Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pan_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 6.A OD2 no hydrogen 3.324 N/A ARG 3.A NH1 ASP 6.A OD2 no hydrogen 3.240 N/A ARG 3.A NH2 SER 32.A OG no hydrogen 3.039 N/A ALA 4.A N ALA 161.A O no hydrogen 3.023 N/A VAL 5.A N GLN 159.A O no hydrogen 3.262 N/A ALA 7.A N ARG 3.A O no hydrogen 3.117 N/A ALA 8.A N ALA 4.A O no hydrogen 3.032 N/A VAL 10.A N ALA 7.A O no hydrogen 3.135 N/A LEU 11.A N ALA 8.A O no hydrogen 2.928 N/A LYS 13.A N TYR 9.A O no hydrogen 2.956 N/A LYS 13.A NZ PRO 167.A O no hydrogen 2.733 N/A GLY 15.A N GLU 12.A O no hydrogen 3.102 N/A ILE 16.A N LEU 11.A O no hydrogen 2.955 N/A THR 17.A OG1 THR 18.A OG1 no hydrogen 3.423 N/A THR 18.A OG1 THR 17.A OG1 no hydrogen 3.423 N/A THR 18.A OG1 TYR 56.A OH no hydrogen 3.298 N/A ALA 19.A N ARG 40.A O no hydrogen 2.914 N/A PHE 20.A N VAL 66.A O no hydrogen 2.917 N/A GLY 21.A N ILE 42.A O no hydrogen 3.079 N/A VAL 22.A N LEU 68.A O no hydrogen 2.975 N/A ILE 27.A N GLY 24.A O no hydrogen 3.037 N/A ASN 28.A N ALA 25.A O no hydrogen 3.299 N/A PHE 30.A N GLN 159.A OE1 no hydrogen 3.252 N/A TYR 31.A N ILE 27.A O no hydrogen 3.325 N/A TYR 31.A OH HIS 41.A NE2 no hydrogen 2.836 N/A SER 32.A N ASN 28.A O no hydrogen 2.836 N/A ALA 33.A N PRO 29.A O no hydrogen 3.010 N/A LYS 35.A N SER 32.A O no hydrogen 3.083 N/A HIS 36.A N ALA 33.A O no hydrogen 2.948 N/A HIS 36.A ND1 GLY 37.A O no hydrogen 3.106 N/A ARG 40.A N THR 17.A O no hydrogen 2.949 N/A ILE 42.A N ALA 19.A O no hydrogen 2.858 N/A ALA 44.A N GLY 21.A O no hydrogen 3.099 N/A ARG 45.A N GLU 437.A OE2 no hydrogen 3.084 N/A ARG 45.A NH2 GLN 443.A OE1 no hydrogen 2.938 N/A ALA 50.A N HIS 46.A O no hydrogen 3.059 N/A SER 51.A N VAL 47.A O no hydrogen 2.922 N/A SER 51.A OG VAL 47.A O no hydrogen 2.722 N/A SER 51.A OG GLU 48.A O no hydrogen 2.964 N/A HIS 52.A N GLU 48.A O no hydrogen 3.042 N/A HIS 52.A ND1 GLU 54.A OE1 no hydrogen 2.773 N/A HIS 52.A NE2 GLU 48.A OE2 no hydrogen 3.026 N/A GLU 54.A N SER 51.A O no hydrogen 3.192 N/A GLY 55.A N HIS 52.A O no hydrogen 3.077 N/A TYR 56.A OH THR 18.A OG1 no hydrogen 3.298 N/A THR 57.A N ALA 53.A O no hydrogen 3.005 N/A THR 57.A OG1 ALA 53.A O no hydrogen 3.380 N/A THR 57.A OG1 PRO 90.A O no hydrogen 2.757 N/A ARG 58.A N GLU 54.A O no hydrogen 2.974 N/A ARG 58.A NH1 ASP 87.A OD2 no hydrogen 3.271 N/A ARG 58.A NH2 GLU 54.A OE2 no hydrogen 3.127 N/A ARG 58.A NH2 ASP 87.A OD2 no hydrogen 3.079 N/A ALA 59.A N GLY 55.A O no hydrogen 3.025 N/A ASN 63.A N THR 60.A O no hydrogen 3.001 N/A ASN 63.A ND2 TYR 56.A O no hydrogen 2.948 N/A GLY 65.A N THR 57.A OG1 no hydrogen 2.746 N/A CYS 67.A N LEU 92.A O no hydrogen 2.811 N/A LEU 68.A N PHE 20.A O no hydrogen 2.827 N/A GLY 69.A N ILE 94.A O no hydrogen 3.028 N/A SER 71.A OG GLN 109.A O no hydrogen 2.987 N/A ALA 74.A N SER 71.A O no hydrogen 3.452 N/A GLY 75.A N GLY 72.A O no hydrogen 3.172 N/A THR 76.A OG1 PRO 73.A O no hydrogen 3.080 N/A ASP 77.A N PRO 73.A O no hydrogen 3.104 N/A ASP 77.A N ALA 74.A O no hydrogen 3.282 N/A TYR 82.A N ILE 78.A O no hydrogen 2.920 N/A SER 83.A N THR 79.A O no hydrogen 2.951 N/A SER 83.A OG GLU 54.A OE1 no hydrogen 3.521 N/A SER 83.A OG GLU 54.A OE2 no hydrogen 2.606 N/A ALA 84.A N ALA 80.A O no hydrogen 2.836 N/A SER 85.A N LEU 81.A O no hydrogen 2.932 N/A SER 85.A OG LEU 81.A O no hydrogen 3.020 N/A SER 85.A OG VAL 120.A O no hydrogen 2.695 N/A ALA 86.A N TYR 82.A O no hydrogen 2.839 N/A ASP 87.A N SER 83.A O no hydrogen 3.219 N/A SER 88.A N SER 85.A O no hydrogen 3.021 N/A ILE 89.A N ALA 84.A O no hydrogen 2.959 N/A LEU 92.A N GLY 65.A O no hydrogen 2.945 N/A CYS 93.A N VAL 150.A O no hydrogen 2.972 N/A ILE 94.A N CYS 67.A O no hydrogen 2.839 N/A THR 95.A N VAL 152.A O no hydrogen 2.899 N/A THR 95.A OG1 ASP 153.A OD2 no hydrogen 2.806 N/A GLY 96.A N GLY 69.A O no hydrogen 3.022 N/A ARG 100.A N ASP 157.A OD1 no hydrogen 3.285 N/A ARG 100.A NE ASP 157.A OD2 no hydrogen 3.033 N/A ARG 100.A NH1 ARG 127.A O no hydrogen 2.817 N/A ARG 100.A NH1 GLU 128.A OE2 no hydrogen 2.964 N/A ARG 100.A NH2 ASP 157.A OD2 no hydrogen 3.372 N/A ARG 102.A N PRO 99.A O no hydrogen 3.059 N/A LEU 103.A N ARG 100.A O no hydrogen 3.277 N/A ASP 107.A N LYS 105.A O no hydrogen 2.771 N/A ALA 110.A N ASP 107.A O no hydrogen 2.966 N/A ALA 115.A N ASP 112.A OD1 no hydrogen 3.426 N/A ILE 116.A N ASP 112.A O no hydrogen 3.315 N/A ALA 117.A N ILE 113.A O no hydrogen 2.910 N/A LYS 118.A N GLU 114.A O no hydrogen 3.230 N/A LYS 118.A NZ GLU 114.A O no hydrogen 3.263 N/A LYS 118.A NZ ALA 123.A O no hydrogen 3.105 N/A VAL 120.A N ALA 117.A O no hydrogen 3.078 N/A SER 121.A OG ALA 117.A O no hydrogen 2.939 N/A LYS 122.A N PRO 149.A O no hydrogen 2.953 N/A LYS 122.A NZ LEU 142.A O no hydrogen 2.891 N/A LYS 122.A NZ ARG 146.A O no hydrogen 2.987 N/A VAL 124.A N LEU 151.A O no hydrogen 3.140 N/A THR 125.A N GLU 114.A OE1 no hydrogen 3.234 N/A THR 125.A OG1 GLU 114.A OE2 no hydrogen 3.433 N/A THR 125.A OG1 ASP 153.A OD1 no hydrogen 2.946 N/A VAL 126.A N ASP 153.A O no hydrogen 2.922 N/A LEU 131.A N GLU 128.A O no hydrogen 3.048 N/A VAL 132.A N ALA 129.A O no hydrogen 3.055 N/A ARG 134.A NH1 GLN 137.A OE1 no hydrogen 3.045 N/A VAL 135.A N LEU 131.A O no hydrogen 2.810 N/A LEU 136.A N VAL 132.A O no hydrogen 3.330 N/A GLN 137.A N PRO 133.A O no hydrogen 2.983 N/A GLN 137.A NE2 GLU 170.A O no hydrogen 3.023 N/A GLN 138.A N ARG 134.A O no hydrogen 2.897 N/A ALA 139.A N VAL 135.A O no hydrogen 2.765 N/A PHE 140.A N LEU 136.A O no hydrogen 3.085 N/A HIS 141.A N GLN 137.A O no hydrogen 3.468 N/A LEU 142.A N GLN 138.A O no hydrogen 3.146 N/A ARG 143.A NH2 GLU 14.A O no hydrogen 3.250 N/A ARG 143.A NH2 GLU 14.A OE2 no hydrogen 2.794 N/A SER 144.A N HIS 141.A O no hydrogen 2.904 N/A SER 144.A OG HIS 141.A O no hydrogen 2.721 N/A GLY 145.A N TYR 175.A O no hydrogen 3.012 N/A ARG 146.A NE SER 88.A OG no hydrogen 2.884 N/A ARG 146.A NH2 SER 88.A OG no hydrogen 3.374 N/A VAL 150.A N ILE 91.A O no hydrogen 3.035 N/A VAL 152.A N CYS 93.A O no hydrogen 2.759 N/A ASP 153.A N VAL 124.A O no hydrogen 2.886 N/A LEU 154.A N THR 95.A O no hydrogen 2.835 N/A PHE 156.A N GLN 97.A O no hydrogen 2.831 N/A GLN 159.A N PRO 155.A O no hydrogen 3.080 N/A GLN 159.A NE2 ALA 26.A O no hydrogen 2.890 N/A GLN 159.A NE2 LEU 154.A O no hydrogen 3.033 N/A VAL 160.A N PHE 156.A O no hydrogen 3.320 N/A PHE 165.A N ALA 1.A O no hydrogen 3.039 N/A TYR 169.A OH GLU 14.A OE1 no hydrogen 2.611 N/A TYR 175.A N SER 144.A OG no hydrogen 2.992 N/A LYS 176.A NZ ASP 306.A OD1 no hydrogen 3.239 N/A ALA 179.A N SER 305.A OG no hydrogen 3.015 N/A SER 180.A N GLN 182.A OE1 no hydrogen 3.085 N/A ARG 181.A NH1 GLU 184.A OE2 no hydrogen 3.087 N/A ARG 181.A NH1 GLU 320.A OE1 no hydrogen 3.231 N/A ARG 181.A NH1 GLU 320.A OE2 no hydrogen 3.368 N/A ARG 181.A NH2 GLU 320.A OE2 no hydrogen 3.152 N/A ILE 183.A N SER 180.A O no hydrogen 3.232 N/A GLU 184.A N ARG 181.A O no hydrogen 2.919 N/A ALA 186.A N GLN 182.A O no hydrogen 3.085 N/A VAL 187.A N ILE 183.A O no hydrogen 2.909 N/A GLU 188.A N GLU 184.A O no hydrogen 2.848 N/A ILE 190.A N VAL 187.A O no hydrogen 2.963 N/A ALA 192.A N LEU 189.A O no hydrogen 3.159 N/A GLU 193.A N ASP 258.A OD2 no hydrogen 2.863 N/A ARG 194.A N ASP 258.A OD1 no hydrogen 3.027 N/A ARG 194.A N ASP 258.A OD2 no hydrogen 3.429 N/A ARG 194.A NH1 ALA 256.A O no hydrogen 2.744 N/A ILE 197.A N PRO 222.A O no hydrogen 2.938 N/A VAL 198.A N PHE 260.A O no hydrogen 2.977 N/A ALA 199.A N ILE 224.A O no hydrogen 2.949 N/A GLY 200.A N ILE 262.A O no hydrogen 2.935 N/A GLY 202.A N GLY 263.A O no hydrogen 2.814 N/A VAL 203.A N GLY 200.A O no hydrogen 3.007 N/A ASN 205.A N GLY 201.A O no hydrogen 2.868 N/A ASN 205.A ND2 SER 88.A O no hydrogen 2.821 N/A ALA 206.A N GLY 202.A O no hydrogen 2.910 N/A ASP 207.A N ILE 204.A O no hydrogen 3.114 N/A ALA 208.A N VAL 203.A O no hydrogen 3.036 N/A LEU 212.A N ALA 208.A O no hydrogen 3.111 N/A GLN 213.A N ALA 209.A O no hydrogen 3.083 N/A GLN 213.A NE2 GLU 217.A OE2 no hydrogen 2.775 N/A GLN 214.A N ALA 210.A O no hydrogen 2.984 N/A PHE 215.A N LEU 211.A O no hydrogen 2.920 N/A ALA 216.A N LEU 212.A O no hydrogen 2.975 N/A GLU 217.A N GLN 213.A O no hydrogen 2.883 N/A LEU 218.A N GLN 214.A O no hydrogen 2.912 N/A THR 219.A N PHE 215.A O no hydrogen 3.119 N/A THR 219.A OG1 PHE 215.A O no hydrogen 2.760 N/A THR 219.A OG1 ALA 216.A O no hydrogen 3.349 N/A SER 220.A N GLU 217.A O no hydrogen 3.374 N/A VAL 221.A N ALA 216.A O no hydrogen 3.195 N/A VAL 223.A N LEU 238.A O no hydrogen 2.721 N/A ILE 224.A N ILE 197.A O no hydrogen 2.657 N/A THR 226.A N ALA 199.A O no hydrogen 2.998 N/A TRP 229.A NE1 ASP 234.A OD1 no hydrogen 3.096 N/A TRP 229.A NE1 ASP 234.A OD2 no hydrogen 3.279 N/A CYS 231.A N GLY 228.A O no hydrogen 3.100 N/A CYS 231.A SG GLY 228.A O no hydrogen 3.317 N/A ASP 234.A N VAL 388.A O no hydrogen 3.281 N/A HIS 236.A N PRO 233.A O no hydrogen 3.005 N/A HIS 236.A NE2 GLU 217.A OE2 no hydrogen 2.848 N/A LEU 238.A N HIS 236.A ND1 no hydrogen 3.149 N/A GLY 242.A N ASN 251.A OD1 no hydrogen 2.945 N/A LEU 243.A N ARG 269.A O no hydrogen 2.798 N/A THR 245.A OG1 THR 245.A O no hydrogen 2.582 N/A ALA 246.A N GLN 244.A O no hydrogen 2.917 N/A ARG 248.A NH1 LEU 344.A O no hydrogen 3.136 N/A TYR 249.A OH GLU 564.A OE1 no hydrogen 3.362 N/A ASN 251.A N HIS 247.A O no hydrogen 3.159 N/A ASN 251.A ND2 GLY 242.A O no hydrogen 3.137 N/A ASN 251.A ND2 LEU 546.A O no hydrogen 3.120 N/A ALA 252.A N ARG 248.A O no hydrogen 3.174 N/A THR 253.A N TYR 249.A O no hydrogen 2.878 N/A THR 253.A OG1 TYR 249.A O no hydrogen 3.133 N/A LEU 254.A N GLY 250.A O no hydrogen 3.047 N/A LEU 255.A N ASN 251.A O no hydrogen 3.031 N/A ALA 256.A N ALA 252.A O no hydrogen 2.958 N/A ALA 256.A N THR 253.A O no hydrogen 3.156 N/A SER 257.A N LEU 254.A O no hydrogen 3.112 N/A SER 257.A OG LEU 254.A O no hydrogen 2.798 N/A ASP 258.A N ARG 194.A O no hydrogen 3.009 N/A VAL 259.A N LYS 282.A O no hydrogen 2.923 N/A PHE 260.A N VAL 196.A O no hydrogen 2.783 N/A GLY 261.A N VAL 284.A O no hydrogen 2.737 N/A ILE 262.A N VAL 198.A O no hydrogen 2.947 N/A GLY 263.A N ILE 286.A O no hydrogen 2.957 N/A ARG 265.A NH2 GLN 399.A OE1 no hydrogen 3.122 N/A HIS 270.A N ALA 267.A O no hydrogen 2.865 N/A HIS 270.A NE2 TYR 277.A OH no hydrogen 2.665 N/A THR 271.A N ALA 267.A O no hydrogen 3.043 N/A THR 271.A OG1 ALA 267.A O no hydrogen 3.533 N/A THR 271.A OG1 GLY 272.A O no hydrogen 2.756 N/A GLY 272.A N ASN 268.A O no hydrogen 3.137 N/A SER 273.A N GLU 545.A OE1 no hydrogen 2.783 N/A SER 273.A OG GLU 545.A OE2 no hydrogen 2.634 N/A GLU 275.A N GLU 275.A OE2 no hydrogen 2.756 N/A LYS 276.A N SER 273.A O no hydrogen 3.057 N/A LYS 276.A NZ ASP 547.A OD1 no hydrogen 2.759 N/A LYS 276.A NZ ASP 547.A OD2 no hydrogen 3.165 N/A TYR 277.A N SER 273.A O no hydrogen 3.087 N/A TYR 277.A OH HIS 270.A NE2 no hydrogen 2.665 N/A THR 278.A N VAL 274.A O no hydrogen 3.031 N/A THR 278.A OG1 VAL 274.A O no hydrogen 2.810 N/A THR 278.A OG1 GLU 275.A O no hydrogen 3.516 N/A ARG 281.A NE SER 257.A O no hydrogen 3.207 N/A ARG 281.A NE SER 257.A OG no hydrogen 3.264 N/A ARG 281.A NH1 LYS 276.A O no hydrogen 3.528 N/A ARG 281.A NH1 TYR 277.A O no hydrogen 2.988 N/A LYS 282.A N ASP 258.A O no hydrogen 3.086 N/A ILE 283.A N ASP 300.A OD2 no hydrogen 2.853 N/A VAL 284.A N VAL 259.A O no hydrogen 2.934 N/A HIS 285.A NE2 ASN 264.A O no hydrogen 2.631 N/A ILE 286.A N GLY 261.A O no hydrogen 2.803 N/A ASP 287.A N ILE 303.A O no hydrogen 3.114 N/A GLU 289.A N ASP 287.A OD1 no hydrogen 2.970 N/A GLN 292.A N GLU 289.A O no hydrogen 3.048 N/A ILE 293.A N PRO 290.A O no hydrogen 3.117 N/A ARG 295.A NH1 GLN 292.A OE1 no hydrogen 2.767 N/A CYS 298.A SG PRO 299.A O no hydrogen 3.898 N/A ASP 300.A N ILE 283.A O no hydrogen 2.846 N/A LEU 301.A N ILE 283.A O no hydrogen 3.368 N/A ILE 303.A N HIS 285.A O no hydrogen 2.730 N/A SER 305.A N ASP 287.A O no hydrogen 2.792 N/A SER 305.A OG ASP 306.A O no hydrogen 2.789 N/A ASP 306.A N PRO 177.A O no hydrogen 2.839 N/A LYS 308.A N ASP 306.A OD2 no hydrogen 3.033 N/A ALA 309.A N ASP 306.A OD2 no hydrogen 3.176 N/A ALA 310.A N ASP 306.A O no hydrogen 3.105 N/A LEU 311.A N ALA 307.A O no hydrogen 2.992 N/A THR 312.A N LYS 308.A O no hydrogen 3.015 N/A THR 312.A OG1 LYS 308.A O no hydrogen 3.006 N/A LEU 313.A N ALA 309.A O no hydrogen 3.286 N/A LEU 314.A N ALA 310.A O no hydrogen 2.867 N/A VAL 315.A N LEU 311.A O no hydrogen 2.931 N/A GLU 316.A N THR 312.A O no hydrogen 3.153 N/A VAL 317.A N LEU 313.A O no hydrogen 2.779 N/A ALA 318.A N LEU 314.A O no hydrogen 2.909 N/A GLN 319.A N VAL 315.A O no hydrogen 2.956 N/A GLU 320.A N GLU 316.A O no hydrogen 3.218 N/A LYS 322.A N GLN 319.A O no hydrogen 3.146 N/A ALA 323.A N GLU 320.A O no hydrogen 3.233 N/A ARG 329.A NH1 ALA 192.A O no hydrogen 2.822 N/A ARG 329.A NH2 ALA 192.A O no hydrogen 3.130 N/A TRP 332.A NE1 PRO 195.A O no hydrogen 2.959 N/A VAL 333.A N ARG 329.A O no hydrogen 3.104 N/A ALA 334.A N LYS 330.A O no hydrogen 2.997 N/A ASP 335.A N GLU 331.A O no hydrogen 3.076 N/A CYS 336.A N TRP 332.A O no hydrogen 3.169 N/A CYS 336.A SG TRP 332.A O no hydrogen 3.381 N/A GLN 337.A N VAL 333.A O no hydrogen 3.188 N/A GLN 337.A NE2 GLU 237.A O no hydrogen 2.678 N/A GLN 338.A N ALA 334.A O no hydrogen 2.962 N/A ARG 339.A N ASP 335.A O no hydrogen 3.201 N/A ARG 339.A NH1 THR 253.A OG1 no hydrogen 3.296 N/A LYS 340.A N CYS 336.A O no hydrogen 3.128 N/A LYS 340.A NZ ASP 234.A O no hydrogen 3.411 N/A ARG 341.A N GLN 337.A O no hydrogen 3.190 N/A ARG 341.A N GLN 338.A O no hydrogen 3.370 N/A THR 342.A N ARG 339.A O no hydrogen 3.187 N/A THR 342.A OG1 GLN 338.A O no hydrogen 2.912 N/A THR 342.A OG1 ARG 339.A O no hydrogen 3.569 N/A LEU 343.A N ARG 339.A O no hydrogen 2.980 N/A LEU 344.A N ALA 555.A O no hydrogen 2.962 N/A ARG 345.A NE GLU 550.A OE2 no hydrogen 2.968 N/A ARG 345.A NH1 ALA 246.A O no hydrogen 2.903 N/A ARG 345.A NH2 GLU 550.A OE1 no hydrogen 3.234 N/A LYS 346.A N ASP 553.A O no hydrogen 3.142 N/A THR 347.A N ASP 560.A O no hydrogen 2.825 N/A THR 347.A OG1 GLU 361.A OE1 no hydrogen 2.656 N/A THR 347.A OG1 ASP 560.A O no hydrogen 3.309 N/A HIS 348.A N ASP 560.A O no hydrogen 3.024 N/A HIS 348.A ND1 GLU 361.A OE2 no hydrogen 2.814 N/A PHE 349.A N THR 347.A O no hydrogen 3.055 N/A LYS 355.A NZ GLU 536.A OE1 no hydrogen 2.723 N/A LYS 355.A NZ GLU 552.A OE2 no hydrogen 2.554 N/A GLN 357.A N GLN 357.A OE1 no hydrogen 2.760 N/A ARG 358.A N LYS 355.A O no hydrogen 3.055 N/A ARG 358.A NE GLU 362.A OE2 no hydrogen 3.126 N/A ARG 358.A NH1 PHE 349.A O no hydrogen 3.246 N/A ARG 358.A NH1 ASP 350.A OD1 no hydrogen 3.100 N/A ARG 358.A NH2 GLU 362.A OE2 no hydrogen 3.093 N/A VAL 359.A N PRO 356.A O no hydrogen 2.985 N/A GLU 362.A N ARG 358.A O no hydrogen 3.223 N/A ASN 363.A ND2 THR 563.A OG1 no hydrogen 3.146 N/A LYS 364.A N GLU 361.A O no hydrogen 3.269 N/A LYS 364.A NZ GLU 361.A OE2 no hydrogen 3.094 N/A LYS 364.A NZ GLU 362.A OE2 no hydrogen 3.426 N/A ALA 365.A N GLU 362.A O no hydrogen 2.921 N/A ARG 368.A NH1 ASP 235.A OD2 no hydrogen 2.908 N/A ARG 368.A NH1 TYR 569.A O no hydrogen 3.235 N/A ARG 368.A NH2 ASP 235.A OD1 no hydrogen 3.192 N/A ARG 368.A NH2 ASP 235.A OD2 no hydrogen 3.123 N/A VAL 370.A N GLY 367.A O no hydrogen 3.255 N/A CYS 371.A N ASN 421.A O no hydrogen 2.956 N/A CYS 371.A SG ARG 392.A O no hydrogen 3.770 N/A TYR 372.A N HIS 393.A O no hydrogen 2.990 N/A VAL 373.A N VAL 423.A O no hydrogen 3.011 N/A THR 374.A N ILE 395.A O no hydrogen 3.116 N/A THR 374.A OG1 ILE 425.A O no hydrogen 2.976 N/A THR 375.A N THR 374.A OG1 no hydrogen 2.773 N/A THR 375.A OG1 THR 406.A OG1 no hydrogen 2.600 N/A ILE 381.A N GLY 377.A O no hydrogen 2.965 N/A ALA 382.A N LEU 378.A O no hydrogen 3.117 N/A ALA 383.A N SER 379.A O no hydrogen 3.272 N/A ALA 384.A N GLN 380.A O no hydrogen 2.886 N/A GLN 385.A N ILE 381.A O no hydrogen 3.086 N/A GLN 385.A N ALA 382.A O no hydrogen 3.212 N/A HIS 387.A N ASN 363.A OD1 no hydrogen 3.287 N/A HIS 387.A ND1 ASP 234.A OD2 no hydrogen 2.984 N/A VAL 388.A N ASP 234.A OD2 no hydrogen 3.256 N/A ARG 392.A NH1 ARG 58.A O no hydrogen 2.998 N/A ARG 392.A NH2 ILE 204.A O no hydrogen 3.040 N/A HIS 393.A ND1 VAL 370.A O no hydrogen 2.845 N/A ILE 395.A N TYR 372.A O no hydrogen 2.880 N/A ASN 396.A ND2 GLN 380.A OE1 no hydrogen 3.129 N/A GLN 399.A N ASP 87.A OD1 no hydrogen 3.227 N/A GLY 401.A N CYS 397.A O no hydrogen 3.057 N/A GLY 404.A N ASP 430.A OD1 no hydrogen 2.764 N/A TRP 405.A N PRO 402.A O no hydrogen 3.258 N/A TRP 405.A NE1 GLU 54.A OE1 no hydrogen 3.307 N/A TRP 405.A NE1 GLU 54.A OE2 no hydrogen 3.264 N/A THR 406.A OG1 THR 375.A OG1 no hydrogen 2.600 N/A THR 406.A OG1 ASP 430.A OD2 no hydrogen 2.525 N/A ALA 409.A N TRP 405.A O no hydrogen 2.983 N/A ALA 410.A N THR 406.A O no hydrogen 3.017 N/A LEU 411.A N ILE 407.A O no hydrogen 3.059 N/A GLY 412.A N PRO 408.A O no hydrogen 2.915 N/A VAL 413.A N ALA 409.A O no hydrogen 3.054 N/A CYS 414.A N ALA 410.A O no hydrogen 3.037 N/A CYS 414.A SG ALA 410.A O no hydrogen 3.416 N/A CYS 414.A SG PRO 447.A O no hydrogen 3.665 N/A ALA 415.A N LEU 411.A O no hydrogen 2.956 N/A ALA 416.A N GLY 412.A O no hydrogen 2.996 N/A ASP 417.A N VAL 413.A O no hydrogen 2.929 N/A LYS 419.A N ASP 417.A OD1 no hydrogen 3.014 N/A ARG 420.A N ASP 417.A O no hydrogen 3.074 N/A ARG 420.A NE ASP 417.A OD2 no hydrogen 3.031 N/A ARG 420.A NH1 ALA 59.A O no hydrogen 3.186 N/A ARG 420.A NH2 ALA 59.A O no hydrogen 3.347 N/A ARG 420.A NH2 THR 60.A OG1 no hydrogen 3.250 N/A ARG 420.A NH2 ASP 417.A OD2 no hydrogen 3.292 N/A ASN 421.A ND2 ASP 369.A OD2 no hydrogen 3.465 N/A VAL 422.A N ARG 420.A O no hydrogen 3.052 N/A VAL 423.A N CYS 371.A O no hydrogen 2.894 N/A ALA 424.A N ILE 449.A O no hydrogen 2.870 N/A ILE 425.A N VAL 373.A O no hydrogen 2.946 N/A SER 426.A N VAL 451.A O no hydrogen 2.987 N/A SER 426.A OG ASP 430.A OD2 no hydrogen 2.670 N/A SER 426.A OG HIS 450.A NE2 no hydrogen 2.818 N/A PHE 431.A N GLY 427.A O no hydrogen 3.076 N/A GLN 432.A N ASP 428.A O no hydrogen 3.171 N/A GLN 432.A N PHE 429.A O no hydrogen 3.219 N/A GLN 432.A NE2 HIS 492.A NE2 no hydrogen 3.032 N/A PHE 433.A N PHE 429.A O no hydrogen 3.288 N/A ILE 435.A N GLN 432.A O no hydrogen 3.256 N/A GLU 437.A N LEU 434.A O no hydrogen 3.239 N/A LEU 438.A N ILE 435.A O no hydrogen 3.264 N/A ALA 439.A N GLU 436.A O no hydrogen 3.020 N/A VAL 440.A N GLU 437.A O no hydrogen 3.037 N/A GLY 441.A N GLU 437.A O no hydrogen 3.481 N/A ALA 442.A N LEU 438.A O no hydrogen 3.069 N/A GLN 443.A N ALA 439.A O no hydrogen 2.867 N/A PHE 444.A N VAL 440.A O no hydrogen 3.059 N/A ASN 445.A ND2 ARG 526.A O no hydrogen 2.966 N/A ILE 446.A N GLY 441.A O no hydrogen 3.103 N/A ILE 446.A N PHE 444.A O no hydrogen 3.204 N/A TYR 448.A OH HIS 450.A ND1 no hydrogen 2.554 N/A ILE 449.A N VAL 422.A O no hydrogen 3.329 N/A HIS 450.A N VAL 529.A O no hydrogen 2.933 N/A HIS 450.A ND1 TYR 448.A OH no hydrogen 2.554 N/A HIS 450.A NE2 SER 426.A OG no hydrogen 2.818 N/A VAL 451.A N ALA 424.A O no hydrogen 2.734 N/A LEU 452.A N VAL 531.A O no hydrogen 2.853 N/A VAL 453.A N SER 426.A O no hydrogen 2.907 N/A ASN 454.A N VAL 533.A O no hydrogen 2.952 N/A ASN 454.A ND2 GLU 532.A OE2 no hydrogen 2.857 N/A ALA 456.A N ASN 454.A OD1 no hydrogen 2.971 N/A TYR 457.A OH ASP 470.A OD1 no hydrogen 3.360 N/A TYR 457.A OH ASP 470.A OD2 no hydrogen 2.883 N/A LEU 458.A N VAL 473.A O no hydrogen 2.707 N/A ARG 462.A N LEU 458.A O no hydrogen 2.975 N/A GLN 463.A N GLY 459.A O no hydrogen 3.009 N/A GLN 463.A NE2 ILE 541.A O no hydrogen 2.695 N/A SER 464.A N LEU 460.A O no hydrogen 2.967 N/A SER 464.A OG ILE 461.A O no hydrogen 2.775 N/A GLN 465.A N ILE 461.A O no hydrogen 2.904 N/A GLN 465.A N ARG 462.A O no hydrogen 3.179 N/A ARG 466.A N GLN 463.A O no hydrogen 3.236 N/A PHE 468.A N GLN 465.A O no hydrogen 3.052 N/A ASP 469.A N ARG 466.A O no hydrogen 2.855 N/A LEU 475.A N ALA 456.A O no hydrogen 3.013 N/A ASN 479.A ND2 GLY 489.A O no hydrogen 2.886 N/A ASN 481.A N ASN 479.A OD1 no hydrogen 3.003 N/A SER 482.A N ASN 479.A O no hydrogen 3.093 N/A SER 482.A OG ASP 491.A OD2 no hydrogen 2.836 N/A ASN 486.A N SER 483.A O no hydrogen 2.850 N/A TYR 488.A N VAL 485.A O no hydrogen 3.074 N/A TYR 488.A OH LEU 535.A O no hydrogen 2.588 N/A HIS 492.A ND1 GLU 532.A OE2 no hydrogen 2.746 N/A LYS 494.A N ASP 491.A OD1 no hydrogen 3.321 N/A LYS 494.A NZ SER 482.A OG no hydrogen 3.012 N/A VAL 495.A N ASP 491.A O no hydrogen 3.084 N/A ALA 496.A N HIS 492.A O no hydrogen 2.931 N/A GLU 497.A N VAL 493.A O no hydrogen 3.002 N/A GLY 498.A N LYS 494.A O no hydrogen 2.970 N/A LEU 499.A N VAL 495.A O no hydrogen 3.047 N/A GLY 500.A N GLU 497.A O no hydrogen 2.951 N/A CYS 501.A N ALA 496.A O no hydrogen 2.962 N/A CYS 501.A SG LEU 438.A O no hydrogen 3.462 N/A LYS 502.A N PRO 528.A O no hydrogen 3.321 N/A ILE 504.A N VAL 530.A O no hydrogen 2.827 N/A ARG 505.A NH1 ASP 491.A OD1 no hydrogen 3.238 N/A ARG 505.A NH1 GLU 532.A OE1 no hydrogen 2.801 N/A ARG 505.A NH2 ASP 491.A OD1 no hydrogen 3.123 N/A VAL 506.A N GLU 532.A O no hydrogen 2.791 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.785 N/A ASP 511.A N LYS 508.A O no hydrogen 3.096 N/A ILE 512.A N PRO 509.A O no hydrogen 3.284 N/A ALA 515.A N ASP 511.A O no hydrogen 3.221 N/A PHE 516.A N ILE 512.A O no hydrogen 3.130 N/A GLU 517.A N ALA 513.A O no hydrogen 3.257 N/A GLN 518.A N PRO 514.A O no hydrogen 2.887 N/A ALA 519.A N ALA 515.A O no hydrogen 2.825 N/A LYS 520.A N PHE 516.A O no hydrogen 3.057 N/A LYS 520.A NZ ALA 365.A O no hydrogen 2.738 N/A LYS 520.A NZ GLU 517.A OE1 no hydrogen 3.023 N/A ALA 521.A N GLU 517.A O no hydrogen 3.208 N/A LEU 522.A N GLN 518.A O no hydrogen 3.029 N/A GLN 524.A N ALA 521.A O no hydrogen 3.295 N/A TYR 525.A N LEU 522.A O no hydrogen 2.941 N/A VAL 529.A N TYR 448.A O no hydrogen 2.995 N/A VAL 530.A N LYS 502.A O no hydrogen 2.842 N/A VAL 531.A N HIS 450.A O no hydrogen 2.855 N/A GLU 532.A N ILE 504.A O no hydrogen 2.742 N/A VAL 533.A N LEU 452.A O no hydrogen 2.793 N/A ILE 534.A N VAL 506.A O no hydrogen 3.052 N/A LEU 535.A N ASN 454.A O no hydrogen 2.830 N/A GLU 536.A N VAL 354.A O no hydrogen 2.868 N/A ARG 537.A NH2 GLN 474.A OE1 no hydrogen 2.901 N/A THR 539.A OG1 GLU 536.A OE1 no hydrogen 2.583 N/A ILE 541.A N GLN 463.A OE1 no hydrogen 2.990 N/A SER 542.A OG GLU 550.A OE2 no hydrogen 2.616 N/A GLY 543.A N LEU 243.A O no hydrogen 3.110 N/A ASN 548.A N GLU 545.A O no hydrogen 3.031 N/A ALA 555.A N LEU 344.A O no hydrogen 2.905 N/A THR 565.A OG1 ASP 234.A O no hydrogen 3.241 N/A PHE 567.A N GLU 564.A O no hydrogen 2.909 N/A TYR 569.A OH THR 563.A O no hydrogen 2.673 N/A