N TRP 588.A O no hydrogen 3.038 N/A THR 592.A OG1 TRP 588.A O no hydrogen 2.460 N/A ILE 593.A N MET 589.A O no hydrogen 2.950 N/A GLY 594.A N LEU 590.A O no hydrogen 2.908 N/A TRP 595.A N ASN 591.A O no hydrogen 2.936 N/A VAL 596.A N THR 592.A O no hydrogen 2.876 N/A THR 597.A N ILE 593.A O no hydrogen 2.867 N/A THR 597.A OG1 ILE 593.A O no hydrogen 2.396 N/A THR 597.A OG1 GLY 594.A O no hydrogen 3.303 N/A PHE 598.A N GLY 594.A O no hydrogen 2.929 N/A TYR 599.A N TRP 595.A O no hydrogen 3.121 N/A TYR 599.A OH ASP 522.A OD1 no hydrogen 2.552 N/A TRP 600.A N VAL 596.A O no hydrogen 2.824 N/A HIS 601.A N THR 597.A O no hydrogen 2.919 N/A HIS 601.A ND1 TYR 629.A OH no hydrogen 2.796 N/A TRP 602.A N PHE 598.A O no hydrogen 2.882 N/A LYS 603.A N TYR 599.A O no hydrogen 3.026 N/A LYS 603.A NZ THR 517.A O no hydrogen 3.292 N/A LYS 603.A NZ ASP 522.A OD1 no hydrogen 3.509 N/A HIS 604.A N TRP 600.A O no hydrogen 2.953 N/A HIS 604.A ND1 TRP 600.A O no hydrogen 2.969 N/A HIS 604.A NE2 SER 513.A OG no hydrogen 3.045 N/A LEU 605.A N HIS 601.A O no hydrogen 2.792 N/A GLY 606.A N TRP 602.A O no hydrogen 3.252 N/A VAL 607.A N LYS 603.A O no hydrogen 2.981 N/A TRP 608.A N HIS 604.A O no hydrogen 2.783 N/A GLU 609.A N LEU 605.A O no hydrogen 3.137 N/A GLY 610.A N VAL 607.A O no hydrogen 2.968 N/A ASN 616.A N VAL 612.A O no hydrogen 3.034 N/A GLU 617.A N ALA 613.A O no hydrogen 3.003 N/A SER 618.A N GLN 614.A O no hydrogen 3.202 N/A SER 618.A N PHE 615.A O no hydrogen 3.205 N/A SER 618.A OG GLN 614.A O no hydrogen 3.158 N/A SER 619.A N PHE 615.A O no hydrogen 2.742 N/A SER 619.A OG GLY 521.A O no hydrogen 3.477 N/A GLY 624.A N TYR 621.A O no hydrogen 2.900 N/A LEU 626.A N LEU 622.A O no hydrogen 3.097 N/A ARG 627.A N MET 623.A O no hydrogen 2.717 N/A ARG 627.A NH2 TYR 621.A OH no hydrogen 3.087 N/A ASP 628.A N GLY 624.A O no hydrogen 2.929 N/A TYR 629.A OH HIS 601.A ND1 no hydrogen 2.796 N/A LEU 630.A N TRP 625.A O no hydrogen 3.193 N/A TRP 631.A N LEU 626.A O no hydrogen 2.963 N/A ASN 633.A N TYR 629.A O no hydrogen 3.361 N/A ASN 633.A ND2 TYR 629.A O no hydrogen 2.756 N/A SER 634.A N LEU 630.A O no hydrogen 3.135 N/A SER 634.A OG LEU 630.A O no hydrogen 2.566 N/A GLY 640.A N LEU 637.A O no hydrogen 3.164 N/A ASN 647.A N GLY 640.A O no hydrogen 3.315 N/A ASN 647.A N SER 650.A OG no hydrogen 3.354 N/A ASN 647.A ND2 ASN 639.A O no hydrogen 3.324 N/A ASN 648.A N ASN 648.A OD1 no hydrogen 2.406 N/A LEU 649.A N ASN 647.A OD1 no hydrogen 2.878 N/A SER 650.A OG GLY 640.A O no hydrogen 3.351 N/A SER 650.A OG ASN 647.A O no hydrogen 2.271 N/A ALA 653.A N LEU 649.A O no hydrogen 2.882 N/A TRP 654.A N SER 650.A O no hydrogen 2.923 N/A MET 655.A N VAL 651.A O no hydrogen 2.531 N/A PHE 656.A N TRP 652.A O no hydrogen 2.870 N/A LEU 657.A N ALA 653.A O no hydrogen 3.274 N/A PHE 658.A N TRP 654.A O no hydrogen 2.852 N/A GLY 659.A N MET 655.A O no hydrogen 2.783 N/A HIS 660.A N PHE 656.A O no hydrogen 2.986 N/A HIS 660.A ND1 PHE 656.A O no hydrogen 3.108 N/A LEU 661.A N LEU 657.A O no hydrogen 3.102 N/A LEU 661.A N PHE 658.A O no hydrogen 3.148 N/A VAL 662.A N PHE 658.A O no hydrogen 2.995 N/A TRP 663.A N GLY 659.A O no hydrogen 3.039 N/A ALA 664.A N HIS 660.A O no hydrogen 3.307 N/A THR 665.A N LEU 661.A O no hydrogen 2.865 N/A THR 665.A OG1 LEU 661.A O no hydrogen 2.277 N/A GLY 666.A N VAL 662.A O no hydrogen 2.994 N/A GLY 666.A N TRP 663.A O no hydrogen 2.835 N/A PHE 667.A N TRP 663.A O no hydrogen 3.325 N/A PHE 669.A N GLY 666.A O no hydrogen 2.909 N/A LEU 670.A N GLY 666.A O no hydrogen 3.149 N/A ILE 671.A N PHE 667.A O no hydrogen 2.826 N/A SER 672.A N MET 668.A O no hydrogen 3.151 N/A SER 672.A OG MET 668.A O no hydrogen 2.213 N/A TRP 673.A NE1 LEU 670.A O no hydrogen 2.862 N/A ARG 674.A NE ALA 705.A O no hydrogen 3.335 N/A ARG 674.A NH2 ALA 705.A O no hydrogen 3.431 N/A TYR 676.A N ARG 674.A O no hydrogen 2.469 N/A GLU 679.A N GLY 675.A O no hydrogen 2.916 N/A LEU 680.A N TYR 676.A O no hydrogen 2.992 N/A ILE 681.A N TRP 677.A O no hydrogen 2.769 N/A THR 683.A N LEU 680.A O no hydrogen 3.344 N/A THR 683.A OG1 LEU 680.A O no hydrogen 2.763 N/A LEU 684.A N LEU 680.A O no hydrogen 3.399 N/A VAL 685.A N ILE 681.A O no hydrogen 2.828 N/A TRP 686.A N GLU 682.A O no hydrogen 3.202 N/A ALA 687.A N THR 683.A O no hydrogen 2.852 N/A HIS 688.A N LEU 684.A O no hydrogen 3.046 N/A GLU 689.A N VAL 685.A O no hydrogen 3.122 N/A THR 691.A N HIS 688.A O no hydrogen 3.340 N/A THR 691.A OG1 ALA 687.A O no hydrogen 2.436 N/A ALA 694.A N THR 691.A O no hydrogen 3.301 N/A ASN 695.A ND2 GLU 689.A O no hydrogen 2.489 N/A ASP 701.A N ASP 701.A OD1 no hydrogen 2.430 N/A LYS 702.A N PRO 15.A O no hydrogen 3.128 N/A ALA 711.A N SER 707.A O no hydrogen 2.847 N/A ARG 712.A N ILE 708.A O no hydrogen 3.272 N/A ARG 712.A NH1 PRO 564.A O no hydrogen 3.172 N/A ARG 712.A NH2 PRO 564.A O no hydrogen 3.017 N/A LEU 713.A N VAL 709.A O no hydrogen 2.919 N/A VAL 714.A N GLN 710.A O no hydrogen 2.680 N/A GLY 715.A N ALA 711.A O no hydrogen 2.732 N/A LEU 716.A N ARG 712.A O no hydrogen 2.921 N/A ALA 717.A N LEU 713.A O no hydrogen 2.744 N/A HIS 718.A N VAL 714.A O no hydrogen 2.932 N/A HIS 718.A ND1 VAL 714.A O no hydrogen 2.977 N/A PHE 719.A N GLY 715.A O no hydrogen 2.891 N/A SER 720.A N LEU 716.A O no hydrogen 2.806 N/A SER 720.A OG LEU 716.A O no hydrogen 2.488 N/A VAL 721.A N ALA 717.A O no hydrogen 3.001 N/A GLY 722.A N HIS 718.A O no hydrogen 3.054 N/A TYR 723.A N PHE 719.A O no hydrogen 2.830 N/A ILE 724.A N SER 720.A O no hydrogen 2.848 N/A LEU 725.A N VAL 721.A O no hydrogen 2.904 N/A THR 726.A N GLY 722.A O no hydrogen 3.001 N/A THR 726.A OG1 GLY 722.A O no hydrogen 2.209 N/A TYR 727.A N TYR 723.A O no hydrogen 3.176 N/A TYR 727.A OH THR 597.A O no hydrogen 3.280 N/A TYR 727.A OH TYR 629.A OH no hydrogen 2.903 N/A ALA 728.A N ILE 724.A O no hydrogen 2.714 N/A ALA 729.A N LEU 725.A O no hydrogen 3.029 N/A PHE 730.A N THR 726.A O no hydrogen 2.979 N/A LEU 731.A N TYR 727.A O no hydrogen 2.720 N/A ILE 732.A N ALA 728.A O no hydrogen 3.008 N/A ALA 733.A N ALA 729.A O no hydrogen 3.115 N/A SER 734.A N PHE 730.A O no hydrogen 2.919 N/A SER 734.A OG PHE 730.A O no hydrogen 2.306 N/A SER 734.A OG LEU 731.A O no hydrogen 3.256 N/A THR 735.A N LEU 731.A O no hydrogen 3.207 N/A THR 735.A OG1 HIS 601.A NE2 no hydrogen 3.391 N/A THR 735.A OG1 LEU 731.A O no hydrogen 2.267 N/A ALA 736.A N ILE 732.A O no hydrogen 2.876 N/A ALA 737.A N ALA 733.A O no hydrogen 2.777 N/A LYS 738.A N SER 734.A O no hydrogen 3.089 N/A PHE 739.A N THR 735.A O no hydrogen 2.622 N/A