Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2uxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N SER 2.A O no hydrogen 3.141 N/A ALA 8.A N VAL 4.A O no hydrogen 3.305 N/A PHE 9.A N GLU 5.A O no hydrogen 3.221 N/A GLN 10.A N GLY 6.A O no hydrogen 2.832 N/A GLN 10.A NE2 LEU 167.A O no hydrogen 2.926 N/A SER 11.A N ALA 8.A O no hydrogen 3.077 N/A SER 11.A OG ALA 7.A O no hydrogen 3.023 N/A ARG 12.A N PHE 9.A O no hydrogen 3.111 N/A ARG 12.A NH1 GLY 169.A O no hydrogen 2.567 N/A LEU 13.A N ALA 8.A O no hydrogen 2.734 N/A THR 19.A N GLU 22.A OE1 no hydrogen 2.751 N/A THR 19.A OG1 GLU 22.A OE1 no hydrogen 3.297 N/A GLN 21.A NE2 TYR 85.A OH no hydrogen 3.405 N/A GLU 22.A N THR 19.A OG1 no hydrogen 3.252 N/A ALA 23.A N THR 19.A O no hydrogen 2.858 N/A ALA 24.A N SER 20.A O no hydrogen 3.112 N/A CYS 25.A N GLN 21.A O no hydrogen 3.361 N/A CYS 25.A SG GLN 21.A O no hydrogen 3.481 N/A PHE 26.A N GLU 22.A O no hydrogen 2.799 N/A ILE 29.A N PHE 26.A O no hydrogen 3.202 N/A ILE 30.A N PHE 26.A O no hydrogen 3.199 N/A SER 31.A N PRO 27.A O no hydrogen 3.294 N/A SER 31.A OG PRO 27.A O no hydrogen 2.490 N/A SER 31.A OG ASP 28.A O no hydrogen 3.565 N/A GLY 32.A N ILE 29.A O no hydrogen 3.211 N/A THR 36.A N PRO 33.A O no hydrogen 3.096 N/A GLN 37.A NE2 ILE 29.A O no hydrogen 3.578 N/A GLN 37.A NE2 GLY 32.A O no hydrogen 3.199 N/A LYS 38.A N GLN 34.A O no hydrogen 3.246 N/A VAL 39.A N GLN 35.A O no hydrogen 3.217 N/A PHE 40.A N THR 36.A O no hydrogen 3.015 N/A LEU 41.A N GLN 37.A O no hydrogen 2.897 N/A PHE 42.A N LYS 38.A O no hydrogen 3.145 N/A ILE 43.A N VAL 39.A O no hydrogen 3.228 N/A ARG 44.A N PHE 40.A O no hydrogen 2.913 N/A ARG 44.A NE GLU 22.A OE2 no hydrogen 2.581 N/A ARG 44.A NH1 PRO 14.A O no hydrogen 2.961 N/A ARG 44.A NH1 ASN 45.A OD1 no hydrogen 2.726 N/A ARG 44.A NH2 PRO 14.A O no hydrogen 3.174 N/A ARG 44.A NH2 ARG 17.A O no hydrogen 2.967 N/A ARG 44.A NH2 GLU 22.A OE1 no hydrogen 2.887 N/A ARG 44.A NH2 GLU 22.A OE2 no hydrogen 3.219 N/A ASN 45.A N LEU 41.A O no hydrogen 2.852 N/A ASN 45.A ND2 HIS 15.A O no hydrogen 3.311 N/A ARG 46.A N PHE 42.A O no hydrogen 2.800 N/A ARG 46.A NH1 GLN 49.A OE1 no hydrogen 2.783 N/A THR 47.A N ILE 43.A O no hydrogen 2.981 N/A THR 47.A OG1 ILE 43.A O no hydrogen 2.600 N/A LEU 48.A N ARG 44.A O no hydrogen 3.096 N/A GLN 49.A N ASN 45.A O no hydrogen 2.983 N/A LEU 50.A N ARG 46.A O no hydrogen 2.849 N/A TRP 51.A N THR 47.A O no hydrogen 3.215 N/A LEU 52.A N LEU 48.A O no hydrogen 2.877 N/A ASP 53.A N GLN 49.A O no hydrogen 2.894 N/A ASN 54.A N TRP 51.A O no hydrogen 3.301 N/A GLN 58.A N LYS 98.A O no hydrogen 2.954 N/A LEU 59.A N ASN 93.A OD1 no hydrogen 2.717 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.786 N/A ALA 63.A N THR 60.A OG1 no hydrogen 3.335 N/A THR 64.A N THR 60.A O no hydrogen 3.124 N/A THR 64.A N PHE 61.A O no hydrogen 3.105 N/A THR 64.A OG1 THR 60.A O no hydrogen 2.683 N/A LEU 65.A N PHE 61.A O no hydrogen 3.029 N/A GLN 66.A N GLU 62.A O no hydrogen 3.149 N/A GLN 67.A N THR 64.A O no hydrogen 3.151 N/A LEU 68.A N LEU 65.A O no hydrogen 3.391 N/A SER 74.A N PRO 71.A O no hydrogen 2.948 N/A SER 74.A OG PRO 71.A O no hydrogen 2.611 N/A LEU 78.A N ASP 75.A OD1 no hydrogen 3.456 N/A VAL 79.A N ASP 75.A O no hydrogen 3.367 N/A HIS 80.A N THR 76.A O no hydrogen 3.059 N/A ARG 81.A N VAL 77.A O no hydrogen 2.844 N/A ARG 81.A NE TYR 664.A O no hydrogen 3.189 N/A ARG 81.A NH1 ASP 28.A OD2 no hydrogen 3.271 N/A ARG 81.A NH2 CYS 25.A O no hydrogen 3.491 N/A ARG 81.A NH2 ASP 28.A OD1 no hydrogen 3.034 N/A VAL 82.A N LEU 78.A O no hydrogen 3.018 N/A HIS 83.A N VAL 79.A O no hydrogen 2.873 N/A HIS 83.A NE2 LEU 59.A O no hydrogen 2.745 N/A SER 84.A N HIS 80.A O no hydrogen 2.899 N/A SER 84.A OG HIS 80.A O no hydrogen 3.129 N/A TYR 85.A N ARG 81.A O no hydrogen 3.058 N/A LEU 86.A N VAL 82.A O no hydrogen 2.999 N/A GLU 87.A N HIS 83.A O no hydrogen 2.989 N/A ARG 88.A N SER 84.A O no hydrogen 2.838 N/A ARG 88.A NH1 ASP 657.A OD1 no hydrogen 3.011 N/A ARG 88.A NH1 GLY 661.A O no hydrogen 3.382 N/A HIS 89.A N TYR 85.A O no hydrogen 3.099 N/A HIS 89.A ND1 TYR 85.A O no hydrogen 2.912 N/A GLY 90.A N GLU 87.A O no hydrogen 3.127 N/A LEU 91.A N LEU 86.A O no hydrogen 2.828 N/A ILE 92.A N LEU 86.A O no hydrogen 3.445 N/A ASN 93.A ND2 LEU 59.A O no hydrogen 2.900 N/A ASN 93.A ND2 GLU 87.A OE2 no hydrogen 2.776 N/A ILE 96.A N GLN 178.A OE1 no hydrogen 2.707 N/A TYR 97.A OH ASN 93.A O no hydrogen 2.958 N/A LYS 98.A N LYS 56.A O no hydrogen 2.804 N/A ARG 99.A NH1 TYR 97.A OH no hydrogen 3.472 N/A ARG 99.A NH1 SER 129.A OG no hydrogen 3.347 N/A ILE 100.A N GLN 58.A OE1 no hydrogen 3.200 N/A LYS 101.A N GLN 58.A OE1 no hydrogen 3.431 N/A LYS 101.A NZ GLU 62.A OE1 no hydrogen 3.025 N/A THR 108.A N GLY 131.A O no hydrogen 2.768 N/A LYS 110.A N ASP 449.A OD2 no hydrogen 2.793 N/A LYS 110.A NZ ASP 133.A OD1 no hydrogen 3.170 N/A LYS 110.A NZ THR 135.A OG1 no hydrogen 2.730 N/A VAL 111.A N ASP 133.A O no hydrogen 2.830 N/A ILE 112.A N ALA 450.A O no hydrogen 3.124 N/A ILE 113.A N THR 135.A O no hydrogen 2.926 N/A ILE 114.A N LEU 452.A O no hydrogen 2.873 N/A GLY 115.A N LEU 137.A O no hydrogen 2.778 N/A SER 116.A N GLU 138.A OE1 no hydrogen 2.679 N/A SER 116.A OG GLU 138.A OE1 no hydrogen 3.137 N/A LEU 121.A N GLY 117.A O no hydrogen 2.878 N/A ALA 122.A N VAL 118.A O no hydrogen 2.987 N/A ALA 123.A N SER 119.A O no hydrogen 3.377 N/A ALA 124.A N GLY 120.A O no hydrogen 3.032 N/A ARG 125.A N LEU 121.A O no hydrogen 3.053 N/A ARG 125.A NE LEU 408.A O no hydrogen 3.254 N/A ARG 125.A NH1 GLY 95.A O no hydrogen 2.989 N/A ARG 125.A NH2 GLU 410.A O no hydrogen 3.023 N/A GLN 126.A N ALA 122.A O no hydrogen 3.219 N/A LEU 127.A N ALA 123.A O no hydrogen 2.835 N/A GLN 128.A N ALA 124.A O no hydrogen 2.927 N/A GLN 128.A NE2 GLY 411.A O no hydrogen 3.362 N/A SER 129.A N ARG 125.A O no hydrogen 2.916 N/A PHE 130.A N GLN 126.A O no hydrogen 2.910 N/A PHE 130.A N LEU 127.A O no hydrogen 3.210 N/A GLY 131.A N GLN 128.A O no hydrogen 2.866 N/A MET 132.A N LEU 127.A O no hydrogen 3.044 N/A ASP 133.A N GLY 109.A O no hydrogen 2.917 N/A THR 135.A N VAL 111.A O no hydrogen 3.210 N/A THR 135.A OG1 ASP 413.A OD2 no hydrogen 2.706 N/A LEU 136.A N ASP 413.A O no hydrogen 2.783 N/A LEU 137.A N ILE 113.A O no hydrogen 2.842 N/A GLU 138.A N LYS 415.A O no hydrogen 2.928 N/A ARG 140.A N GLU 138.A OE2 no hydrogen 2.944 N/A ARG 140.A NH1 ASP 584.A OD2 no hydrogen 2.935 N/A ARG 140.A NH2 ASP 584.A OD2 no hydrogen 2.885 N/A ARG 142.A NH1 VAL 143.A O no hydrogen 2.991 N/A ARG 142.A NH1 GLY 145.A O no hydrogen 3.220 N/A ARG 142.A NH2 GLY 145.A O no hydrogen 2.885 N/A GLY 144.A N SER 116.A O no hydrogen 2.941 N/A ARG 146.A NH1 SER 590.A O no hydrogen 2.876 N/A ARG 146.A NH1 GLU 631.A OE1 no hydrogen 3.145 N/A VAL 147.A N GLY 144.A O no hydrogen 2.745 N/A THR 149.A OG1 ASP 158.A OD1 no hydrogen 2.593 N/A PHE 150.A N ALA 157.A O no hydrogen 2.711 N/A ARG 151.A NH1 ASN 399.A O no hydrogen 3.073 N/A ARG 151.A NH2 ASN 399.A O no hydrogen 2.740 N/A ARG 151.A NH2 SER 402.A OG no hydrogen 3.081 N/A LYS 152.A N TYR 155.A O no hydrogen 3.044 N/A LYS 152.A NZ GLU 575.A OE1 no hydrogen 2.951 N/A LYS 152.A NZ GLU 575.A OE2 no hydrogen 2.754 N/A TYR 155.A N LYS 152.A O no hydrogen 2.884 N/A TYR 155.A OH PHE 496.A O no hydrogen 2.671 N/A ALA 157.A N PHE 150.A O no hydrogen 3.069 N/A ASP 158.A N TYR 528.A OH no hydrogen 3.101 N/A LEU 159.A N ALA 148.A O no hydrogen 2.821 N/A GLY 160.A N ALA 148.A O no hydrogen 3.394 N/A ALA 161.A N ARG 146.A O no hydrogen 3.131 N/A VAL 164.A N LEU 395.A O no hydrogen 3.019 N/A THR 165.A OG1 THR 165.A O no hydrogen 2.570 N/A GLY 168.A N THR 391.A O no hydrogen 3.004 N/A ASN 170.A N LEU 167.A O no hydrogen 3.202 N/A ASN 170.A ND2 THR 165.A O no hydrogen 3.661 N/A ASN 170.A ND2 GLY 166.A O no hydrogen 2.777 N/A MET 172.A N ASN 170.A OD1 no hydrogen 2.785 N/A ALA 173.A N ASN 170.A O no hydrogen 3.134 N/A VAL 174.A N PRO 171.A O no hydrogen 3.306 N/A VAL 175.A N PRO 171.A O no hydrogen 3.466 N/A SER 176.A N MET 172.A O no hydrogen 2.942 N/A SER 176.A OG MET 172.A O no hydrogen 3.284 N/A SER 176.A OG ALA 173.A O no hydrogen 2.693 N/A LYS 177.A N VAL 174.A O no hydrogen 2.979 N/A GLN 178.A N VAL 174.A O no hydrogen 3.210 N/A GLN 178.A N VAL 175.A O no hydrogen 3.043 N/A GLN 178.A NE2 PRO 55.A O no hydrogen 2.855 N/A GLN 178.A NE2 PHE 94.A O no hydrogen 3.035 N/A VAL 179.A N VAL 175.A O no hydrogen 2.786 N/A MET 181.A N VAL 179.A O no hydrogen 2.707 N/A GLU 182.A N ASN 399.A OD1 no hydrogen 2.940 N/A ALA 184.A N THR 396.A O no hydrogen 3.111 N/A ILE 186.A N HIS 394.A O no hydrogen 3.170 N/A LYS 187.A N ASN 506.A OD1 no hydrogen 3.009 N/A CYS 190.A SG LEU 507.A O no hydrogen 3.699 N/A TYR 193.A N GLY 509.A O no hydrogen 3.011 N/A GLU 194.A N GLN 198.A O no hydrogen 3.052 N/A ASN 196.A ND2 GLN 198.A OE1 no hydrogen 3.576 N/A GLY 197.A N GLU 194.A O no hydrogen 2.793 N/A GLN 198.A N ASN 196.A OD1 no hydrogen 2.883 N/A VAL 200.A N LEU 192.A O no hydrogen 3.000 N/A LYS 204.A NZ ASP 355.A OD1 no hydrogen 2.825 N/A LYS 204.A NZ ASP 355.A OD2 no hydrogen 3.354 N/A ASP 205.A N PRO 201.A O no hydrogen 3.080 N/A GLU 206.A N LYS 202.A O no hydrogen 3.025 N/A MET 207.A N GLU 203.A O no hydrogen 3.107 N/A VAL 208.A N LYS 204.A O no hydrogen 2.911 N/A GLU 209.A N ASP 205.A O no hydrogen 3.191 N/A GLN 210.A N GLU 206.A O no hydrogen 3.042 N/A GLU 211.A N MET 207.A O no hydrogen 3.157 N/A PHE 212.A N VAL 208.A O no hydrogen 2.767 N/A ASN 213.A N GLU 209.A O no hydrogen 3.008 N/A ARG 214.A N GLN 210.A O no hydrogen 3.006 N/A ARG 214.A NE GLU 211.A OE1 no hydrogen 3.418 N/A LEU 215.A N GLU 211.A O no hydrogen 2.758 N/A LEU 216.A N PHE 212.A O no hydrogen 3.100 N/A GLU 217.A N ASN 213.A O no hydrogen 3.000 N/A ALA 218.A N ARG 214.A O no hydrogen 3.036 N/A THR 219.A N LEU 215.A O no hydrogen 3.191 N/A THR 219.A OG1 LEU 216.A O no hydrogen 2.431 N/A SER 220.A N LEU 216.A O no hydrogen 3.271 N/A SER 220.A OG HIS 224.A ND1 no hydrogen 3.128 N/A TYR 221.A N GLU 217.A O no hydrogen 3.215 N/A LEU 222.A N ALA 218.A O no hydrogen 2.900 N/A SER 223.A N SER 220.A O no hydrogen 3.072 N/A SER 223.A OG ASN 229.A OD1 no hydrogen 2.680 N/A HIS 224.A N SER 220.A O no hydrogen 2.803 N/A HIS 224.A ND1 SER 220.A O no hydrogen 2.977 N/A HIS 224.A ND1 SER 220.A OG no hydrogen 3.128 N/A GLN 225.A N TYR 221.A O no hydrogen 2.937 N/A LEU 226.A N TYR 221.A O no hydrogen 3.220 N/A PHE 228.A N LEU 222.A O no hydrogen 3.028 N/A ASN 229.A N ASP 227.A O no hydrogen 2.981 N/A ASN 229.A ND2 SER 223.A O no hydrogen 3.084 N/A ASN 229.A ND2 ASP 227.A OD1 no hydrogen 3.160 N/A LEU 231.A N LYS 234.A O no hydrogen 2.880 N/A LYS 234.A N LEU 231.A O no hydrogen 3.158 N/A VAL 236.A N ASN 229.A O no hydrogen 2.874 N/A SER 237.A N GLN 240.A OE1 no hydrogen 3.294 N/A LEU 238.A N LEU 377.A O no hydrogen 2.991 N/A GLY 239.A N LEU 374.A O no hydrogen 2.846 N/A GLN 240.A N SER 237.A OG no hydrogen 3.170 N/A ALA 241.A N SER 237.A O no hydrogen 3.120 N/A LEU 242.A N LEU 238.A O no hydrogen 2.955 N/A GLU 243.A N GLY 239.A O no hydrogen 2.896 N/A VAL 244.A N GLN 240.A O no hydrogen 2.977 N/A VAL 245.A N ALA 241.A O no hydrogen 2.962 N/A ILE 246.A N LEU 242.A O no hydrogen 2.966 N/A GLN 247.A N GLU 243.A O no hydrogen 2.937 N/A LEU 248.A N VAL 244.A O no hydrogen 2.891 N/A GLN 249.A N VAL 245.A O no hydrogen 2.993 N/A GLN 249.A N ILE 246.A O no hydrogen 3.060 N/A GLN 249.A NE2 VAL 245.A O no hydrogen 3.437 N/A GLU 250.A N ILE 246.A O no hydrogen 2.977 N/A LYS 251.A N GLN 247.A O no hydrogen 2.903 N/A LYS 251.A NZ ASP 255.A OD1 no hydrogen 2.988 N/A HIS 252.A N LEU 248.A O no hydrogen 3.062 N/A VAL 253.A N GLN 249.A O no hydrogen 3.198 N/A LYS 254.A N GLU 250.A O no hydrogen 3.123 N/A ASP 255.A N LYS 251.A O no hydrogen 2.760 N/A GLU 256.A N HIS 252.A O no hydrogen 2.815 N/A GLN 257.A N VAL 253.A O no hydrogen 3.145 N/A ILE 258.A N LYS 254.A O no hydrogen 3.020 N/A GLU 259.A N ASP 255.A O no hydrogen 3.127 N/A HIS 260.A N GLU 256.A O no hydrogen 2.988 N/A HIS 260.A NE2 LEU 341.A O no hydrogen 2.789 N/A TRP 261.A N ILE 258.A O no hydrogen 2.859 N/A LYS 262.A N ILE 258.A O no hydrogen 2.852 N/A LYS 263.A N GLU 259.A O no hydrogen 3.087 N/A LYS 263.A N HIS 260.A O no hydrogen 3.307 N/A ILE 264.A N HIS 260.A O no hydrogen 3.333 N/A VAL 265.A N TRP 261.A O no hydrogen 3.039 N/A LYS 266.A N LYS 262.A O no hydrogen 3.238 N/A THR 267.A N LYS 263.A O no hydrogen 3.201 N/A THR 267.A OG1 LYS 263.A O no hydrogen 2.977 N/A GLN 268.A N ILE 264.A O no hydrogen 2.686 N/A GLU 269.A N VAL 265.A O no hydrogen 2.783 N/A GLU 270.A N LYS 266.A O no hydrogen 3.071 N/A LEU 271.A N THR 267.A O no hydrogen 3.015 N/A LYS 272.A N GLN 268.A O no hydrogen 3.190 N/A GLU 273.A N GLU 269.A O no hydrogen 3.152 N/A LEU 274.A N GLU 270.A O no hydrogen 3.151 N/A LEU 275.A N LEU 271.A O no hydrogen 2.803 N/A ASN 276.A N LYS 272.A O no hydrogen 3.014 N/A LYS 277.A N GLU 273.A O no hydrogen 3.048 N/A MET 278.A N LEU 274.A O no hydrogen 2.886 N/A VAL 279.A N LEU 275.A O no hydrogen 2.853 N/A ASN 280.A N ASN 276.A O no hydrogen 3.172 N/A LEU 281.A N LYS 277.A O no hydrogen 2.955 N/A LYS 282.A N MET 278.A O no hydrogen 2.871 N/A GLU 283.A N VAL 279.A O no hydrogen 3.110 N/A LYS 284.A N ASN 280.A O no hydrogen 3.171 N/A ILE 285.A N LEU 281.A O no hydrogen 2.918 N/A LYS 286.A N LYS 282.A O no hydrogen 2.965 N/A GLU 287.A N GLU 283.A O no hydrogen 2.997 N/A LEU 288.A N LYS 284.A O no hydrogen 2.921 N/A HIS 289.A N ILE 285.A O no hydrogen 2.976 N/A GLN 290.A N LYS 286.A O no hydrogen 3.268 N/A GLN 290.A NE2 GLU 294.A OE2 no hydrogen 3.336 N/A GLN 291.A N GLU 287.A O no hydrogen 3.104 N/A TYR 292.A N LEU 288.A O no hydrogen 2.802 N/A LYS 293.A N HIS 289.A O no hydrogen 2.961 N/A GLU 294.A N GLN 290.A O no hydrogen 3.033 N/A ALA 295.A N GLN 291.A O no hydrogen 2.982 N/A SER 296.A N TYR 292.A O no hydrogen 2.793 N/A SER 296.A OG TYR 292.A O no hydrogen 2.677 N/A GLU 297.A N LYS 293.A O no hydrogen 3.105 N/A ARG 302.A NE GLU 307.A OE1 no hydrogen 3.524 N/A ARG 302.A NH1 VAL 298.A O no hydrogen 2.571 N/A THR 305.A OG1 ASP 303.A OD1 no hydrogen 2.574 N/A ALA 306.A N ASP 303.A O no hydrogen 3.176 N/A ALA 306.A N ASP 303.A OD1 no hydrogen 3.040 N/A GLU 307.A N ASP 303.A O no hydrogen 3.099 N/A PHE 308.A N ILE 304.A O no hydrogen 2.681 N/A LEU 309.A N THR 305.A O no hydrogen 3.190 N/A LYS 311.A N LEU 309.A O no hydrogen 2.632 N/A LYS 311.A NZ GLU 307.A OE2 no hydrogen 2.909 N/A SER 312.A N PHE 308.A O no hydrogen 2.650 N/A LYS 313.A NZ GLN 291.A OE1 no hydrogen 3.438 N/A HIS 314.A N VAL 310.A O no hydrogen 2.572 N/A ARG 315.A N LYS 311.A O no hydrogen 3.063 N/A ARG 315.A NE ASP 316.A OD1 no hydrogen 3.060 N/A ARG 315.A NH2 ASP 316.A OD1 no hydrogen 3.397 N/A ASP 316.A N SER 312.A O no hydrogen 3.236 N/A LEU 317.A N LYS 313.A O no hydrogen 2.873 N/A THR 318.A N HIS 314.A O no hydrogen 2.875 N/A THR 318.A OG1 HIS 314.A ND1 no hydrogen 3.330 N/A THR 318.A OG1 HIS 314.A O no hydrogen 2.762 N/A ALA 319.A N ARG 315.A O no hydrogen 2.946 N/A LEU 320.A N ASP 316.A O no hydrogen 3.100 N/A CYS 321.A N LEU 317.A O no hydrogen 3.027 N/A CYS 321.A N THR 318.A O no hydrogen 3.177 N/A CYS 321.A SG LEU 317.A O no hydrogen 3.267 N/A LYS 322.A N THR 318.A O no hydrogen 3.128 N/A GLU 323.A N ALA 319.A O no hydrogen 3.316 N/A TYR 324.A N LEU 320.A O no hydrogen 3.271 N/A ASP 325.A N CYS 321.A O no hydrogen 3.232 N/A GLU 326.A N LYS 322.A O no hydrogen 3.128 N/A LEU 327.A N GLU 323.A O no hydrogen 3.050 N/A ALA 328.A N TYR 324.A O no hydrogen 2.814 N/A GLU 329.A N ASP 325.A O no hydrogen 2.998 N/A THR 330.A N GLU 326.A O no hydrogen 3.244 N/A THR 330.A OG1 GLU 326.A O no hydrogen 2.833 N/A GLN 331.A N LEU 327.A O no hydrogen 3.093 N/A GLN 331.A NE2 GLU 335.A OE2 no hydrogen 3.522 N/A GLY 332.A N ALA 328.A O no hydrogen 3.268 N/A LEU 334.A N THR 330.A O no hydrogen 3.124 N/A GLU 335.A N GLN 331.A O no hydrogen 2.951 N/A GLU 336.A N GLY 332.A O no hydrogen 3.309 N/A LYS 337.A N LYS 333.A O no hydrogen 3.109 N/A LEU 338.A N LEU 334.A O no hydrogen 3.021 N/A GLN 339.A N GLU 335.A O no hydrogen 3.328 N/A GLN 339.A NE2 GLU 335.A O no hydrogen 3.633 N/A GLU 340.A N GLU 336.A O no hydrogen 2.999 N/A LEU 341.A N LYS 337.A O no hydrogen 3.343 N/A GLU 342.A N LEU 338.A O no hydrogen 3.035 N/A ALA 343.A N GLU 340.A O no hydrogen 3.272 N/A ASN 344.A N LEU 341.A O no hydrogen 3.203 N/A ASN 344.A ND2 GLU 340.A O no hydrogen 2.733 N/A TYR 350.A OH GLU 211.A OE2 no hydrogen 2.593 N/A SER 352.A N ASP 355.A OD2 no hydrogen 3.087 N/A SER 352.A OG ASP 355.A OD2 no hydrogen 2.632 N/A ARG 354.A NE GLU 194.A OE1 no hydrogen 3.256 N/A ASP 355.A N SER 352.A OG no hydrogen 3.189 N/A ARG 356.A N SER 352.A O no hydrogen 2.791 N/A ARG 356.A NE ASP 360.A OD1 no hydrogen 3.169 N/A ARG 356.A NH2 ASP 360.A OD1 no hydrogen 2.807 N/A GLN 357.A N SER 353.A O no hydrogen 3.283 N/A GLN 357.A NE2 SER 513.A O no hydrogen 2.860 N/A ILE 358.A N ARG 354.A O no hydrogen 3.276 N/A LEU 359.A N ASP 355.A O no hydrogen 2.973 N/A ASP 360.A N ARG 356.A O no hydrogen 2.878 N/A TRP 361.A N GLN 357.A O no hydrogen 3.278 N/A TRP 361.A N ILE 358.A O no hydrogen 3.224 N/A TRP 361.A NE1 PHE 522.A O no hydrogen 2.802 N/A HIS 362.A N ILE 358.A O no hydrogen 3.423 N/A PHE 363.A N LEU 359.A O no hydrogen 3.072 N/A ALA 364.A N ASP 360.A O no hydrogen 2.925 N/A ASN 365.A N TRP 361.A O no hydrogen 2.885 N/A LEU 366.A N HIS 362.A O no hydrogen 3.102 N/A GLU 367.A N PHE 363.A O no hydrogen 2.845 N/A PHE 368.A N ALA 364.A O no hydrogen 2.820 N/A ALA 369.A N ASN 365.A O no hydrogen 3.096 N/A ASN 370.A N LEU 366.A O no hydrogen 3.089 N/A ASN 370.A ND2 LEU 366.A O no hydrogen 3.020 N/A ALA 371.A N PHE 368.A O no hydrogen 2.989 N/A THR 372.A N GLU 367.A O no hydrogen 3.066 N/A THR 372.A OG1 THR 376.A OG1 no hydrogen 2.504 N/A LEU 374.A N GLU 367.A OE2 no hydrogen 3.068 N/A THR 376.A N PRO 373.A O no hydrogen 3.063 N/A THR 376.A OG1 THR 372.A OG1 no hydrogen 2.504 N/A THR 376.A OG1 PRO 373.A O no hydrogen 2.702 N/A SER 378.A N VAL 594.A O no hydrogen 2.874 N/A LEU 379.A N VAL 236.A O no hydrogen 3.236 N/A HIS 381.A N SER 378.A OG no hydrogen 3.044 N/A TRP 382.A N SER 378.A O no hydrogen 2.812 N/A GLN 384.A N HIS 381.A O no hydrogen 3.050 N/A GLN 384.A NE2 ARG 635.A O no hydrogen 3.031 N/A ASP 386.A N ASP 383.A O no hydrogen 3.408 N/A PHE 388.A N ASP 385.A O no hydrogen 3.299 N/A GLU 389.A N ASP 386.A O no hydrogen 3.432 N/A THR 391.A N GLY 168.A O no hydrogen 3.348 N/A LEU 395.A N VAL 164.A O no hydrogen 2.934 N/A THR 396.A N ALA 184.A O no hydrogen 3.032 N/A THR 396.A OG1 ALA 184.A O no hydrogen 3.358 N/A ARG 398.A N GLU 182.A O no hydrogen 2.870 N/A ASN 399.A ND2 ASN 180.A O no hydrogen 2.741 N/A GLY 400.A N VAL 397.A O no hydrogen 3.325 N/A TYR 401.A N ASP 158.A OD1 no hydrogen 3.123 N/A TYR 401.A N ASP 158.A OD2 no hydrogen 3.413 N/A SER 402.A N THR 149.A OG1 no hydrogen 2.948 N/A CYS 403.A N GLY 400.A O no hydrogen 3.240 N/A CYS 403.A SG GLY 400.A O no hydrogen 3.211 N/A CYS 403.A SG TYR 401.A O no hydrogen 4.039 N/A VAL 404.A N TYR 401.A O no hydrogen 2.957 N/A VAL 406.A N SER 402.A O no hydrogen 3.077 N/A ALA 407.A N CYS 403.A O no hydrogen 3.021 N/A LEU 408.A N VAL 404.A O no hydrogen 2.851 N/A ALA 409.A N VAL 406.A O no hydrogen 3.293 N/A GLU 410.A N ALA 407.A O no hydrogen 3.355 N/A LEU 412.A N ALA 409.A O no hydrogen 3.137 N/A LYS 415.A N LEU 136.A O no hydrogen 2.754 N/A LYS 415.A NZ ASP 413.A OD1 no hydrogen 3.131 N/A ASN 417.A N ARG 140.A O no hydrogen 2.956 N/A THR 418.A N GLU 138.A O no hydrogen 2.716 N/A THR 418.A OG1 LYS 415.A O no hydrogen 3.229 N/A THR 418.A OG1 LEU 416.A O no hydrogen 2.873 N/A ALA 419.A N VAL 435.A O no hydrogen 2.920 N/A ARG 421.A N ILE 433.A O no hydrogen 2.688 N/A GLN 422.A N ILE 433.A O no hydrogen 3.034 N/A GLN 422.A NE2 GLN 468.A OE1 no hydrogen 3.376 N/A VAL 423.A N GLN 468.A O no hydrogen 2.914 N/A ARG 424.A N GLU 431.A O no hydrogen 2.850 N/A ARG 424.A NE GLN 422.A OE1 no hydrogen 2.758 N/A ARG 424.A NH2 GLN 422.A OE1 no hydrogen 3.531 N/A TYR 425.A N VAL 470.A O no hydrogen 3.035 N/A TYR 425.A OH PRO 471.A O no hydrogen 2.680 N/A THR 426.A N GLY 429.A O no hydrogen 2.810 N/A THR 426.A OG1 GLY 429.A O no hydrogen 3.009 N/A GLY 429.A N THR 426.A O no hydrogen 3.363 N/A CYS 430.A N CYS 448.A O no hydrogen 2.674 N/A CYS 430.A SG ARG 625.A O no hydrogen 3.941 N/A GLU 431.A N ARG 424.A O no hydrogen 2.862 N/A VAL 432.A N TYR 446.A O no hydrogen 2.778 N/A ILE 433.A N GLN 422.A O no hydrogen 2.836 N/A ALA 434.A N PHE 444.A O no hydrogen 2.971 N/A VAL 435.A N ALA 419.A O no hydrogen 2.988 N/A ASN 436.A N GLN 442.A O no hydrogen 3.197 N/A ASN 436.A ND2 GLN 442.A OE1 no hydrogen 3.450 N/A THR 437.A N ASN 417.A O no hydrogen 3.005 N/A ARG 438.A N ASN 436.A OD1 no hydrogen 2.828 N/A ARG 438.A NE ASN 436.A OD1 no hydrogen 2.963 N/A GLN 442.A N SER 439.A O no hydrogen 3.111 N/A THR 443.A OG1 SER 441.A O no hydrogen 3.280 N/A PHE 444.A N ALA 434.A O no hydrogen 2.672 N/A TYR 446.A N VAL 432.A O no hydrogen 2.972 N/A CYS 448.A N CYS 430.A O no hydrogen 2.772 N/A CYS 448.A SG CYS 430.A O no hydrogen 3.805 N/A CYS 448.A SG ALA 450.A O no hydrogen 3.375 N/A ASP 449.A N LYS 110.A O no hydrogen 2.912 N/A ALA 450.A N LYS 110.A O no hydrogen 3.407 N/A VAL 451.A N ARG 625.A O no hydrogen 3.004 N/A LEU 452.A N ILE 112.A O no hydrogen 2.908 N/A CYS 453.A N PHE 627.A O no hydrogen 2.726 N/A THR 454.A N ILE 114.A O no hydrogen 3.163 N/A THR 454.A OG1 ILE 114.A O no hydrogen 2.534 N/A VAL 459.A N PRO 456.A O no hydrogen 2.928 N/A LEU 460.A N PRO 456.A O no hydrogen 3.107 N/A LYS 461.A N LEU 457.A O no hydrogen 2.846 N/A LYS 461.A NZ VAL 481.A O no hydrogen 2.774 N/A LYS 461.A NZ MET 484.A O no hydrogen 2.672 N/A GLN 462.A N VAL 459.A O no hydrogen 3.021 N/A GLN 468.A N ARG 421.A O no hydrogen 2.943 N/A VAL 470.A N VAL 423.A O no hydrogen 2.781 N/A LYS 477.A N PRO 474.A O no hydrogen 2.902 N/A LYS 477.A NZ LEU 605.A O no hydrogen 2.899 N/A LYS 477.A NZ MET 606.A O no hydrogen 2.862 N/A LYS 477.A NZ GLN 608.A O no hydrogen 2.797 N/A THR 478.A N PRO 474.A O no hydrogen 3.060 N/A THR 478.A OG1 PRO 474.A O no hydrogen 3.546 N/A THR 478.A OG1 GLU 475.A O no hydrogen 3.230 N/A SER 479.A N GLU 475.A O no hydrogen 2.882 N/A SER 479.A OG GLU 475.A O no hydrogen 3.099 N/A VAL 481.A N LYS 477.A O no hydrogen 3.207 N/A GLN 482.A N THR 478.A O no hydrogen 2.966 N/A ARG 483.A N SER 479.A O no hydrogen 3.006 N/A ARG 483.A NE ASP 602.A OD1 no hydrogen 3.248 N/A ARG 483.A NE ASP 602.A OD2 no hydrogen 3.133 N/A ARG 483.A NH2 ASP 602.A OD1 no hydrogen 2.588 N/A MET 484.A N ALA 480.A O no hydrogen 2.817 N/A GLY 485.A N TYR 593.A O no hydrogen 3.267 N/A GLY 487.A N TYR 591.A O no hydrogen 2.758 N/A ASN 488.A N ALA 371.A O no hydrogen 2.635 N/A ASN 488.A ND2 GLU 546.A OE2 no hydrogen 3.305 N/A ASN 490.A N VAL 537.A O no hydrogen 3.011 N/A ASN 490.A ND2 ALA 542.A O no hydrogen 3.663 N/A ASN 490.A ND2 GLU 546.A OE2 no hydrogen 3.043 N/A LYS 491.A N SER 579.A OG no hydrogen 2.925 N/A LYS 491.A NZ GLY 160.A O no hydrogen 2.561 N/A VAL 492.A N ALA 535.A O no hydrogen 2.797 N/A VAL 493.A N VAL 577.A O no hydrogen 2.796 N/A LEU 494.A N LEU 533.A O no hydrogen 2.761 N/A CYS 495.A N GLU 575.A O no hydrogen 2.848 N/A PHE 496.A N PRO 531.A O no hydrogen 3.032 N/A SER 504.A N ASP 502.A OD1 no hydrogen 3.153 N/A SER 504.A OG ASP 502.A OD1 no hydrogen 2.803 N/A VAL 505.A N ASP 502.A O no hydrogen 3.272 N/A PHE 508.A N PHE 524.A O no hydrogen 3.142 N/A GLY 509.A N PRO 191.A O no hydrogen 2.921 N/A HIS 510.A N PHE 522.A O no hydrogen 2.773 N/A VAL 511.A N TYR 193.A O no hydrogen 2.792 N/A THR 514.A OG1 SER 517.A OG no hydrogen 3.073 N/A THR 515.A OG1 ASP 360.A OD1 no hydrogen 3.519 N/A THR 515.A OG1 ASP 360.A OD2 no hydrogen 2.716 N/A SER 517.A OG THR 514.A OG1 no hydrogen 3.073 N/A ARG 518.A N THR 515.A O no hydrogen 3.312 N/A ARG 518.A NE GLU 367.A OE1 no hydrogen 3.007 N/A ARG 518.A NH1 ASP 360.A OD1 no hydrogen 3.276 N/A ARG 518.A NH2 GLU 367.A OE2 no hydrogen 2.701 N/A GLU 520.A N SER 517.A O no hydrogen 3.154 N/A PHE 524.A N PHE 508.A O no hydrogen 2.916 N/A TRP 525.A N LEU 534.A O no hydrogen 2.758 N/A ASN 526.A N ASN 506.A O no hydrogen 2.661 N/A ASN 526.A ND2 PRO 503.A O no hydrogen 3.568 N/A ASN 526.A ND2 VAL 505.A O no hydrogen 2.840 N/A TYR 528.A OH ASP 158.A OD2 no hydrogen 2.699 N/A LEU 533.A N LEU 494.A O no hydrogen 2.935 N/A LEU 534.A N TRP 525.A O no hydrogen 3.085 N/A ALA 535.A N VAL 492.A O no hydrogen 2.833 N/A LEU 536.A N LEU 523.A O no hydrogen 2.938 N/A VAL 537.A N ASN 490.A O no hydrogen 2.922 N/A ALA 538.A N GLY 519.A O no hydrogen 2.827 N/A ALA 542.A N GLY 539.A O no hydrogen 3.020 N/A MET 545.A N ALA 541.A O no hydrogen 2.825 N/A ASN 547.A N ILE 544.A O no hydrogen 2.995 N/A ILE 548.A N MET 545.A O no hydrogen 3.044 N/A ILE 553.A N SER 549.A O no hydrogen 3.134 N/A VAL 554.A N ASP 550.A O no hydrogen 2.803 N/A GLY 555.A N ASP 551.A O no hydrogen 2.971 N/A ARG 556.A N VAL 552.A O no hydrogen 3.074 N/A CYS 557.A N ILE 553.A O no hydrogen 3.058 N/A CYS 557.A SG ILE 553.A O no hydrogen 3.424 N/A LEU 558.A N VAL 554.A O no hydrogen 2.950 N/A ALA 559.A N GLY 555.A O no hydrogen 2.923 N/A ILE 560.A N ARG 556.A O no hydrogen 3.037 N/A LEU 561.A N CYS 557.A O no hydrogen 3.062 N/A LYS 562.A N LEU 558.A O no hydrogen 2.695 N/A LYS 562.A NZ SER 567.A O no hydrogen 3.518 N/A LYS 562.A NZ VAL 570.A O no hydrogen 3.251 N/A GLY 563.A N ALA 559.A O no hydrogen 3.176 N/A ILE 564.A N LEU 561.A O no hydrogen 3.095 N/A PHE 565.A N LEU 561.A O no hydrogen 2.917 N/A GLY 566.A N LYS 562.A O no hydrogen 2.979 N/A ALA 569.A N GLY 566.A O no hydrogen 3.136 N/A LYS 574.A N CYS 495.A O no hydrogen 2.808 N/A LYS 574.A NZ ASP 497.A OD2 no hydrogen 2.809 N/A GLU 575.A N CYS 495.A O no hydrogen 3.492 N/A VAL 577.A N VAL 493.A O no hydrogen 3.161 N/A SER 579.A N LYS 491.A O no hydrogen 3.129 N/A SER 579.A OG ASN 490.A OD1 no hydrogen 2.900 N/A SER 579.A OG LYS 491.A O no hydrogen 3.545 N/A ARG 580.A NE GLU 546.A O no hydrogen 3.027 N/A ARG 580.A NH1 ASP 550.A OD1 no hydrogen 2.755 N/A ARG 580.A NH2 ILE 548.A O no hydrogen 2.661 N/A ARG 580.A NH2 ASP 550.A OD1 no hydrogen 3.083 N/A TRP 581.A N ASN 490.A OD1 no hydrogen 3.005 N/A TRP 581.A NE1 LEU 159.A O no hydrogen 2.935 N/A ARG 582.A N GLU 546.A OE2 no hydrogen 2.845 N/A ARG 582.A NH1 PHE 486.A O no hydrogen 2.815 N/A ARG 582.A NH1 ARG 588.A O no hydrogen 2.829 N/A ARG 582.A NH2 PHE 486.A O no hydrogen 2.797 N/A ALA 583.A N GLU 546.A OE1 no hydrogen 2.977 N/A ASP 584.A N ARG 580.A O no hydrogen 3.128 N/A TRP 586.A N ASP 584.A OD1 no hydrogen 2.892 N/A ALA 587.A N ASP 584.A O no hydrogen 3.079 N/A ARG 588.A N ASP 584.A O no hydrogen 2.727 N/A GLY 589.A N TRP 581.A O no hydrogen 2.894 N/A SER 590.A N GLY 487.A O no hydrogen 2.838 N/A TYR 591.A OH ALA 369.A O no hydrogen 3.005 N/A SER 592.A N GLU 631.A OE2 no hydrogen 2.844 N/A SER 592.A OG GLU 631.A OE2 no hydrogen 2.296 N/A TYR 593.A N GLY 485.A O no hydrogen 2.917 N/A ALA 596.A N THR 376.A O no hydrogen 2.950 N/A SER 598.A N ALA 595.A O no hydrogen 2.953 N/A SER 598.A OG SER 599.A O no hydrogen 3.522 N/A SER 598.A OG ASP 602.A OD2 no hydrogen 2.745 N/A ASN 601.A N SER 599.A OG no hydrogen 3.179 N/A ASP 602.A N SER 599.A O no hydrogen 3.230 N/A TYR 603.A N GLY 600.A O no hydrogen 3.327 N/A LEU 605.A N ASN 601.A O no hydrogen 3.037 N/A MET 606.A N ASP 602.A O no hydrogen 2.897 N/A ALA 607.A N TYR 603.A O no hydrogen 3.154 N/A ALA 607.A N ASP 604.A O no hydrogen 3.106 N/A GLN 608.A N ASP 604.A O no hydrogen 3.235 N/A GLN 608.A N LEU 605.A O no hydrogen 3.294 N/A ILE 610.A N LEU 626.A O no hydrogen 2.705 N/A ALA 619.A N ILE 616.A O no hydrogen 3.168 N/A ARG 625.A N ILE 610.A O no hydrogen 3.020 N/A ARG 625.A NH1 ASP 449.A O no hydrogen 2.800 N/A ARG 625.A NH2 ALA 427.A O no hydrogen 2.773 N/A LEU 626.A N ILE 610.A O no hydrogen 3.190 N/A PHE 627.A N VAL 451.A O no hydrogen 2.773 N/A ALA 629.A N CYS 453.A O no hydrogen 3.095 N/A GLY 630.A N SER 647.A OG no hydrogen 2.774 N/A THR 633.A N GLY 630.A O no hydrogen 2.775 N/A THR 633.A OG1 GLY 630.A O no hydrogen 2.518 N/A ARG 635.A NH1 ASP 604.A OD2 no hydrogen 2.753 N/A THR 640.A OG1 TYR 637.A O no hydrogen 2.757 N/A GLY 643.A N THR 640.A OG1 no hydrogen 3.009 N/A ALA 644.A N THR 640.A O no hydrogen 3.377 N/A LEU 645.A N VAL 641.A O no hydrogen 2.833 N/A LEU 646.A N HIS 642.A O no hydrogen 2.711 N/A SER 647.A N GLY 643.A O no hydrogen 2.816 N/A SER 647.A OG ALA 644.A O no hydrogen 2.709 N/A GLY 648.A N ALA 644.A O no hydrogen 3.047 N/A LEU 649.A N LEU 645.A O no hydrogen 3.223 N/A ARG 650.A N LEU 646.A O no hydrogen 2.957 N/A ARG 650.A NE GLU 651.A OE2 no hydrogen 2.468 N/A ARG 650.A NH1 THR 633.A O no hydrogen 2.817 N/A ARG 650.A NH2 PHE 628.A O no hydrogen 3.077 N/A ARG 650.A NH2 THR 633.A OG1 no hydrogen 3.007 N/A ARG 650.A NH2 GLU 651.A OE2 no hydrogen 2.951 N/A GLU 651.A N SER 647.A O no hydrogen 3.098 N/A ALA 652.A N GLY 648.A O no hydrogen 2.994 N/A GLY 653.A N LEU 649.A O no hydrogen 3.242 N/A ARG 654.A N ARG 650.A O no hydrogen 3.056 N/A ARG 654.A NE GLU 651.A OE1 no hydrogen 3.119 N/A ARG 654.A NH2 GLU 651.A OE1 no hydrogen 3.419 N/A ARG 654.A NH2 GLU 651.A OE2 no hydrogen 2.848 N/A ILE 655.A N GLU 651.A O no hydrogen 2.744 N/A ALA 656.A N ALA 652.A O no hydrogen 2.987 N/A ASP 657.A N GLY 653.A O no hydrogen 2.943 N/A GLN 658.A N ARG 654.A O no hydrogen 3.155 N/A PHE 659.A N ILE 655.A O no hydrogen 2.830 N/A LEU 660.A N ALA 656.A O no hydrogen 2.666 N/A GLY 661.A N ASP 657.A O no hydrogen 3.225 N/A TYR 664.A OH ASP 657.A OD1 no hydrogen 2.860 N/A THR 665.A N ALA 662.A O no hydrogen 3.477 N/A THR 665.A OG1 ALA 662.A O no hydrogen 2.876 N/A