Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w9b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N SER 1.A OG no hydrogen 2.616 N/A GLU 4.A N THR 2.A OG1 no hydrogen 3.247 N/A GLN 6.A N ILE 3.A O no hydrogen 3.031 N/A LYS 8.A N GLU 4.A O no hydrogen 3.196 N/A THR 9.A N GLU 5.A O no hydrogen 2.911 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.599 N/A PHE 10.A N GLN 6.A O no hydrogen 2.670 N/A LEU 11.A N ALA 7.A O no hydrogen 2.837 N/A ASP 12.A N LYS 8.A O no hydrogen 3.226 N/A LYS 13.A N THR 9.A O no hydrogen 2.988 N/A LYS 13.A NZ GLU 17.A OE2 no hydrogen 2.575 N/A PHE 14.A N PHE 10.A O no hydrogen 2.964 N/A ASN 15.A N LEU 11.A O no hydrogen 2.590 N/A ASN 15.A ND2 GLN 78.A OE1 no hydrogen 3.193 N/A HIS 16.A N ASP 12.A O no hydrogen 3.129 N/A GLU 17.A N LYS 13.A O no hydrogen 3.067 N/A ALA 18.A N PHE 14.A O no hydrogen 2.592 N/A LEU 21.A N GLU 17.A O no hydrogen 3.402 N/A PHE 22.A N ALA 18.A O no hydrogen 2.999 N/A TYR 23.A N GLU 19.A O no hydrogen 3.125 N/A TYR 23.A OH GLU 19.A OE2 no hydrogen 3.218 N/A GLN 24.A N ASP 20.A O no hydrogen 3.116 N/A SER 25.A N LEU 21.A O no hydrogen 3.378 N/A SER 25.A OG PHE 22.A O no hydrogen 2.745 N/A SER 26.A N PHE 22.A O no hydrogen 2.820 N/A SER 26.A OG ASP 332.A O no hydrogen 2.913 N/A LEU 27.A N TYR 23.A O no hydrogen 2.605 N/A ALA 28.A N GLN 24.A O no hydrogen 3.021 N/A SER 29.A N SER 25.A O no hydrogen 3.099 N/A SER 29.A OG SER 25.A O no hydrogen 2.993 N/A SER 29.A OG SER 26.A O no hydrogen 2.450 N/A TRP 30.A N SER 26.A O no hydrogen 3.252 N/A ASN 31.A N LEU 27.A O no hydrogen 3.129 N/A TYR 32.A N ALA 28.A O no hydrogen 3.070 N/A ASN 33.A N SER 29.A O no hydrogen 2.980 N/A ASN 33.A ND2 SER 29.A O no hydrogen 2.614 N/A THR 34.A N TRP 30.A O no hydrogen 2.946 N/A THR 34.A OG1 TRP 30.A O no hydrogen 2.605 N/A THR 34.A OG1 ASN 31.A O no hydrogen 2.864 N/A ASN 35.A N ASN 31.A O no hydrogen 2.949 N/A ASN 35.A N TYR 32.A O no hydrogen 3.157 N/A ILE 36.A N LYS 323.A O no hydrogen 3.365 N/A THR 37.A OG1 ASN 35.A O no hydrogen 3.497 N/A ASN 40.A N THR 37.A OG1 no hydrogen 3.166 N/A ASN 40.A ND2 ASN 35.A O no hydrogen 2.920 N/A VAL 41.A N THR 37.A O no hydrogen 3.087 N/A ASN 43.A N GLU 39.A O no hydrogen 3.139 N/A MET 44.A N ASN 40.A O no hydrogen 2.815 N/A ASN 45.A N VAL 41.A O no hydrogen 3.160 N/A ASN 46.A N GLN 42.A O no hydrogen 2.723 N/A ALA 47.A N ASN 43.A O no hydrogen 2.872 N/A GLY 48.A N MET 44.A O no hydrogen 3.059 N/A ASP 49.A N ASN 45.A O no hydrogen 2.869 N/A LYS 50.A N ASN 46.A O no hydrogen 3.017 N/A LYS 50.A NZ GLN 24.A OE1 no hydrogen 2.895 N/A TRP 51.A N ALA 47.A O no hydrogen 3.147 N/A SER 52.A N GLY 48.A O no hydrogen 2.981 N/A SER 52.A OG GLY 48.A O no hydrogen 2.803 N/A ALA 53.A N ASP 49.A O no hydrogen 2.948 N/A PHE 54.A N LYS 50.A O no hydrogen 3.216 N/A LEU 55.A N TRP 51.A O no hydrogen 3.099 N/A LYS 56.A N SER 52.A O no hydrogen 3.218 N/A GLU 57.A N ALA 53.A O no hydrogen 3.217 N/A GLN 58.A N PHE 54.A O no hydrogen 3.145 N/A SER 59.A N LYS 56.A O no hydrogen 3.113 N/A SER 59.A OG LEU 55.A O no hydrogen 2.841 N/A SER 59.A OG LYS 56.A O no hydrogen 3.155 N/A SER 59.A OG LEU 82.A O no hydrogen 3.338 N/A THR 60.A N GLU 57.A O no hydrogen 3.432 N/A THR 60.A OG1 GLU 57.A O no hydrogen 3.098 N/A GLN 63.A NE2 GLN 83.A O no hydrogen 3.104 N/A MET 64.A N LEU 61.A O no hydrogen 3.156 N/A GLU 69.A N GLU 69.A OE2 no hydrogen 2.662 N/A THR 74.A N ASN 72.A OD1 no hydrogen 3.242 N/A THR 74.A OG1 ASN 72.A OD1 no hydrogen 3.480 N/A LYS 76.A N ASN 72.A O no hydrogen 3.192 N/A LEU 77.A N LEU 73.A O no hydrogen 3.060 N/A LEU 79.A N VAL 75.A O no hydrogen 3.352 N/A GLN 80.A N LYS 76.A O no hydrogen 3.108 N/A LEU 82.A N LEU 79.A O no hydrogen 3.137 N/A GLN 83.A N LEU 79.A O no hydrogen 2.800 N/A GLN 83.A NE2 ALA 62.A O no hydrogen 2.592 N/A GLN 83.A NE2 TYR 65.A O no hydrogen 3.224 N/A GLN 84.A N GLN 80.A O no hydrogen 3.429 N/A GLY 86.A N ASN 176.A OD1 no hydrogen 2.835 N/A SER 87.A OG SER 95.A OG no hydrogen 3.093 N/A SER 88.A N ASN 85.A O no hydrogen 3.474 N/A VAL 89.A N GLY 86.A O no hydrogen 3.384 N/A LYS 94.A NZ GLU 171.A OE1 no hydrogen 2.649 N/A SER 95.A N SER 91.A O no hydrogen 3.074 N/A SER 95.A OG SER 87.A O no hydrogen 2.867 N/A SER 95.A OG SER 87.A OG no hydrogen 3.093 N/A SER 95.A OG SER 91.A O no hydrogen 3.241 N/A LYS 96.A N GLU 92.A O no hydrogen 2.960 N/A ARG 97.A N ASP 93.A O no hydrogen 3.065 N/A ARG 97.A NE GLU 164.A OE1 no hydrogen 3.025 N/A ARG 97.A NH2 GLU 164.A OE1 no hydrogen 3.452 N/A LEU 98.A N LYS 94.A O no hydrogen 2.949 N/A ASN 99.A N SER 95.A O no hydrogen 3.199 N/A THR 100.A N LYS 96.A O no hydrogen 2.870 N/A THR 100.A OG1 LYS 96.A O no hydrogen 2.943 N/A ILE 101.A N ARG 97.A O no hydrogen 2.833 N/A LEU 102.A N LEU 98.A O no hydrogen 2.945 N/A ASN 103.A N ASN 99.A O no hydrogen 3.003 N/A THR 104.A N THR 100.A O no hydrogen 3.173 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.399 N/A THR 104.A OG1 ILE 101.A O no hydrogen 2.679 N/A MET 105.A N ILE 101.A O no hydrogen 2.869 N/A SER 106.A N LEU 102.A O no hydrogen 2.945 N/A SER 106.A OG ASN 103.A O no hydrogen 2.964 N/A THR 107.A N ASN 103.A O no hydrogen 3.142 N/A THR 107.A OG1 ASN 103.A O no hydrogen 3.131 N/A THR 107.A OG1 THR 104.A O no hydrogen 2.735 N/A ILE 108.A N THR 104.A O no hydrogen 3.063 N/A TYR 109.A N MET 105.A O no hydrogen 2.973 N/A SER 110.A N SER 106.A O no hydrogen 2.755 N/A SER 110.A OG SER 106.A O no hydrogen 2.958 N/A SER 110.A OG THR 107.A O no hydrogen 3.018 N/A THR 111.A N THR 107.A O no hydrogen 2.905 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.198 N/A GLY 112.A N TYR 109.A O no hydrogen 3.409 N/A VAL 114.A N LEU 124.A O no hydrogen 3.167 N/A CYS 115.A SG PRO 120.A O no hydrogen 3.980 N/A ASN 116.A N GLU 122.A O no hydrogen 3.169 N/A ASP 118.A N ASN 116.A OD1 no hydrogen 2.991 N/A ASN 119.A N ASN 116.A O no hydrogen 3.069 N/A GLU 122.A N ASN 119.A O no hydrogen 3.027 N/A CYS 123.A SG PRO 120.A O no hydrogen 3.114 N/A LEU 124.A N VAL 114.A O no hydrogen 3.141 N/A LEU 130.A N LEU 125.A O no hydrogen 2.767 N/A ASN 131.A N LEU 126.A O no hydrogen 3.282 N/A GLU 132.A N PRO 128.A O no hydrogen 3.292 N/A GLU 132.A N GLY 129.A O no hydrogen 3.142 N/A ILE 133.A N GLY 129.A O no hydrogen 3.249 N/A MET 134.A N LEU 130.A O no hydrogen 3.315 N/A ALA 135.A N ASN 131.A O no hydrogen 3.048 N/A ASN 136.A N GLU 132.A O no hydrogen 2.731 N/A SER 137.A N GLU 132.A O no hydrogen 3.132 N/A SER 137.A OG GLU 142.A OE1 no hydrogen 3.040 N/A ASP 139.A N SER 137.A OG no hydrogen 3.278 N/A ARG 143.A N ASP 139.A O no hydrogen 3.166 N/A ARG 143.A NE HIS 247.A O no hydrogen 3.190 N/A ARG 143.A NH1 MET 134.A O no hydrogen 2.647 N/A ARG 143.A NH1 SER 137.A O no hydrogen 2.671 N/A ARG 143.A NH2 MET 134.A O no hydrogen 2.762 N/A LEU 144.A N TYR 140.A O no hydrogen 3.179 N/A TRP 145.A N ASN 141.A O no hydrogen 3.260 N/A ALA 146.A N GLU 142.A O no hydrogen 3.092 N/A TRP 147.A N ARG 143.A O no hydrogen 3.021 N/A TRP 147.A NE1 GLU 471.A OE1 no hydrogen 2.572 N/A GLU 148.A N LEU 144.A O no hydrogen 2.792 N/A SER 149.A N TRP 145.A O no hydrogen 3.017 N/A SER 149.A OG TRP 145.A O no hydrogen 3.136 N/A TRP 150.A NE1 SER 484.A OG no hydrogen 3.092 N/A ARG 151.A N TRP 147.A O no hydrogen 3.331 N/A ARG 151.A N GLU 148.A O no hydrogen 3.131 N/A ARG 151.A NE ASP 481.A OD1 no hydrogen 2.657 N/A ARG 151.A NH1 TRP 147.A O no hydrogen 3.558 N/A ARG 151.A NH1 MET 252.A O no hydrogen 2.844 N/A ARG 151.A NH2 MET 252.A O no hydrogen 2.683 N/A ARG 151.A NH2 ASP 481.A OD1 no hydrogen 2.896 N/A SER 152.A N GLU 148.A O no hydrogen 3.174 N/A SER 152.A OG GLU 148.A O no hydrogen 3.312 N/A SER 152.A OG TYR 479.A OH no hydrogen 2.593 N/A GLU 153.A N SER 149.A O no hydrogen 2.755 N/A VAL 154.A N TRP 150.A O no hydrogen 2.900 N/A GLY 155.A N TRP 150.A O no hydrogen 3.086 N/A GLN 157.A NE2 GLU 153.A O no hydrogen 2.698 N/A LEU 158.A N VAL 154.A O no hydrogen 3.221 N/A ARG 159.A N LYS 156.A O no hydrogen 3.305 N/A ARG 159.A NE THR 478.A O no hydrogen 2.668 N/A TYR 162.A N LEU 158.A O no hydrogen 2.791 N/A GLU 163.A N ARG 159.A O no hydrogen 3.228 N/A TYR 165.A N LEU 161.A O no hydrogen 3.114 N/A TYR 165.A OH ASP 491.A OD1 no hydrogen 2.867 N/A VAL 166.A N TYR 162.A O no hydrogen 3.009 N/A VAL 167.A N GLU 163.A O no hydrogen 2.974 N/A LEU 168.A N GLU 164.A O no hydrogen 2.835 N/A LYS 169.A N TYR 165.A O no hydrogen 3.035 N/A LYS 169.A NZ TYR 181.A OH no hydrogen 3.103 N/A LYS 169.A NZ ASP 491.A OD2 no hydrogen 2.480 N/A ASN 170.A N VAL 166.A O no hydrogen 2.953 N/A GLU 171.A N VAL 167.A O no hydrogen 3.335 N/A MET 172.A N LEU 168.A O no hydrogen 3.346 N/A ALA 173.A N LYS 169.A O no hydrogen 2.950 N/A ARG 174.A N ASN 170.A O no hydrogen 2.763 N/A ARG 174.A NE GLU 179.A O no hydrogen 3.450 N/A ALA 175.A N GLU 171.A O no hydrogen 3.077 N/A ASN 176.A N MET 172.A O no hydrogen 3.252 N/A ASN 176.A N ALA 173.A O no hydrogen 2.873 N/A ASN 176.A ND2 GLY 86.A O no hydrogen 3.328 N/A ASN 176.A ND2 MET 172.A O no hydrogen 2.313 N/A HIS 177.A N ARG 174.A O no hydrogen 3.311 N/A TYR 181.A N ASN 170.A OD1 no hydrogen 3.245 N/A TYR 181.A OH ASP 491.A OD1 no hydrogen 3.084 N/A TYR 181.A OH ASP 491.A OD2 no hydrogen 3.388 N/A ASP 183.A N ASP 180.A OD2 no hydrogen 2.741 N/A TYR 184.A N ASP 180.A O no hydrogen 2.986 N/A TRP 185.A N TYR 181.A O no hydrogen 3.144 N/A ARG 186.A N GLY 182.A O no hydrogen 3.236 N/A ARG 186.A NH1 GLY 182.A O no hydrogen 3.309 N/A GLY 187.A N TYR 184.A O no hydrogen 3.334 N/A TYR 189.A N ASP 188.A OD2 no hydrogen 2.680 N/A GLU 190.A N GLY 187.A O no hydrogen 3.091 N/A VAL 191.A N TYR 199.A O no hydrogen 2.968 N/A VAL 194.A N ASP 198.A OD2 no hydrogen 3.008 N/A TYR 197.A N VAL 194.A O no hydrogen 3.139 N/A TYR 197.A OH GLU 553.A OE2 no hydrogen 3.262 N/A TYR 199.A N VAL 191.A O no hydrogen 3.000 N/A TYR 199.A OH ASP 207.A OD2 no hydrogen 2.554 N/A SER 200.A N GLN 203.A OE1 no hydrogen 2.815 N/A ARG 201.A NE GLU 190.A OE1 no hydrogen 3.007 N/A ARG 201.A NH1 HIS 177.A O no hydrogen 2.959 N/A ARG 201.A NH1 ASP 183.A OD2 no hydrogen 3.257 N/A ARG 201.A NH2 GLU 190.A OE1 no hydrogen 3.332 N/A ARG 201.A NH2 GLU 190.A OE2 no hydrogen 3.510 N/A LEU 204.A N ARG 201.A O no hydrogen 3.331 N/A ILE 205.A N GLY 202.A O no hydrogen 3.071 N/A ASP 207.A N GLN 203.A O no hydrogen 3.014 N/A VAL 208.A N LEU 204.A O no hydrogen 3.111 N/A GLU 209.A N ILE 205.A O no hydrogen 3.193 N/A HIS 210.A N GLU 206.A O no hydrogen 2.727 N/A THR 211.A N ASP 207.A O no hydrogen 2.876 N/A THR 211.A OG1 ASP 207.A O no hydrogen 2.571 N/A THR 211.A OG1 VAL 208.A O no hydrogen 3.259 N/A THR 211.A OG1 TYR 498.A OH no hydrogen 2.404 N/A PHE 212.A N VAL 208.A O no hydrogen 3.072 N/A GLU 213.A N GLU 209.A O no hydrogen 3.416 N/A GLU 214.A N HIS 210.A O no hydrogen 3.388 N/A ILE 215.A N THR 211.A O no hydrogen 3.091 N/A ILE 215.A N PHE 212.A O no hydrogen 3.098 N/A LYS 216.A N PHE 212.A O no hydrogen 3.155 N/A LEU 218.A N ILE 215.A O no hydrogen 2.914 N/A TYR 219.A N ILE 215.A O no hydrogen 2.712 N/A TYR 219.A OH VAL 467.A O no hydrogen 2.859 N/A GLU 220.A N LYS 216.A O no hydrogen 2.854 N/A HIS 221.A ND1 PRO 217.A O no hydrogen 2.399 N/A LEU 222.A N LEU 218.A O no hydrogen 3.283 N/A HIS 223.A N TYR 219.A O no hydrogen 2.849 N/A HIS 223.A NE2 GLY 468.A O no hydrogen 3.114 N/A ALA 224.A N GLU 220.A O no hydrogen 3.305 N/A TYR 225.A N HIS 221.A O no hydrogen 3.252 N/A TYR 225.A OH THR 264.A O no hydrogen 3.156 N/A VAL 226.A N LEU 222.A O no hydrogen 2.842 N/A ARG 227.A N HIS 223.A O no hydrogen 2.803 N/A ARG 227.A NH1 PRO 240.A O no hydrogen 2.892 N/A ARG 227.A NH2 PHE 585.A O no hydrogen 2.574 N/A ARG 227.A NH2 GLY 587.A O no hydrogen 2.920 N/A ALA 228.A N ALA 224.A O no hydrogen 2.800 N/A LYS 229.A N TYR 225.A O no hydrogen 2.978 N/A LEU 230.A N VAL 226.A O no hydrogen 2.870 N/A MET 231.A N ARG 227.A O no hydrogen 2.742 N/A ASN 232.A N ALA 228.A O no hydrogen 3.360 N/A ASN 232.A N LYS 229.A O no hydrogen 3.193 N/A TYR 234.A N LEU 230.A O no hydrogen 2.875 N/A TYR 234.A OH LEU 138.A O no hydrogen 2.629 N/A TYR 237.A N TYR 234.A O no hydrogen 3.447 N/A ILE 238.A N TYR 234.A O no hydrogen 3.082 N/A CYS 243.A SG SER 589.A O no hydrogen 3.071 N/A LEU 244.A N GLY 468.A O no hydrogen 3.374 N/A ALA 246.A N VAL 470.A O no hydrogen 2.598 N/A LEU 248.A N PRO 245.A O no hydrogen 3.504 N/A TRP 253.A NE1 SER 484.A O no hydrogen 2.829 N/A GLY 254.A N ASP 251.A OD1 no hydrogen 2.873 N/A ARG 255.A N ASP 251.A OD1 no hydrogen 3.345 N/A ARG 255.A N ASP 251.A OD2 no hydrogen 2.813 N/A PHE 256.A N ASP 251.A OD2 no hydrogen 3.254 N/A TRP 257.A N LEU 426.A O no hydrogen 2.992 N/A THR 258.A OG1 THR 427.A OG1 no hydrogen 2.620 N/A ASN 259.A ND2 GLY 250.A O no hydrogen 2.503 N/A LEU 260.A N TRP 257.A O no hydrogen 3.014 N/A TYR 261.A N THR 258.A O no hydrogen 3.395 N/A LEU 263.A N LEU 260.A O no hydrogen 3.145 N/A THR 264.A N LEU 260.A O no hydrogen 2.921 N/A THR 264.A N TYR 261.A O no hydrogen 3.229 N/A THR 264.A OG1 LEU 260.A O no hydrogen 2.772 N/A PHE 267.A N ASN 419.A OD1 no hydrogen 3.125 N/A GLN 269.A N GLN 269.A OE1 no hydrogen 2.569 N/A LYS 270.A NZ ASP 413.A OD2 no hydrogen 3.073 N/A THR 276.A OG1 THR 347.A OG1 no hydrogen 2.771 N/A MET 279.A N VAL 275.A O no hydrogen 3.068 N/A VAL 280.A N THR 276.A O no hydrogen 3.383 N/A ASP 281.A N ASP 277.A O no hydrogen 3.105 N/A GLN 282.A N ALA 278.A O no hydrogen 3.292 N/A GLN 282.A NE2 GLY 404.A O no hydrogen 2.865 N/A ALA 283.A N VAL 280.A O no hydrogen 3.280 N/A TRP 284.A N MET 279.A O no hydrogen 3.048 N/A ARG 288.A NH1 GLN 282.A O no hydrogen 2.915 N/A ARG 288.A NH1 ALA 283.A O no hydrogen 2.832 N/A ILE 289.A N ASP 285.A O no hydrogen 2.973 N/A PHE 290.A N ALA 286.A O no hydrogen 3.053 N/A LYS 291.A N GLN 287.A O no hydrogen 2.581 N/A GLU 292.A N ARG 288.A O no hydrogen 2.674 N/A ALA 293.A N ILE 289.A O no hydrogen 2.871 N/A GLU 294.A N PHE 290.A O no hydrogen 3.025 N/A LYS 295.A N LYS 291.A O no hydrogen 3.322 N/A LYS 295.A N GLU 292.A O no hydrogen 3.247 N/A LYS 295.A NZ GLU 292.A OE2 no hydrogen 2.674 N/A PHE 296.A N ALA 293.A O no hydrogen 3.147 N/A PHE 297.A N ALA 293.A O no hydrogen 3.476 N/A VAL 298.A N GLU 294.A O no hydrogen 2.909 N/A SER 299.A N LYS 295.A O no hydrogen 2.921 N/A SER 299.A OG LYS 295.A O no hydrogen 2.758 N/A SER 299.A OG PHE 296.A O no hydrogen 2.773 N/A VAL 300.A N PHE 296.A O no hydrogen 3.086 N/A GLY 301.A N VAL 298.A O no hydrogen 3.228 N/A LEU 302.A N PHE 297.A O no hydrogen 3.001 N/A MET 305.A N GLU 294.A OE2 no hydrogen 2.682 N/A PHE 309.A N THR 306.A O no hydrogen 3.299 N/A PHE 309.A N THR 306.A OG1 no hydrogen 3.117 N/A TRP 310.A NE1 GLU 294.A OE1 no hydrogen 2.591 N/A GLU 311.A N GLN 307.A O no hydrogen 3.384 N/A ASN 312.A N GLY 308.A O no hydrogen 3.069 N/A SER 313.A OG MET 314.A O no hydrogen 3.500 N/A SER 313.A OG ILE 340.A O no hydrogen 2.698 N/A MET 314.A N ILE 340.A O no hydrogen 3.321 N/A GLY 319.A N ASP 317.A O no hydrogen 2.733 N/A ALA 324.A N ASP 317.A OD1 no hydrogen 2.779 N/A VAL 325.A N ASN 33.A O no hydrogen 2.722 N/A HIS 327.A ND1 PRO 328.A O no hydrogen 2.884 N/A THR 329.A N LEU 341.A O no hydrogen 3.197 N/A THR 329.A OG1 HIS 327.A O no hydrogen 3.425 N/A TRP 331.A N ARG 339.A O no hydrogen 3.004 N/A TRP 331.A NE1 THR 329.A OG1 no hydrogen 2.909 N/A GLY 334.A N ASP 337.A O no hydrogen 3.245 N/A LYS 335.A NZ GLU 19.A OE1 no hydrogen 3.202 N/A ASP 337.A N GLY 334.A O no hydrogen 2.891 N/A ARG 339.A N TRP 331.A O no hydrogen 3.427 N/A ARG 339.A NE ASP 337.A OD1 no hydrogen 3.090 N/A LEU 341.A N THR 329.A O no hydrogen 3.124 N/A THR 344.A N LEU 315.A O no hydrogen 2.992 N/A LYS 345.A N ASP 350.A OD2 no hydrogen 2.610 N/A THR 347.A OG1 THR 276.A OG1 no hydrogen 2.771 N/A MET 348.A N THR 276.A OG1 no hydrogen 2.798 N/A PHE 351.A N THR 347.A O no hydrogen 2.983 N/A LEU 352.A N MET 348.A O no hydrogen 3.222 N/A THR 353.A N ASP 349.A O no hydrogen 3.241 N/A THR 353.A OG1 ASP 349.A O no hydrogen 2.581 N/A ALA 354.A N ASP 350.A O no hydrogen 2.956 N/A HIS 355.A ND1 PHE 351.A O no hydrogen 2.702 N/A HIS 356.A N LEU 352.A O no hydrogen 2.864 N/A GLU 357.A N THR 353.A O no hydrogen 3.064 N/A MET 358.A N ALA 354.A O no hydrogen 3.025 N/A GLY 359.A N HIS 355.A O no hydrogen 2.941 N/A HIS 360.A N HIS 356.A O no hydrogen 3.344 N/A HIS 360.A NE2 HIS 356.A NE2 no hydrogen 3.301 N/A ILE 361.A N GLU 357.A O no hydrogen 3.313 N/A GLN 362.A N MET 358.A O no hydrogen 3.160 N/A GLN 362.A NE2 PRO 303.A O no hydrogen 2.859 N/A TYR 363.A N GLY 359.A O no hydrogen 3.131 N/A ASP 364.A N HIS 360.A O no hydrogen 3.229 N/A MET 365.A N ILE 361.A O no hydrogen 2.674 N/A ALA 366.A N GLN 362.A O no hydrogen 3.269 N/A GLN 370.A N TYR 367.A O no hydrogen 3.131 N/A GLN 370.A NE2 ARG 541.A O no hydrogen 3.386 N/A LEU 373.A N ASN 15.A OD1 no hydrogen 3.363 N/A ARG 375.A N PHE 372.A O no hydrogen 3.091 N/A ARG 375.A NE ALA 368.A O no hydrogen 2.614 N/A ARG 375.A NH2 ALA 368.A O no hydrogen 3.282 N/A GLY 377.A N ASN 376.A OD1 no hydrogen 2.627 N/A ALA 378.A N TYR 363.A OH no hydrogen 3.229 N/A GLU 380.A N GLU 380.A OE1 no hydrogen 2.943 N/A PHE 382.A N ASN 379.A OD1 no hydrogen 2.552 N/A GLU 384.A N GLU 380.A O no hydrogen 3.387 N/A ALA 385.A N GLY 381.A O no hydrogen 2.806 N/A GLU 388.A N ALA 385.A O no hydrogen 3.282 N/A SER 391.A OG GLU 388.A O no hydrogen 2.872 N/A LEU 392.A N GLU 388.A O no hydrogen 2.805 N/A SER 393.A N ILE 389.A O no hydrogen 3.354 N/A SER 393.A OG ILE 389.A O no hydrogen 2.800 N/A ALA 394.A N MET 390.A O no hydrogen 3.246 N/A ALA 395.A N SER 391.A O no hydrogen 2.840 N/A THR 396.A N SER 393.A O no hydrogen 3.143 N/A THR 396.A OG1 LEU 392.A O no hydrogen 3.115 N/A THR 396.A OG1 SER 393.A O no hydrogen 2.917 N/A THR 396.A OG1 CYS 524.A O no hydrogen 2.620 N/A LYS 398.A NZ LYS 523.A O no hydrogen 3.038 N/A HIS 399.A N THR 396.A O no hydrogen 3.305 N/A LYS 401.A N PRO 397.A O no hydrogen 2.800 N/A LYS 401.A NZ PHE 410.A O no hydrogen 3.264 N/A SER 402.A N LYS 398.A O no hydrogen 3.214 N/A ILE 403.A N HIS 399.A O no hydrogen 3.052 N/A GLY 404.A N LEU 400.A O no hydrogen 3.122 N/A LEU 405.A N LEU 400.A O no hydrogen 3.037 N/A LEU 406.A N LEU 400.A O no hydrogen 3.382 N/A ASP 409.A N SER 407.A OG no hydrogen 3.336 N/A PHE 410.A N SER 407.A O no hydrogen 3.302 N/A ASP 413.A N THR 416.A OG1 no hydrogen 3.345 N/A THR 416.A N ASP 413.A OD1 no hydrogen 2.936 N/A THR 416.A OG1 ASP 413.A O no hydrogen 3.226 N/A THR 416.A OG1 ASP 413.A OD1 no hydrogen 2.589 N/A GLU 417.A N ASP 413.A O no hydrogen 3.117 N/A ILE 418.A N ASN 414.A O no hydrogen 3.328 N/A ILE 418.A N GLU 415.A O no hydrogen 3.338 N/A ASN 419.A ND2 PHE 267.A O no hydrogen 3.153 N/A PHE 420.A N THR 416.A O no hydrogen 3.210 N/A LEU 421.A N GLU 417.A O no hydrogen 2.655 N/A LEU 422.A N ILE 418.A O no hydrogen 2.803 N/A GLN 424.A N LEU 421.A O no hydrogen 3.114 N/A GLN 424.A NE2 PHE 420.A O no hydrogen 2.962 N/A ALA 425.A N LEU 421.A O no hydrogen 3.370 N/A LEU 426.A N LEU 422.A O no hydrogen 3.290 N/A THR 427.A N GLN 424.A O no hydrogen 2.768 N/A THR 427.A OG1 THR 258.A OG1 no hydrogen 2.620 N/A ILE 428.A N GLN 424.A O no hydrogen 2.639 N/A GLY 430.A N ALA 425.A O no hydrogen 2.667 N/A THR 431.A N ILE 428.A O no hydrogen 3.069 N/A THR 431.A OG1 ARG 255.A O no hydrogen 2.447 N/A THR 431.A OG1 THR 427.A O no hydrogen 2.606 N/A LEU 432.A N ILE 428.A O no hydrogen 2.954 N/A THR 435.A N THR 431.A O no hydrogen 3.209 N/A THR 435.A OG1 THR 431.A O no hydrogen 3.531 N/A TYR 436.A N LEU 432.A O no hydrogen 3.461 N/A MET 437.A N PRO 433.A O no hydrogen 2.842 N/A LEU 438.A N PHE 434.A O no hydrogen 2.922 N/A GLU 439.A N THR 435.A O no hydrogen 2.953 N/A LYS 440.A N TYR 436.A O no hydrogen 3.096 N/A LYS 440.A NZ TYR 436.A OH no hydrogen 2.882 N/A TRP 441.A N MET 437.A O no hydrogen 2.993 N/A ARG 442.A N LEU 438.A O no hydrogen 2.835 N/A ARG 442.A NE TYR 162.A OH no hydrogen 3.403 N/A ARG 442.A NH1 TYR 492.A O no hydrogen 3.102 N/A TRP 443.A N GLU 439.A O no hydrogen 2.757 N/A MET 444.A N LYS 440.A O no hydrogen 3.117 N/A VAL 445.A N TRP 441.A O no hydrogen 2.969 N/A PHE 446.A N ARG 442.A O no hydrogen 2.841 N/A LYS 447.A N TRP 443.A O no hydrogen 3.187 N/A LYS 447.A NZ GLU 179.A OE1 no hydrogen 2.678 N/A GLY 448.A N MET 444.A O no hydrogen 2.959 N/A GLU 449.A N MET 444.A O no hydrogen 2.922 N/A GLN 454.A N PRO 451.A O no hydrogen 3.109 N/A LYS 458.A N GLN 454.A O no hydrogen 3.136 N/A TRP 459.A N TRP 455.A O no hydrogen 2.840 N/A TRP 459.A NE1 ASP 481.A OD2 no hydrogen 2.973 N/A TRP 460.A N MET 456.A O no hydrogen 2.856 N/A GLU 461.A N LYS 457.A O no hydrogen 3.005 N/A MET 462.A N LYS 458.A O no hydrogen 2.823 N/A LYS 463.A N TRP 459.A O no hydrogen 3.053 N/A LYS 463.A NZ GLU 471.A OE2 no hydrogen 2.434 N/A ARG 464.A N TRP 460.A O no hydrogen 3.365 N/A ARG 464.A NH1 THR 590.A O no hydrogen 3.071 N/A GLU 465.A N GLU 461.A O no hydrogen 3.297 N/A ILE 466.A N MET 462.A O no hydrogen 2.979 N/A VAL 469.A N LYS 463.A O no hydrogen 2.738 N/A VAL 470.A N LEU 244.A O no hydrogen 3.098 N/A HIS 475.A NE2 GLU 148.A OE1 no hydrogen 2.582 N/A THR 478.A OG1 ASP 476.A OD1 no hydrogen 3.052 N/A THR 478.A OG1 ASP 476.A OD2 no hydrogen 3.069 N/A TYR 479.A N ASP 476.A O no hydrogen 3.367 N/A TYR 479.A OH GLU 148.A OE2 no hydrogen 3.397 N/A TYR 479.A OH SER 152.A OG no hydrogen 2.593 N/A SER 484.A N ASP 481.A O no hydrogen 2.989 N/A SER 484.A OG ASP 481.A O no hydrogen 3.046 N/A LEU 485.A N PRO 482.A O no hydrogen 3.303 N/A HIS 487.A NE2 TYR 497.A OH no hydrogen 2.730 N/A SER 489.A N LEU 485.A O no hydrogen 3.050 N/A SER 489.A OG LEU 485.A O no hydrogen 2.978 N/A SER 489.A OG PHE 486.A O no hydrogen 3.275 N/A ASN 490.A N PHE 486.A O no hydrogen 3.088 N/A ASN 490.A ND2 PHE 486.A O no hydrogen 2.625 N/A TYR 492.A N HIS 487.A O no hydrogen 2.723 N/A TYR 497.A N PHE 494.A O no hydrogen 3.138 N/A TYR 497.A OH HIS 487.A NE2 no hydrogen 2.730 N/A TYR 498.A OH THR 211.A OG1 no hydrogen 2.404 N/A THR 499.A N ILE 495.A O no hydrogen 3.106 N/A THR 499.A OG1 ILE 495.A O no hydrogen 3.301 N/A ARG 500.A N ARG 496.A O no hydrogen 2.676 N/A THR 501.A N TYR 497.A O no hydrogen 2.915 N/A THR 501.A OG1 TYR 497.A O no hydrogen 2.591 N/A LEU 502.A N TYR 498.A O no hydrogen 3.287 N/A TYR 503.A N THR 499.A O no hydrogen 2.999 N/A GLN 504.A N ARG 500.A O no hydrogen 2.919 N/A GLN 506.A N LEU 502.A O no hydrogen 3.136 N/A GLN 506.A NE2 ASN 560.A O no hydrogen 3.434 N/A PHE 507.A N TYR 503.A O no hydrogen 2.932 N/A GLN 508.A N GLN 504.A O no hydrogen 2.976 N/A GLU 509.A N PHE 505.A O no hydrogen 2.848 N/A ALA 510.A N GLN 506.A O no hydrogen 3.135 N/A LEU 511.A N PHE 507.A O no hydrogen 3.053 N/A CYS 512.A N GLN 508.A O no hydrogen 2.732 N/A CYS 512.A SG GLN 508.A O no hydrogen 3.079 N/A GLN 513.A N GLU 509.A O no hydrogen 3.027 N/A ALA 514.A N ALA 510.A O no hydrogen 3.099 N/A ALA 515.A N LEU 511.A O no hydrogen 2.621 N/A LYS 516.A N GLN 513.A O no hydrogen 3.142 N/A LYS 516.A NZ GLN 513.A O no hydrogen 3.257 N/A LYS 516.A NZ ALA 514.A O no hydrogen 3.268 N/A HIS 517.A N CYS 512.A O no hydrogen 2.875 N/A HIS 517.A NE2 PRO 520.A O no hydrogen 2.799 N/A LEU 521.A N ASN 568.A O no hydrogen 3.106 N/A HIS 522.A NE2 GLU 417.A OE1 no hydrogen 3.281 N/A LYS 523.A NZ GLU 417.A OE2 no hydrogen 2.568 N/A CYS 524.A N LEU 521.A O no hydrogen 2.967 N/A SER 527.A N ASP 525.A OD1 no hydrogen 2.938 N/A SER 529.A N ILE 526.A O no hydrogen 3.385 N/A SER 529.A OG ILE 526.A O no hydrogen 3.445 N/A SER 529.A OG SER 527.A O no hydrogen 3.282 N/A THR 530.A OG1 GLU 531.A OE2 no hydrogen 2.966 N/A ALA 532.A N SER 529.A O no hydrogen 2.990 N/A GLY 533.A N VAL 300.A O no hydrogen 2.540 N/A GLN 534.A N THR 530.A O no hydrogen 3.346 N/A GLN 534.A NE2 GLY 301.A O no hydrogen 3.072 N/A LYS 535.A N GLU 531.A O no hydrogen 3.214 N/A LEU 536.A N ALA 532.A O no hydrogen 3.369 N/A PHE 537.A N GLY 533.A O no hydrogen 3.070 N/A MET 539.A N LEU 536.A O no hydrogen 2.866 N/A LEU 540.A N LEU 536.A O no hydrogen 2.969 N/A ARG 541.A N PHE 537.A O no hydrogen 3.078 N/A LEU 542.A N MET 539.A O no hydrogen 3.340 N/A SER 545.A N LEU 542.A O no hydrogen 3.384 N/A TRP 548.A NE1 TYR 189.A O no hydrogen 2.777 N/A THR 549.A OG1 TYR 197.A O no hydrogen 3.194 N/A GLU 553.A N THR 549.A O no hydrogen 3.204 N/A VAL 555.A N LEU 552.A O no hydrogen 3.278 N/A VAL 556.A N LEU 552.A O no hydrogen 2.950 N/A GLY 557.A N LEU 552.A O no hydrogen 2.950 N/A ALA 558.A N LEU 552.A O no hydrogen 3.511 N/A LYS 559.A NZ GLY 196.A O no hydrogen 2.801 N/A ARG 564.A N ASN 562.A OD1 no hydrogen 2.978 N/A LEU 566.A N VAL 563.A O no hydrogen 2.962 N/A LEU 567.A N VAL 563.A O no hydrogen 3.490 N/A ASN 568.A ND2 GLU 509.A OE2 no hydrogen 2.463 N/A TYR 569.A N PRO 565.A O no hydrogen 3.246 N/A PHE 570.A N LEU 566.A O no hydrogen 2.965 N/A PHE 574.A N PHE 570.A O no hydrogen 3.296 N/A TRP 576.A N PRO 572.A O no hydrogen 3.112 N/A LEU 577.A N LEU 573.A O no hydrogen 2.828 N/A LYS 578.A N PHE 574.A O no hydrogen 3.163 N/A LYS 578.A N THR 575.A O no hydrogen 3.105 N/A ASP 579.A N THR 575.A O no hydrogen 3.310 N/A GLN 580.A N TRP 576.A O no hydrogen 3.259 N/A ASN 581.A N LEU 577.A O no hydrogen 3.032 N/A ASN 581.A ND2 HIS 221.A O no hydrogen 2.857 N/A LYS 582.A N ASP 579.A O no hydrogen 3.363 N/A SER 584.A N ASN 581.A O no hydrogen 3.321 N/A SER 584.A OG PRO 240.A O no hydrogen 3.089 N/A PHE 585.A N SER 584.A OG no hydrogen 2.744 N/A GLY 587.A N GLU 220.A O no hydrogen 3.382 N/A TRP 588.A NE1 GLU 465.A O no hydrogen 3.095 N/A TRP 592.A N SER 589.A O no hydrogen 3.482 N/A ALA 596.A N SER 593.A O no hydrogen 3.130 N/A