Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ILE 1.A O no hydrogen 2.848 N/A LEU 5.A N ILE 1.A O no hydrogen 3.134 N/A LEU 6.A N GLU 2.A O no hydrogen 2.904 N/A ASP 7.A N ASP 3.A O no hydrogen 3.198 N/A LEU 8.A N VAL 4.A O no hydrogen 3.111 N/A LYS 9.A N LEU 5.A O no hydrogen 2.892 N/A LYS 9.A NZ THR 23.A O no hydrogen 2.742 N/A HIS 10.A N LEU 6.A O no hydrogen 2.733 N/A LYS 11.A N ASP 7.A O no hydrogen 3.180 N/A ILE 12.A N LEU 8.A O no hydrogen 2.777 N/A GLU 13.A N LYS 9.A O no hydrogen 2.876 N/A LYS 14.A N LYS 11.A O no hydrogen 3.066 N/A ASN 15.A N ILE 12.A O no hydrogen 3.120 N/A LEU 16.A N ILE 12.A O no hydrogen 2.994 N/A VAL 20.A N PRO 17.A O no hydrogen 3.189 N/A THR 21.A OG1 GLU 38.A OE1 no hydrogen 2.851 N/A THR 23.A N TYR 35.A O no hydrogen 2.745 N/A THR 23.A OG1 ASP 65.A OD1 no hydrogen 2.749 N/A GLU 26.A N VAL 33.A O no hydrogen 3.082 N/A GLU 28.A N GLN 31.A O no hydrogen 2.917 N/A GLY 29.A N LEU 161.A O no hydrogen 2.882 N/A GLN 31.A N GLU 28.A O no hydrogen 3.134 N/A LEU 32.A N ARG 59.A O no hydrogen 3.186 N/A VAL 33.A N GLU 26.A O no hydrogen 2.672 N/A LEU 34.A N ALA 61.A O no hydrogen 3.033 N/A TYR 35.A N ASP 24.A O no hydrogen 2.771 N/A TYR 35.A OH GLU 28.A OE2 no hydrogen 2.394 N/A THR 36.A N ARG 63.A O no hydrogen 3.021 N/A THR 36.A OG1 THR 21.A O no hydrogen 2.731 N/A GLU 38.A N THR 36.A OG1 no hydrogen 3.159 N/A ARG 40.A NE ASP 44.A OD2 no hydrogen 3.423 N/A LYS 41.A N GLU 38.A O no hydrogen 2.982 N/A LYS 41.A NZ GLY 19.A O no hydrogen 2.800 N/A LYS 41.A NZ GLU 38.A OE2 no hydrogen 3.538 N/A PHE 42.A N PRO 39.A O no hydrogen 2.857 N/A ALA 43.A N PRO 39.A O no hydrogen 2.969 N/A ASP 44.A N ARG 40.A O no hydrogen 2.950 N/A ASP 45.A N LYS 41.A O no hydrogen 3.432 N/A ASN 47.A N ASP 45.A OD1 no hydrogen 3.282 N/A ARG 50.A N GLY 46.A O no hydrogen 3.407 N/A ARG 50.A NH1 ASN 47.A OD1 no hydrogen 2.765 N/A ASN 51.A N ASN 47.A O no hydrogen 3.305 N/A ASN 51.A ND2 ASN 47.A O no hydrogen 2.812 N/A LEU 52.A N ILE 48.A O no hydrogen 3.351 N/A ALA 53.A N ILE 49.A O no hydrogen 2.903 N/A LYS 54.A N ARG 50.A O no hydrogen 3.452 N/A GLU 55.A N ASN 51.A O no hydrogen 2.878 N/A LEU 56.A N LEU 52.A O no hydrogen 2.858 N/A THR 58.A N ALA 53.A O no hydrogen 3.214 N/A THR 58.A OG1 ARG 59.A O no hydrogen 3.229 N/A ARG 59.A NE VAL 311.A O no hydrogen 2.537 N/A ARG 59.A NH2 VAL 311.A O no hydrogen 3.278 N/A ALA 61.A N LEU 32.A O no hydrogen 3.157 N/A ARG 63.A N LEU 34.A O no hydrogen 2.784 N/A ARG 63.A NH1 PRO 96.A O no hydrogen 3.472 N/A ARG 63.A NH2 PRO 96.A O no hydrogen 3.145 N/A ASP 65.A N THR 36.A O no hydrogen 2.777 N/A ARG 67.A N ASP 65.A OD2 no hydrogen 3.065 N/A ARG 67.A NE ASP 65.A OD2 no hydrogen 2.567 N/A ARG 67.A NH2 ASP 65.A OD1 no hydrogen 2.906 N/A VAL 68.A N ASP 65.A O no hydrogen 2.793 N/A LEU 69.A N PRO 66.A O no hydrogen 2.928 N/A ALA 70.A N ILE 126.A O no hydrogen 3.162 N/A SER 75.A N THR 71.A O no hydrogen 2.930 N/A SER 75.A OG THR 71.A O no hydrogen 2.909 N/A ILE 76.A N PRO 72.A O no hydrogen 2.837 N/A SER 77.A N GLU 73.A O no hydrogen 3.390 N/A SER 77.A OG GLU 73.A O no hydrogen 3.241 N/A ILE 78.A N ASP 74.A O no hydrogen 2.877 N/A ILE 79.A N SER 75.A O no hydrogen 2.743 N/A GLU 80.A N ILE 76.A O no hydrogen 2.965 N/A GLU 81.A N SER 77.A O no hydrogen 3.151 N/A VAL 82.A N ILE 78.A O no hydrogen 3.084 N/A VAL 83.A N ILE 79.A O no hydrogen 2.867 N/A SER 87.A N PRO 84.A O no hydrogen 2.992 N/A SER 87.A OG PRO 84.A O no hydrogen 2.566 N/A SER 90.A N GLU 104.A O no hydrogen 2.741 N/A TYR 92.A OH GLU 80.A OE2 no hydrogen 3.189 N/A TYR 93.A N ILE 102.A O no hydrogen 3.038 N/A ASP 95.A N GLU 100.A O no hydrogen 3.126 N/A ASP 97.A N ASP 95.A OD1 no hydrogen 2.770 N/A SER 98.A OG ASP 95.A OD2 no hydrogen 2.858 N/A SER 98.A OG GLU 100.A OE2 no hydrogen 2.991 N/A VAL 101.A N ILE 129.A O no hydrogen 2.750 N/A ILE 102.A N TYR 93.A O no hydrogen 3.019 N/A ILE 103.A N LYS 131.A O no hydrogen 3.014 N/A GLU 104.A N SER 91.A O no hydrogen 3.135 N/A ALA 105.A N VAL 133.A O no hydrogen 3.039 N/A GLU 106.A N VAL 88.A O no hydrogen 3.052 N/A LYS 107.A N SER 87.A O no hydrogen 3.101 N/A LEU 110.A N LYS 107.A O no hydrogen 3.427 N/A ILE 112.A N PRO 108.A O no hydrogen 3.390 N/A GLY 113.A N GLY 109.A O no hydrogen 3.204 N/A THR 118.A N ILE 112.A O no hydrogen 3.218 N/A LEU 119.A N ILE 112.A O no hydrogen 3.401 N/A ARG 120.A N GLY 116.A O no hydrogen 2.964 N/A ARG 120.A N ALA 117.A O no hydrogen 3.236 N/A GLU 121.A N ALA 117.A O no hydrogen 3.093 N/A ILE 122.A N THR 118.A O no hydrogen 3.016 N/A THR 123.A N LEU 119.A O no hydrogen 3.168 N/A THR 123.A OG1 LEU 119.A O no hydrogen 3.100 N/A THR 123.A OG1 TRP 128.A O no hydrogen 3.459 N/A LYS 124.A N ARG 120.A O no hydrogen 2.956 N/A GLN 125.A N GLU 121.A O no hydrogen 3.194 N/A ILE 126.A N ILE 122.A O no hydrogen 2.855 N/A GLY 127.A N THR 123.A O no hydrogen 2.700 N/A TRP 128.A N ILE 126.A O no hydrogen 2.831 N/A TRP 128.A NE1 ALA 70.A O no hydrogen 2.800 N/A ILE 129.A N GLY 99.A O no hydrogen 3.037 N/A LYS 131.A N VAL 101.A O no hydrogen 2.794 N/A VAL 133.A N ILE 103.A O no hydrogen 2.978 N/A THR 135.A N ALA 105.A O no hydrogen 3.018 N/A SER 140.A OG GLU 440.A OE2 no hydrogen 2.703 N/A ARG 141.A N GLU 440.A OE1 no hydrogen 3.337 N/A THR 142.A N GLU 440.A OE2 no hydrogen 2.905 N/A THR 142.A OG1 GLU 440.A OE2 no hydrogen 2.658 N/A VAL 143.A N SER 140.A OG no hydrogen 3.209 N/A LYS 144.A N SER 140.A O no hydrogen 3.300 N/A ASN 145.A N ARG 141.A O no hydrogen 2.972 N/A ILE 146.A N THR 142.A O no hydrogen 2.933 N/A ARG 147.A N VAL 143.A O no hydrogen 3.053 N/A ARG 147.A NH1 GLU 104.A OE2 no hydrogen 3.039 N/A GLU 148.A N LYS 144.A O no hydrogen 3.086 N/A PHE 149.A N ASN 145.A O no hydrogen 3.010 N/A MET 150.A N ILE 146.A O no hydrogen 2.875 N/A ARG 151.A N ARG 147.A O no hydrogen 3.191 N/A ARG 151.A NE PHE 94.A O no hydrogen 3.253 N/A ARG 151.A NH2 PHE 94.A O no hydrogen 3.398 N/A ASN 152.A N GLU 148.A O no hydrogen 3.043 N/A ASN 153.A N MET 150.A O no hydrogen 3.201 N/A ASN 153.A ND2 PHE 149.A O no hydrogen 2.764 N/A LEU 154.A N ARG 151.A O no hydrogen 3.398 N/A ARG 157.A N ASN 153.A O no hydrogen 3.073 N/A ARG 157.A NE ASP 97.A OD1 no hydrogen 2.995 N/A ARG 157.A NH1 LYS 301.A O no hydrogen 2.654 N/A ARG 157.A NH1 THR 303.A O no hydrogen 2.938 N/A ARG 157.A NH2 ASP 97.A OD2 no hydrogen 2.865 N/A ARG 157.A NH2 THR 303.A O no hydrogen 2.896 N/A LYS 158.A N LEU 154.A O no hydrogen 3.020 N/A GLU 159.A N LYS 155.A O no hydrogen 3.235 N/A ILE 160.A N GLU 156.A O no hydrogen 2.860 N/A LEU 161.A N ARG 157.A O no hydrogen 2.984 N/A LYS 162.A N LYS 158.A O no hydrogen 2.972 N/A LYS 162.A NZ GLU 159.A OE1 no hydrogen 3.560 N/A THR 163.A N GLU 159.A O no hydrogen 3.016 N/A THR 163.A OG1 GLU 159.A O no hydrogen 3.195 N/A VAL 164.A N ILE 160.A O no hydrogen 2.978 N/A GLY 165.A N LEU 161.A O no hydrogen 2.872 N/A ARG 166.A N LYS 162.A O no hydrogen 3.001 N/A LYS 167.A N THR 163.A O no hydrogen 3.271 N/A LYS 167.A NZ ASN 231.A O no hydrogen 3.272 N/A ILE 168.A N VAL 164.A O no hydrogen 3.077 N/A HIS 169.A N GLY 165.A O no hydrogen 3.207 N/A HIS 169.A ND1 GLY 165.A O no hydrogen 2.938 N/A ARG 170.A N LYS 167.A O no hydrogen 3.308 N/A ARG 170.A NH1 LYS 167.A O no hydrogen 2.612 N/A ARG 170.A NH1 ASP 234.A OD2 no hydrogen 3.092 N/A ARG 170.A NH2 GLU 201.A O no hydrogen 2.763 N/A ARG 170.A NH2 ASP 234.A OD2 no hydrogen 2.664 N/A THR 173.A N GLU 201.A OE1 no hydrogen 3.001 N/A THR 173.A N GLU 201.A OE2 no hydrogen 3.142 N/A THR 173.A OG1 GLU 201.A OE1 no hydrogen 3.269 N/A SER 174.A N GLU 201.A OE2 no hydrogen 2.765 N/A ASP 176.A N SER 174.A OG no hydrogen 3.009 N/A VAL 179.A N LEU 605.A OXT no hydrogen 3.161 N/A ARG 180.A N SER 198.A O no hydrogen 3.120 N/A VAL 181.A N VAL 602.A O no hydrogen 2.893 N/A THR 182.A N LEU 196.A O no hydrogen 2.783 N/A THR 182.A OG1 THR 601.A OG1 no hydrogen 2.577 N/A ALA 183.A N GLU 600.A O no hydrogen 3.148 N/A LEU 184.A N CYS 194.A O no hydrogen 2.927 N/A GLY 186.A N GLU 189.A OE2 no hydrogen 2.860 N/A CYS 187.A N ASN 598.A OD1 no hydrogen 3.258 N/A LYS 188.A NZ LEU 596.A O no hydrogen 3.029 N/A LYS 188.A NZ THR 597.A OG1 no hydrogen 2.893 N/A ARG 192.A N VAL 210.A O no hydrogen 2.927 N/A ARG 192.A NE GLU 189.A OE1 no hydrogen 3.374 N/A ARG 192.A NE GLU 189.A OE2 no hydrogen 3.025 N/A ARG 192.A NH1 THR 219.A O no hydrogen 2.857 N/A ARG 192.A NH2 GLU 189.A OE1 no hydrogen 3.025 N/A ARG 192.A NH2 GLU 189.A OE2 no hydrogen 3.518 N/A CYS 194.A N GLY 185.A O no hydrogen 3.250 N/A CYS 194.A SG ASP 207.A O no hydrogen 3.462 N/A PHE 195.A N ILE 206.A O no hydrogen 2.933 N/A LEU 196.A N THR 182.A O no hydrogen 2.717 N/A LEU 197.A N ILE 204.A O no hydrogen 2.748 N/A SER 198.A N ARG 180.A O no hydrogen 2.908 N/A THR 199.A N SER 202.A O no hydrogen 2.735 N/A THR 199.A OG1 ASP 317.A OD2 no hydrogen 2.761 N/A GLU 201.A N THR 199.A OG1 no hydrogen 3.154 N/A SER 202.A N THR 199.A O no hydrogen 3.378 N/A SER 202.A N THR 199.A OG1 no hydrogen 2.987 N/A SER 202.A OG ASP 317.A OD1 no hydrogen 2.816 N/A ARG 203.A N ASP 234.A OD1 no hydrogen 3.503 N/A ARG 203.A NE GLN 232.A O no hydrogen 2.809 N/A ILE 204.A N LEU 197.A O no hydrogen 2.753 N/A LEU 205.A N ALA 235.A O no hydrogen 2.859 N/A ILE 206.A N PHE 195.A O no hydrogen 2.791 N/A ASP 207.A N ILE 237.A O no hydrogen 2.621 N/A CYS 208.A N HIS 245.A O no hydrogen 2.776 N/A GLY 209.A N SER 193.A O no hydrogen 2.764 N/A VAL 210.A N LEU 243.A O no hydrogen 3.100 N/A ASN 211.A ND2 ASP 215.A O no hydrogen 2.847 N/A SER 214.A OG GLY 519.A O no hydrogen 3.469 N/A MET 218.A N ASP 215.A OD1 no hydrogen 3.078 N/A THR 219.A OG1 PRO 220.A O no hydrogen 2.677 N/A TYR 221.A N LEU 184.A O no hydrogen 2.867 N/A LEU 222.A N PRO 220.A O no hydrogen 2.717 N/A TYR 223.A OH.A TYR 255.A OH no hydrogen 2.620 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.573 N/A VAL 227.A N VAL 224.A O no hydrogen 2.863 N/A PHE 228.A N VAL 224.A O no hydrogen 3.044 N/A GLN 232.A N PRO 229.A O no hydrogen 2.904 N/A GLN 232.A NE2 PRO 225.A O no hydrogen 3.596 N/A GLN 232.A NE2 PRO 229.A O no hydrogen 3.278 N/A ILE 233.A N LEU 230.A O no hydrogen 3.149 N/A ASP 234.A N ARG 203.A O no hydrogen 2.873 N/A VAL 236.A N PRO 260.A O no hydrogen 3.096 N/A ILE 237.A N LEU 205.A O no hydrogen 2.755 N/A VAL 238.A N TYR 262.A O no hydrogen 3.006 N/A THR 239.A N ASP 207.A OD1 no hydrogen 2.843 N/A THR 239.A OG1 ASP 207.A OD1 no hydrogen 3.262 N/A THR 239.A OG1 ASP 207.A OD2 no hydrogen 2.888 N/A THR 239.A OG1 HIS 240.A ND1 no hydrogen 3.034 N/A HIS 240.A ND1 THR 239.A OG1 no hydrogen 3.034 N/A HIS 240.A NE2 HIS 242.A ND1 no hydrogen 2.998 N/A HIS 242.A ND1 HIS 240.A NE2 no hydrogen 2.998 N/A HIS 242.A NE2 VAL 408.A O no hydrogen 3.109 N/A HIS 245.A N HIS 242.A O no hydrogen 2.766 N/A HIS 245.A ND1 ASP 207.A OD2 no hydrogen 2.860 N/A GLN 246.A N HIS 242.A O no hydrogen 3.166 N/A GLN 246.A NE2 ALA 241.A O no hydrogen 2.672 N/A GLY 247.A N LEU 243.A O no hydrogen 2.940 N/A LEU 248.A N CYS 208.A O no hydrogen 2.911 N/A VAL 249.A N GLN 246.A O no hydrogen 2.928 N/A LEU 251.A N LEU 248.A O no hydrogen 2.824 N/A LEU 252.A N LEU 248.A O no hydrogen 3.434 N/A LEU 252.A N VAL 249.A O no hydrogen 3.156 N/A LYS 254.A N PRO 250.A O no hydrogen 3.077 N/A LYS 254.A NZ PRO 290.A O no hydrogen 3.481 N/A TYR 255.A N LEU 251.A O no hydrogen 2.974 N/A TYR 255.A OH TYR 223.A OH.A no hydrogen 2.620 N/A GLY 256.A N PHE 253.A O no hydrogen 3.156 N/A TYR 257.A N LEU 252.A O no hydrogen 3.011 N/A TYR 257.A OH PRO 260.A O no hydrogen 2.639 N/A VAL 261.A N HIS 302.A O no hydrogen 2.948 N/A TYR 262.A N VAL 236.A O no hydrogen 2.767 N/A CYS 263.A SG THR 264.A O no hydrogen 3.448 N/A THR 264.A OG1 THR 267.A OG1 no hydrogen 2.736 N/A THR 264.A OG1 GLY 330.A O no hydrogen 2.644 N/A THR 267.A OG1 THR 264.A OG1 no hydrogen 2.736 N/A THR 267.A OG1 GLY 330.A O no hydrogen 3.330 N/A ARG 268.A N THR 264.A O no hydrogen 3.072 N/A ARG 268.A NE ASP 269.A OD1 no hydrogen 3.370 N/A ASP 269.A N PRO 265.A O no hydrogen 3.365 N/A LEU 270.A N PRO 266.A O no hydrogen 2.994 N/A MET 271.A N THR 267.A O no hydrogen 2.736 N/A VAL 272.A N ARG 268.A O no hydrogen 3.170 N/A LEU 273.A N ASP 269.A O no hydrogen 3.225 N/A LEU 274.A N LEU 270.A O no hydrogen 2.799 N/A GLN 275.A N MET 271.A O no hydrogen 2.941 N/A GLN 275.A NE2 GLN 246.A O no hydrogen 3.213 N/A GLN 275.A NE2 GLN 246.A OE1 no hydrogen 2.642 N/A LEU 276.A N VAL 272.A O no hydrogen 3.112 N/A ASP 277.A N LEU 273.A O no hydrogen 3.116 N/A TYR 278.A N LEU 274.A O no hydrogen 2.856 N/A ILE 279.A N GLN 275.A O no hydrogen 3.220 N/A ASP 280.A N LEU 276.A O no hydrogen 3.046 N/A VAL 281.A N ASP 277.A O no hydrogen 2.914 N/A ALA 282.A N TYR 278.A O no hydrogen 2.930 N/A ALA 283.A N ILE 279.A O no hydrogen 3.227 N/A ALA 283.A N ASP 280.A O no hydrogen 3.117 N/A LYS 284.A N ASP 280.A O no hydrogen 3.253 N/A GLU 285.A N VAL 281.A O no hydrogen 2.967 N/A GLY 286.A N ALA 282.A O no hydrogen 3.065 N/A LYS 287.A N ALA 282.A O no hydrogen 2.967 N/A LYS 287.A NZ GLU 285.A OE1 no hydrogen 3.236 N/A TYR 291.A OH GLY 247.A O no hydrogen 2.566 N/A MET 295.A N GLU 292.A O no hydrogen 3.076 N/A VAL 296.A N SER 293.A O no hydrogen 2.970 N/A ALA 297.A N SER 293.A O no hydrogen 3.140 N/A LYS 298.A N GLY 294.A O no hydrogen 3.125 N/A THR 299.A N MET 295.A O no hydrogen 3.010 N/A THR 299.A OG1 MET 295.A O no hydrogen 2.742 N/A LEU 300.A N VAL 296.A O no hydrogen 2.999 N/A LYS 301.A N ALA 297.A O no hydrogen 2.962 N/A LYS 301.A NZ GLU 156.A OE1 no hydrogen 2.564 N/A HIS 302.A N LYS 298.A O no hydrogen 3.231 N/A HIS 302.A N THR 299.A O no hydrogen 3.126 N/A HIS 302.A ND1 LYS 298.A O no hydrogen 2.788 N/A THR 303.A N LEU 300.A O no hydrogen 3.078 N/A THR 303.A OG1 THR 299.A O no hydrogen 2.703 N/A ILE 304.A N VAL 261.A O no hydrogen 2.719 N/A LEU 306.A N CYS 263.A O no hydrogen 2.913 N/A ASP 307.A N GLU 310.A OE1 no hydrogen 3.469 N/A TYR 308.A OH SER 331.A O no hydrogen 2.826 N/A GLU 309.A N PHE 322.A O no hydrogen 2.800 N/A GLU 310.A N ASP 307.A O no hydrogen 3.429 N/A THR 312.A N LEU 320.A O no hydrogen 3.011 N/A THR 312.A OG1 GLU 310.A O no hydrogen 2.778 N/A ILE 314.A N ILE 318.A O no hydrogen 3.098 N/A ILE 318.A N ALA 315.A O no hydrogen 3.262 N/A LYS 319.A N HIS 337.A O no hydrogen 2.885 N/A LEU 320.A N THR 312.A O no hydrogen 2.803 N/A THR 321.A N HIS 335.A O no hydrogen 2.875 N/A HIS 323.A N ILE 333.A O no hydrogen 3.000 N/A ASN 324.A ND2 ASP 360.A O no hydrogen 2.762 N/A ASN 324.A ND2 PRO 361.A O no hydrogen 3.031 N/A ALA 325.A N SER 331.A O no hydrogen 3.201 N/A HIS 327.A N SER 331.A OG no hydrogen 2.974 N/A HIS 327.A ND1 GLY 547.A O no hydrogen 2.745 N/A HIS 327.A NE2 HIS 242.A ND1 no hydrogen 3.076 N/A ILE 328.A N SER 331.A OG no hydrogen 3.244 N/A SER 331.A N ILE 328.A O no hydrogen 2.623 N/A SER 331.A OG ILE 328.A O no hydrogen 3.063 N/A ALA 332.A N THR 239.A O no hydrogen 2.906 N/A ILE 333.A N HIS 323.A O no hydrogen 2.860 N/A SER 334.A N PHE 347.A O no hydrogen 2.860 N/A HIS 335.A N THR 321.A O no hydrogen 2.916 N/A HIS 335.A NE2 ARG 368.A O no hydrogen 2.880 N/A PHE 336.A N VAL 345.A O no hydrogen 2.997 N/A HIS 337.A N LYS 319.A O no hydrogen 2.731 N/A HIS 337.A ND1 ASN 344.A OD1 no hydrogen 3.002 N/A ILE 338.A N HIS 343.A O no hydrogen 2.806 N/A GLY 339.A N ASP 317.A O no hydrogen 2.783 N/A LEU 342.A N ILE 338.A O no hydrogen 2.984 N/A HIS 343.A N ILE 338.A O no hydrogen 3.336 N/A HIS 343.A NE2 THR 371.A OG1 no hydrogen 2.734 N/A ASN 344.A N GLU 370.A OE1 no hydrogen 2.932 N/A ASN 344.A ND2 GLU 370.A OE1 no hydrogen 2.972 N/A VAL 345.A N PHE 336.A O no hydrogen 3.096 N/A VAL 346.A N THR 371.A O no hydrogen 2.896 N/A PHE 347.A N SER 334.A O no hydrogen 2.840 N/A THR 348.A N ILE 373.A O no hydrogen 2.900 N/A THR 348.A OG1 GLY 349.A O no hydrogen 2.763 N/A THR 348.A OG1 ILE 373.A O no hydrogen 3.366 N/A TYR 351.A N GLU 375.A OE2 no hydrogen 2.973 N/A TYR 351.A OH SER 374.A OG no hydrogen 3.018 N/A LYS 352.A N ALA 325.A O no hydrogen 2.928 N/A LYS 352.A NZ GLN 385.A OE1 no hydrogen 3.273 N/A TYR 353.A N SER 549.A OG no hydrogen 2.893 N/A THR 356.A N PHE 359.A O no hydrogen 3.029 N/A ARG 357.A NH2 GLU 420.A OE1 no hydrogen 2.756 N/A ALA 362.A N LYS 352.A O no hydrogen 2.877 N/A VAL 363.A N ASN 324.A O no hydrogen 2.993 N/A ASN 364.A ND2 TYR 557.A O no hydrogen 2.705 N/A PHE 366.A N GLN 562.A O no hydrogen 2.882 N/A ARG 368.A NE GLU 370.A OE2 no hydrogen 2.858 N/A ARG 368.A NH2 GLY 341.A O no hydrogen 3.256 N/A ARG 368.A NH2 GLU 370.A OE1 no hydrogen 3.362 N/A ARG 368.A NH2 GLU 370.A OE2 no hydrogen 3.140 N/A GLU 370.A N ASN 344.A O no hydrogen 2.868 N/A THR 371.A N ASN 344.A O no hydrogen 3.249 N/A THR 371.A OG1 HIS 343.A NE2 no hydrogen 2.734 N/A VAL 372.A N ARG 567.A O no hydrogen 2.887 N/A ILE 373.A N VAL 346.A O no hydrogen 2.798 N/A SER 374.A N PHE 569.A O no hydrogen 2.850 N/A SER 374.A OG TYR 351.A OH no hydrogen 3.018 N/A SER 374.A OG GLU 375.A O no hydrogen 2.834 N/A GLU 375.A N THR 348.A OG1 no hydrogen 3.178 N/A ALA 376.A N HIS 572.A O no hydrogen 3.203 N/A THR 377.A N GLU 375.A OE1 no hydrogen 3.045 N/A THR 377.A OG1 GLU 375.A OE1 no hydrogen 2.490 N/A THR 377.A OG1 HIS 572.A ND1 no hydrogen 2.829 N/A THR 377.A OG1 HIS 572.A O no hydrogen 3.353 N/A TYR 378.A OH ASP 543.A OD1 no hydrogen 2.587 N/A TYR 378.A OH ASP 543.A OD2 no hydrogen 3.203 N/A GLY 379.A N ALA 376.A O no hydrogen 2.659 N/A ASN 382.A ND2 ASN 382.A O no hydrogen 2.904 N/A ALA 383.A N ASN 380.A O no hydrogen 3.057 N/A PHE 384.A N ASN 382.A O no hydrogen 3.094 N/A GLN 385.A N ASP 550.A OD2 no hydrogen 3.303 N/A GLN 385.A NE2 HIS 548.A O no hydrogen 3.683 N/A ALA 391.A N ALA 387.A O no hydrogen 2.685 N/A GLU 392.A N LEU 388.A O no hydrogen 3.118 N/A LYS 393.A N LYS 389.A O no hydrogen 3.265 N/A HIS 394.A N ASP 390.A O no hydrogen 3.132 N/A LEU 395.A N ALA 391.A O no hydrogen 2.867 N/A GLN 396.A N GLU 392.A O no hydrogen 2.866 N/A GLN 396.A NE2 SER 421.A OG no hydrogen 2.499 N/A MET 397.A N LYS 393.A O no hydrogen 2.923 N/A VAL 398.A N HIS 394.A O no hydrogen 3.025 N/A VAL 399.A N LEU 395.A O no hydrogen 3.056 N/A ILE 400.A N ASN 508.A OD1 no hydrogen 2.749 N/A ALA 401.A N CYS 481.A O no hydrogen 3.073 N/A VAL 402.A N THR 509.A O no hydrogen 2.907 N/A ILE 403.A N ILE 483.A O no hydrogen 2.872 N/A ALA 405.A N ALA 485.A O no hydrogen 2.985 N/A GLY 409.A N GLN 412.A OE1 no hydrogen 2.773 N/A ARG 410.A NH1 TYR 515.A O no hydrogen 3.043 N/A ARG 410.A NH2 TYR 515.A O no hydrogen 2.930 N/A SER 411.A OG PHE 406.A O no hydrogen 2.661 N/A SER 411.A OG ALA 407.A O no hydrogen 2.926 N/A GLN 412.A NE2 ALA 407.A O no hydrogen 2.839 N/A GLN 412.A NE2 ILE 438.A O no hydrogen 3.662 N/A GLN 412.A NE2 THR 442.A OG1 no hydrogen 3.131 N/A VAL 414.A N ARG 410.A O no hydrogen 3.181 N/A MET 415.A N SER 411.A O no hydrogen 2.931 N/A ILE 416.A N GLN 412.A O no hydrogen 3.142 N/A VAL 417.A N GLU 413.A O no hydrogen 3.299 N/A LEU 418.A N VAL 414.A O no hydrogen 2.945 N/A GLU 419.A N MET 415.A O no hydrogen 3.043 N/A GLU 420.A N ILE 416.A O no hydrogen 3.405 N/A SER 421.A N VAL 417.A O no hydrogen 2.984 N/A SER 421.A OG VAL 417.A O no hydrogen 2.429 N/A ILE 422.A N LEU 418.A O no hydrogen 2.843 N/A ARG 423.A N GLU 419.A O no hydrogen 2.903 N/A LYS 424.A N GLU 420.A O no hydrogen 2.874 N/A GLY 425.A N SER 421.A O no hydrogen 2.641 N/A LEU 426.A N SER 421.A O no hydrogen 2.661 N/A VAL 432.A N CYS 466.A O no hydrogen 3.401 N/A TYR 433.A N VAL 482.A O no hydrogen 2.806 N/A LEU 434.A N LYS 468.A O no hydrogen 3.058 N/A ASP 435.A N LEU 484.A O no hydrogen 3.100 N/A GLY 436.A N ASP 471.A OD1 no hydrogen 2.769 N/A MET 437.A N ASP 471.A OD1 no hydrogen 3.123 N/A ALA 441.A N MET 437.A O no hydrogen 3.039 N/A THR 442.A N ILE 438.A O no hydrogen 2.906 N/A THR 442.A OG1 ILE 438.A O no hydrogen 2.913 N/A ALA 443.A N TRP 439.A O no hydrogen 2.906 N/A ILE 444.A N GLU 440.A O no hydrogen 3.315 N/A HIS 445.A N THR 442.A O no hydrogen 2.888 N/A HIS 445.A ND1 ALA 441.A O no hydrogen 2.875 N/A THR 447.A N ILE 444.A O no hydrogen 3.032 N/A HIS 448.A N HIS 445.A O no hydrogen 2.915 N/A HIS 448.A NE2 ASP 269.A OD2 no hydrogen 2.968 N/A TYR 451.A N HIS 448.A O no hydrogen 3.205 N/A TYR 451.A OH ASP 307.A OD1 no hydrogen 2.543 N/A LEU 452.A N PRO 449.A O no hydrogen 3.286 N/A ASN 453.A N LEU 358.A O no hydrogen 2.829 N/A ASN 453.A ND2 ARG 357.A O no hydrogen 3.179 N/A ASN 453.A ND2 PHE 359.A O no hydrogen 3.460 N/A LEU 456.A N ASN 453.A OD1 no hydrogen 3.006 N/A ARG 457.A N ASN 453.A O no hydrogen 2.990 N/A LYS 458.A N ASN 454.A O no hydrogen 3.077 N/A LEU 459.A N ASP 455.A O no hydrogen 3.142 N/A ILE 460.A N LEU 456.A O no hydrogen 2.866 N/A SER 464.A N PRO 461.A O no hydrogen 3.208 N/A CYS 466.A N SER 464.A OG no hydrogen 3.265 N/A CYS 466.A SG SER 464.A OG no hydrogen 3.317 N/A LYS 468.A N VAL 432.A O no hydrogen 3.334 N/A VAL 470.A N LEU 434.A O no hydrogen 3.079 N/A GLN 476.A N HIS 472.A O no hydrogen 3.259 N/A LYS 477.A N ALA 474.A O no hydrogen 3.048 N/A ILE 478.A N ARG 475.A O no hydrogen 3.144 N/A CYS 481.A SG GLN 479.A O no hydrogen 3.385 N/A VAL 482.A N PRO 431.A O no hydrogen 3.198 N/A ILE 483.A N ALA 401.A O no hydrogen 3.098 N/A LEU 484.A N TYR 433.A O no hydrogen 2.976 N/A ALA 485.A N ILE 403.A O no hydrogen 3.339 N/A THR 486.A OG1 ALA 405.A O no hydrogen 3.238 N/A SER 487.A N GLY 492.A O no hydrogen 2.834 N/A SER 487.A OG ASN 491.A OD1 no hydrogen 2.607 N/A SER 487.A OG GLY 492.A O no hydrogen 3.013 N/A MET 490.A N SER 487.A O no hydrogen 2.959 N/A GLY 493.A N GLU 285.A OE2 no hydrogen 2.682 N/A VAL 495.A N THR 486.A O no hydrogen 2.998 N/A MET 496.A N GLY 493.A O no hydrogen 3.123 N/A TYR 498.A N PRO 494.A O no hydrogen 3.054 N/A PHE 499.A N VAL 495.A O no hydrogen 2.859 N/A LYS 500.A N MET 496.A O no hydrogen 2.802 N/A ALA 501.A N GLU 497.A O no hydrogen 3.289 N/A PHE 502.A N TYR 498.A O no hydrogen 3.000 N/A ALA 503.A N PHE 499.A O no hydrogen 3.151 N/A ASN 508.A N ASP 505.A O no hydrogen 3.225 N/A ASN 508.A ND2 PHE 502.A O no hydrogen 3.139 N/A THR 509.A N ILE 400.A O no hydrogen 3.225 N/A THR 509.A OG1 GLU 538.A OE2 no hydrogen 3.544 N/A LEU 510.A N GLU 538.A O no hydrogen 2.756 N/A VAL 511.A N VAL 402.A O no hydrogen 2.700 N/A PHE 512.A N GLN 540.A O no hydrogen 2.994 N/A TYR 515.A N TYR 378.A OH no hydrogen 3.240 N/A GLN 516.A NE2 GLY 488.A O no hydrogen 3.466 N/A GLN 516.A NE2 GLY 514.A O no hydrogen 3.113 N/A THR 520.A N ALA 517.A O no hydrogen 3.215 N/A THR 520.A OG1 ALA 517.A O no hydrogen 2.547 N/A GLY 522.A N MET 489.A O no hydrogen 3.148 N/A ARG 523.A N THR 520.A OG1 no hydrogen 3.231 N/A ARG 524.A N THR 520.A O no hydrogen 3.078 N/A ILE 525.A N ILE 521.A O no hydrogen 2.913 N/A GLN 526.A N GLY 522.A O no hydrogen 2.822 N/A LYS 527.A N ARG 523.A O no hydrogen 2.921 N/A LYS 527.A N ARG 524.A O no hydrogen 3.272 N/A GLY 528.A N ILE 525.A O no hydrogen 2.579 N/A TRP 529.A N ARG 524.A O no hydrogen 3.393 N/A MET 535.A N LYS 530.A O no hydrogen 2.919 N/A MET 537.A N MET 535.A O no hydrogen 3.072 N/A GLN 540.A N LEU 510.A O no hydrogen 3.083 N/A VAL 542.A N PHE 512.A O no hydrogen 2.754 N/A GLY 544.A N VAL 542.A O no hydrogen 2.872 N/A PHE 545.A N VAL 513.A O no hydrogen 2.976 N/A SER 546.A OG TYR 378.A OH no hydrogen 3.316 N/A HIS 548.A N SER 546.A OG no hydrogen 3.221 N/A HIS 548.A ND1 GLU 375.A OE1 no hydrogen 3.044 N/A HIS 548.A ND1 GLU 375.A OE2 no hydrogen 2.756 N/A SER 549.A N TYR 351.A O no hydrogen 2.915 N/A SER 549.A OG TYR 351.A O no hydrogen 3.198 N/A ASP 550.A N GLN 553.A OE1 no hydrogen 2.921 N/A ARG 551.A N ALA 383.A O no hydrogen 3.113 N/A ARG 551.A NH1 GLY 379.A O no hydrogen 3.030 N/A ARG 551.A NH1 SER 584.A OG no hydrogen 3.213 N/A ARG 551.A NH2 SER 584.A OG no hydrogen 2.652 N/A GLN 553.A N ASP 550.A OD1 no hydrogen 2.816 N/A LEU 554.A N ASP 550.A O no hydrogen 2.812 N/A MET 555.A N ARG 551.A O no hydrogen 3.221 N/A GLU 556.A N ARG 552.A O no hydrogen 2.890 N/A TYR 557.A N GLN 553.A O no hydrogen 2.963 N/A TYR 557.A OH VAL 363.A O no hydrogen 2.496 N/A VAL 558.A N LEU 554.A O no hydrogen 3.472 N/A LYS 559.A N MET 555.A O no hydrogen 2.935 N/A ARG 560.A N GLU 556.A O no hydrogen 2.965 N/A MET 561.A N VAL 558.A O no hydrogen 3.081 N/A GLN 562.A N ASN 364.A O no hydrogen 2.901 N/A GLU 566.A N GLU 370.A O no hydrogen 2.748 N/A ARG 567.A N GLU 370.A O no hydrogen 3.140 N/A ARG 567.A NE GLU 592.A OE2 no hydrogen 3.006 N/A VAL 568.A N GLU 592.A O no hydrogen 3.092 N/A PHE 569.A N VAL 372.A O no hydrogen 2.790 N/A THR 570.A N ARG 594.A O no hydrogen 3.246 N/A THR 570.A OG1 CYS 578.A O no hydrogen 2.992 N/A GLU 571.A N SER 374.A O no hydrogen 3.042 N/A HIS 572.A N GLY 186.A O no hydrogen 2.859 N/A HIS 572.A ND1 THR 377.A OG1 no hydrogen 2.829 N/A HIS 572.A ND1 HIS 572.A O no hydrogen 2.833 N/A HIS 572.A NE2 ASP 244.A OD2 no hydrogen 3.260 N/A GLY 573.A N GLU 189.A O no hydrogen 3.273 N/A ALA 577.A N ASP 574.A OD1 no hydrogen 2.974 N/A CYS 578.A N ASP 574.A O no hydrogen 3.155 N/A CYS 578.A SG GLY 573.A O no hydrogen 3.564 N/A CYS 578.A SG ASP 574.A O no hydrogen 4.011 N/A VAL 579.A N GLU 575.A O no hydrogen 3.117 N/A ASP 580.A N LYS 576.A O no hydrogen 2.892 N/A LEU 581.A N ALA 577.A O no hydrogen 3.079 N/A ALA 582.A N CYS 578.A O no hydrogen 3.163 N/A SER 583.A N VAL 579.A O no hydrogen 3.177 N/A SER 583.A OG VAL 579.A O no hydrogen 3.158 N/A SER 583.A OG ASP 580.A O no hydrogen 3.289 N/A SER 584.A N ASP 580.A O no hydrogen 2.915 N/A SER 584.A OG ASP 580.A O no hydrogen 3.042 N/A VAL 585.A N LEU 581.A O no hydrogen 2.995 N/A TYR 586.A N ALA 582.A O no hydrogen 3.102 N/A LYS 587.A N SER 583.A O no hydrogen 2.950 N/A LYS 588.A N SER 584.A O no hydrogen 2.924 N/A LEU 589.A N VAL 585.A O no hydrogen 3.036 N/A LYS 590.A N TYR 586.A O no hydrogen 3.104 N/A THR 593.A OG1 ALA 582.A O no hydrogen 2.738 N/A ARG 594.A N VAL 568.A O no hydrogen 3.260 N/A LEU 596.A N THR 570.A O no hydrogen 3.140 N/A ASN 598.A ND2 GLU 189.A OE2 no hydrogen 2.697 N/A LEU 599.A N ALA 183.A O no hydrogen 2.734 N/A GLU 600.A N THR 597.A O no hydrogen 3.179 N/A THR 601.A OG1 THR 182.A OG1 no hydrogen 2.577 N/A VAL 602.A N VAL 181.A O no hydrogen 2.859 N/A ARG 603.A NE LEU 605.A O no hydrogen 3.275 N/A ARG 603.A NE LEU 605.A OXT no hydrogen 2.829 N/A ARG 603.A NH2 LEU 605.A O no hydrogen 3.343 N/A LEU 604.A N VAL 179.A O no hydrogen 2.899 N/A LEU 605.A N VAL 179.A O no hydrogen 3.343 N/A