Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 27.A OD2 no hydrogen 3.155 N/A GLY 5.A N PHE 252.A O no hydrogen 2.779 N/A ARG 6.A N PHE 28.A O no hydrogen 2.902 N/A ARG 6.A NH1 ILE 254.A O no hydrogen 3.173 N/A ARG 6.A NH1 GLY 256.A O no hydrogen 2.824 N/A ARG 6.A NH2 GLY 256.A O no hydrogen 2.876 N/A ASP 7.A N ILE 254.A O no hydrogen 2.966 N/A LEU 8.A N CYS 30.A O no hydrogen 2.977 N/A THR 17.A N GLU 13.A O no hydrogen 2.962 N/A THR 17.A OG1 GLU 13.A O no hydrogen 3.145 N/A LEU 18.A N ILE 14.A O no hydrogen 3.101 N/A GLY 19.A N ALA 15.A O no hydrogen 3.269 N/A ALA 20.A N ASP 16.A O no hydrogen 3.153 N/A VAL 21.A N THR 17.A O no hydrogen 2.990 N/A ALA 22.A N LEU 18.A O no hydrogen 2.819 N/A LYS 23.A N GLY 19.A O no hydrogen 2.947 N/A GLN 24.A N ALA 20.A O no hydrogen 3.171 N/A GLY 25.A N ALA 22.A O no hydrogen 2.926 N/A PHE 26.A N VAL 21.A O no hydrogen 3.323 N/A ASP 27.A N SER 4.A O no hydrogen 2.729 N/A LEU 29.A N LEU 69.A O no hydrogen 2.867 N/A CYS 30.A N ARG 6.A O no hydrogen 2.731 N/A MET 31.A N VAL 71.A O no hydrogen 2.932 N/A ARG 37.A N HIS 35.A ND1 no hydrogen 3.086 N/A PHE 38.A N HIS 35.A O no hydrogen 2.997 N/A LYS 39.A N ARG 37.A O no hydrogen 2.963 N/A ARG 40.A NE GLN 97.A OE1 no hydrogen 2.795 N/A ARG 40.A NH1 GLN 97.A OE1 no hydrogen 2.933 N/A ARG 40.A NH1 GLU 98.A OE2 no hydrogen 2.918 N/A PHE 42.A N ASN 90.A OD1 no hydrogen 2.920 N/A ILE 43.A N GLU 41.A OE2 no hydrogen 3.263 N/A GLN 44.A N GLU 41.A OE2 no hydrogen 2.956 N/A LYS 48.A N GLN 44.A O no hydrogen 2.978 N/A ASN 49.A N PRO 46.A O no hydrogen 2.997 N/A ARG 50.A N ALA 47.A O no hydrogen 3.022 N/A ARG 50.A NH1 LYS 39.A O no hydrogen 2.939 N/A ARG 50.A NH2 LYS 39.A O no hydrogen 3.180 N/A GLN 54.A NE2 ARG 50.A O no hydrogen 3.313 N/A THR 55.A OG1 VAL 33.A O no hydrogen 2.642 N/A ARG 56.A N THR 55.A OG1 no hydrogen 2.644 N/A ARG 56.A NH1 VAL 11.A O no hydrogen 2.573 N/A ARG 56.A NH2 VAL 11.A O no hydrogen 3.139 N/A SER 57.A OG ASP 58.A OD1 no hydrogen 3.275 N/A LEU 59.A N SER 57.A OG no hydrogen 3.278 N/A LEU 60.A N SER 57.A O no hydrogen 3.322 N/A ASP 65.A N SER 62.A OG no hydrogen 3.129 N/A TRP 66.A N SER 62.A O no hydrogen 3.158 N/A TRP 66.A NE1 ASP 58.A O no hydrogen 2.789 N/A ASN 67.A N GLY 63.A O no hydrogen 2.913 N/A ASN 67.A ND2 GLY 106.A O no hydrogen 2.737 N/A THR 68.A N ARG 64.A O no hydrogen 2.978 N/A THR 68.A N ASP 65.A O no hydrogen 3.378 N/A THR 68.A OG1 ARG 64.A O no hydrogen 2.697 N/A LEU 69.A N ASP 65.A O no hydrogen 2.770 N/A VAL 71.A N LEU 29.A O no hydrogen 2.897 N/A GLY 72.A N ALA 109.A O no hydrogen 3.079 N/A LYS 73.A NZ ASP 7.A OD1 no hydrogen 2.955 N/A LYS 73.A NZ LEU 8.A O no hydrogen 2.979 N/A LYS 73.A NZ ASN 9.A OD1 no hydrogen 3.012 N/A LEU 74.A N LEU 111.A O no hydrogen 3.008 N/A SER 75.A N GLU 98.A OE1 no hydrogen 2.984 N/A SER 75.A OG GLU 98.A OE1 no hydrogen 3.238 N/A SER 75.A OG GLU 98.A OE2 no hydrogen 2.589 N/A ILE 78.A N SER 75.A O no hydrogen 3.210 N/A ARG 79.A N SER 91.A OG no hydrogen 2.835 N/A ARG 79.A NE ILE 78.A O no hydrogen 3.019 N/A ARG 79.A NH1 ASN 115.A OD1 no hydrogen 3.457 N/A ARG 79.A NH2 ASN 115.A OD1 no hydrogen 2.680 N/A SER 82.A N ARG 79.A O no hydrogen 3.226 N/A SER 82.A OG VAL 84.A O no hydrogen 3.523 N/A VAL 84.A N SER 82.A OG no hydrogen 3.038 N/A ARG 88.A N VAL 84.A O no hydrogen 3.054 N/A ARG 88.A NH1 SER 82.A O no hydrogen 2.895 N/A ARG 89.A N GLU 85.A O no hydrogen 3.019 N/A ARG 89.A NE GLU 85.A OE2 no hydrogen 3.336 N/A ASN 90.A N LYS 86.A O no hydrogen 2.998 N/A ASN 90.A ND2 GLU 41.A OE1 no hydrogen 2.920 N/A ASN 90.A ND2 GLU 41.A OE2 no hydrogen 3.214 N/A SER 91.A N ILE 87.A O no hydrogen 2.789 N/A SER 91.A OG ILE 87.A O no hydrogen 2.650 N/A GLU 92.A N ARG 88.A O no hydrogen 2.957 N/A ALA 93.A N ARG 89.A O no hydrogen 3.223 N/A ALA 94.A N ASN 90.A O no hydrogen 2.903 N/A MET 95.A N SER 91.A O no hydrogen 2.838 N/A LEU 96.A N GLU 92.A O no hydrogen 2.974 N/A GLN 97.A N ALA 93.A O no hydrogen 2.950 N/A GLU 98.A N ALA 94.A O no hydrogen 2.928 N/A LEU 99.A N MET 95.A O no hydrogen 2.899 N/A ASN 100.A N LEU 96.A O no hydrogen 2.984 N/A PHE 101.A N GLN 97.A O no hydrogen 3.020 N/A GLY 102.A N GLU 98.A O no hydrogen 3.053 N/A ALA 103.A N LEU 99.A O no hydrogen 3.011 N/A TYR 104.A N ASN 100.A O no hydrogen 2.873 N/A TYR 104.A OH ASP 58.A OD2 no hydrogen 2.862 N/A LEU 105.A N PHE 101.A O no hydrogen 2.968 N/A GLY 106.A N ALA 103.A O no hydrogen 3.276 N/A LEU 107.A N GLY 102.A O no hydrogen 3.040 N/A PHE 110.A N MET 138.A O no hydrogen 2.928 N/A LEU 111.A N GLY 72.A O no hydrogen 2.689 N/A LEU 112.A N TRP 140.A O no hydrogen 3.014 N/A LEU 114.A N ARG 142.A O no hydrogen 2.894 N/A GLN 116.A NE2 ASP 118.A O no hydrogen 2.782 N/A ASN 119.A ND2 GLN 116.A O no hydrogen 2.873 N/A THR 120.A N ASP 118.A OD1 no hydrogen 3.080 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 2.618 N/A ASN 121.A N ASP 81.A OD1 no hydrogen 2.833 N/A ASN 121.A ND2 PRO 80.A O no hydrogen 3.023 N/A ASN 121.A ND2 GLU 92.A OE2 no hydrogen 2.694 N/A LEU 122.A N ASP 81.A OD2 no hydrogen 3.104 N/A ALA 123.A N ASN 119.A O no hydrogen 2.938 N/A ARG 124.A N THR 120.A O no hydrogen 2.983 N/A VAL 125.A N ASN 121.A O no hydrogen 2.984 N/A LEU 126.A N LEU 122.A O no hydrogen 2.876 N/A THR 127.A N ALA 123.A O no hydrogen 2.760 N/A THR 127.A OG1 ALA 123.A O no hydrogen 2.803 N/A ASN 128.A N ARG 124.A O no hydrogen 3.070 N/A ASN 128.A ND2 ARG 124.A O no hydrogen 3.135 N/A HIS 129.A N VAL 125.A O no hydrogen 3.111 N/A ILE 130.A N LEU 126.A O no hydrogen 3.034 N/A HIS 131.A N THR 127.A O no hydrogen 3.164 N/A HIS 131.A ND1 THR 127.A O no hydrogen 2.767 N/A THR 132.A N HIS 129.A O no hydrogen 3.149 N/A THR 132.A OG1 ASN 128.A O no hydrogen 2.787 N/A SER 137.A OG LEU 107.A O no hydrogen 3.248 N/A MET 138.A N PRO 108.A O no hydrogen 3.158 N/A PHE 139.A N ARG 189.A O no hydrogen 2.691 N/A TRP 140.A N PHE 110.A O no hydrogen 2.959 N/A MET 141.A N ALA 191.A O no hydrogen 2.823 N/A ARG 142.A N LEU 112.A O no hydrogen 2.771 N/A ARG 142.A NE GLU 195.A OE1 no hydrogen 3.022 N/A ARG 142.A NH1 ASP 7.A OD2 no hydrogen 3.065 N/A ARG 142.A NH2 ASP 7.A OD2 no hydrogen 3.545 N/A ARG 142.A NH2 GLU 195.A OE2 no hydrogen 2.910 N/A VAL 143.A N ALA 193.A O no hydrogen 3.124 N/A LEU 145.A N GLU 195.A O no hydrogen 3.020 N/A ASP 150.A N ALA 147.A O no hydrogen 2.751 N/A LEU 151.A N PRO 148.A O no hydrogen 3.207 N/A ARG 152.A NE GLU 149.A OE2 no hydrogen 2.916 N/A ARG 152.A NH1 ALA 159.A O no hydrogen 3.318 N/A ARG 152.A NH2 ALA 159.A O no hydrogen 2.987 N/A ALA 159.A N ILE 156.A O no hydrogen 3.191 N/A THR 161.A N ASP 154.A OD1 no hydrogen 3.078 N/A THR 162.A OG1 GLU 166.A OE1 no hydrogen 3.220 N/A GLU 166.A N GLU 170.A OE2 no hydrogen 3.369 N/A GLU 170.A N GLU 166.A O no hydrogen 2.853 N/A GLU 171.A N SER 168.A O no hydrogen 2.991 N/A LYS 172.A N GLY 169.A O no hydrogen 3.175 N/A LYS 172.A NZ ASP 150.A OD2 no hydrogen 2.848 N/A LYS 172.A NZ GLY 169.A O no hydrogen 2.774 N/A THR 173.A OG1 PRO 144.A O no hydrogen 2.607 N/A THR 173.A OG1 LEU 145.A O no hydrogen 3.161 N/A TRP 174.A N GLU 171.A O no hydrogen 3.150 N/A TRP 174.A NE1 GLU 212.A OE2 no hydrogen 2.896 N/A MET 175.A N.B LYS 172.A O no hydrogen 3.100 N/A TRP 176.A N LYS 172.A O no hydrogen 3.280 N/A TRP 177.A N THR 173.A O no hydrogen 3.213 N/A TRP 177.A NE1 GLU 212.A OE1 no hydrogen 2.759 N/A HIS 178.A N TRP 174.A O no hydrogen 2.762 N/A ASN 179.A N MET 175.A O.A no hydrogen 3.034 N/A ASN 179.A N MET 175.A O.B no hydrogen 2.924 N/A PHE 180.A N TRP 176.A O no hydrogen 3.176 N/A ARG 181.A N TRP 177.A O no hydrogen 2.958 N/A ARG 181.A NE HIS 178.A ND1 no hydrogen 3.228 N/A ARG 181.A NH1 GLU 212.A OE1 no hydrogen 2.774 N/A ARG 181.A NH2 HIS 178.A ND1 no hydrogen 3.130 N/A ARG 181.A NH2 GLU 212.A OE1 no hydrogen 3.188 N/A ARG 181.A NH2 GLU 212.A OE2 no hydrogen 2.890 N/A THR 182.A N HIS 178.A O no hydrogen 2.974 N/A THR 182.A OG1 HIS 178.A O no hydrogen 2.773 N/A LEU 183.A N ASN 179.A O no hydrogen 2.957 N/A CYS 184.A N PHE 180.A O no hydrogen 3.066 N/A CYS 184.A SG ALA 123.A O no hydrogen 3.729 N/A CYS 184.A SG THR 127.A OG1 no hydrogen 3.354 N/A CYS 184.A SG PHE 180.A O no hydrogen 3.447 N/A ASP 185.A N THR 182.A O no hydrogen 2.909 N/A TYR 186.A N ARG 181.A O no hydrogen 2.902 N/A ARG 189.A N SER 187.A OG no hydrogen 3.073 N/A ARG 189.A NE SER 137.A O no hydrogen 2.640 N/A ARG 189.A NH1 SER 137.A O no hydrogen 3.243 N/A ILE 190.A N SER 187.A O no hydrogen 3.129 N/A ALA 191.A N PHE 139.A O no hydrogen 2.878 N/A VAL 192.A N PRO 213.A O no hydrogen 2.914 N/A ALA 193.A N MET 141.A O no hydrogen 2.861 N/A LEU 194.A N ALA 216.A O no hydrogen 2.926 N/A GLU 195.A N VAL 143.A O no hydrogen 2.934 N/A ILE 196.A N ILE 218.A O no hydrogen 2.938 N/A HIS 204.A ND1 GLU 171.A OE2 no hydrogen 2.639 N/A VAL 205.A N SER 202.A O no hydrogen 3.017 N/A ILE 206.A N SER 202.A O no hydrogen 3.411 N/A ASP 207.A N ASN 203.A O no hydrogen 2.785 N/A ARG 208.A N HIS 204.A O no hydrogen 3.203 N/A ARG 208.A NE GLU 171.A OE1 no hydrogen 3.038 N/A TRP 209.A N ILE 206.A O no hydrogen 3.193 N/A LEU 210.A N ASP 207.A O no hydrogen 3.031 N/A GLY 211.A N ASN 496.A OD1 no hydrogen 2.902 N/A GLU 212.A N TRP 209.A O no hydrogen 3.188 N/A ILE 214.A N GLU 212.A O no hydrogen 2.828 N/A LYS 215.A N VAL 192.A O no hydrogen 2.905 N/A ALA 216.A N VAL 192.A O no hydrogen 3.284 N/A ALA 217.A N GLN 251.A O no hydrogen 3.000 N/A ILE 218.A N LEU 194.A O no hydrogen 2.705 N/A LEU 219.A N ILE 253.A O no hydrogen 2.690 N/A THR 221.A N THR 255.A O no hydrogen 2.949 N/A THR 221.A OG1 THR 257.A O no hydrogen 2.733 N/A ILE 223.A N PRO 220.A O no hydrogen 3.127 N/A PHE 224.A N THR 221.A O no hydrogen 3.231 N/A LEU 225.A N VAL 233.A O no hydrogen 2.594 N/A THR 226.A OG1 HIS 260.A NE2 no hydrogen 2.891 N/A ASN 227.A N PHE 231.A O no hydrogen 3.195 N/A GLY 230.A N ASN 227.A O no hydrogen 2.749 N/A PHE 231.A N ASN 227.A OD1 no hydrogen 2.806 N/A VAL 233.A N LEU 225.A O no hydrogen 2.781 N/A LEU 234.A N TYR 271.A OH no hydrogen 3.291 N/A SER 235.A OG HIS 238.A ND1 no hydrogen 2.700 N/A HIS 238.A N SER 235.A OG no hydrogen 3.204 N/A HIS 238.A ND1 SER 235.A OG no hydrogen 2.700 N/A HIS 238.A NE2 GLY 197.A O no hydrogen 2.935 N/A GLN 239.A N SER 235.A O no hydrogen 2.920 N/A GLN 239.A NE2 LEU 234.A O no hydrogen 2.818 N/A ARG 240.A N LYS 236.A O no hydrogen 3.033 N/A LEU 241.A N MET 237.A O no hydrogen 3.256 N/A ILE 242.A N HIS 238.A O no hydrogen 2.888 N/A PHE 243.A N GLN 239.A O no hydrogen 2.896 N/A ARG 244.A N ARG 240.A O no hydrogen 3.395 N/A ARG 244.A NH1 ASP 207.A OD1 no hydrogen 2.879 N/A ARG 244.A NH2 ASP 207.A OD1 no hydrogen 3.080 N/A LEU 245.A N LEU 241.A O no hydrogen 3.025 N/A LEU 246.A N ILE 242.A O no hydrogen 2.862 N/A LYS 247.A N PHE 243.A O no hydrogen 3.359 N/A LYS 247.A N ARG 244.A O no hydrogen 3.216 N/A LEU 248.A N LEU 245.A O no hydrogen 3.051 N/A GLU 249.A N LEU 246.A O no hydrogen 3.096 N/A VAL 250.A N LEU 245.A O no hydrogen 3.427 N/A GLN 251.A N LYS 215.A O no hydrogen 3.028 N/A GLN 251.A NE2 SER 3.A OG no hydrogen 2.747 N/A PHE 252.A N SER 3.A O no hydrogen 2.994 N/A ILE 253.A N ALA 217.A O no hydrogen 2.838 N/A ILE 254.A N GLY 5.A O no hydrogen 2.933 N/A THR 255.A N LEU 219.A O no hydrogen 3.231 N/A THR 255.A OG1 ASP 7.A OD2 no hydrogen 2.635 N/A ASN 258.A ND2 GLU 264.A O no hydrogen 3.518 N/A ASN 258.A ND2 TYR 268.A OH no hydrogen 3.514 N/A HIS 259.A N TYR 268.A OH no hydrogen 2.932 N/A HIS 260.A ND1 TYR 268.A OH no hydrogen 2.854 N/A HIS 260.A NE2 THR 226.A OG1 no hydrogen 2.891 N/A LYS 263.A N HIS 260.A O no hydrogen 3.049 N/A CYS 266.A SG GLU 264.A OE2 no hydrogen 3.293 N/A SER 267.A OG LYS 263.A O no hydrogen 3.533 N/A SER 267.A OG GLU 264.A O no hydrogen 3.010 N/A TYR 268.A N PHE 265.A O no hydrogen 3.355 N/A TYR 268.A OH HIS 260.A ND1 no hydrogen 2.854 N/A GLN 270.A N CYS 266.A O no hydrogen 2.759 N/A TYR 271.A N SER 267.A O no hydrogen 3.037 N/A LEU 272.A N TYR 268.A O no hydrogen 3.348 N/A GLU 273.A N LEU 269.A O no hydrogen 3.137 N/A TYR 274.A N GLN 270.A O no hydrogen 2.978 N/A LEU 275.A N TYR 271.A O no hydrogen 2.959 N/A SER 276.A N LEU 272.A O no hydrogen 2.941 N/A GLN 277.A N GLU 273.A O no hydrogen 2.882 N/A ASN 278.A N TYR 274.A O no hydrogen 2.898 N/A ASN 278.A ND2 TYR 274.A O no hydrogen 2.862 N/A ARG 279.A NE SER 276.A O no hydrogen 3.074 N/A ARG 279.A NH2 SER 276.A OG no hydrogen 3.293 N/A ASN 283.A N GLU 286.A OE1 no hydrogen 3.062 N/A GLU 286.A N ASN 283.A OD1 no hydrogen 2.701 N/A LEU 287.A N ASN 283.A O no hydrogen 2.909 N/A PHE 288.A N ALA 284.A O no hydrogen 3.056 N/A ALA 289.A N TYR 285.A O no hydrogen 2.781 N/A GLY 291.A N GLU 293.A OE1 no hydrogen 2.693 N/A TYR 292.A N ALA 289.A O no hydrogen 2.962 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 2.821 N/A ASP 294.A N ARG 493.A O no hydrogen 2.814 N/A TYR 295.A N TYR 292.A O no hydrogen 3.115 N/A GLN 297.A N VAL 491.A O no hydrogen 2.886 N/A GLN 301.A NE2 THR 622.A O no hydrogen 3.109 N/A ASP 305.A N GLN 301.A O no hydrogen 3.042 N/A TYR 312.A N GLU 308.A O no hydrogen 3.316 N/A GLU 313.A N SER 309.A O no hydrogen 2.935 N/A VAL 314.A N GLN 310.A O no hydrogen 2.840 N/A PHE 315.A N THR 311.A O no hydrogen 3.061 N/A GLU 316.A N TYR 312.A O no hydrogen 3.153 N/A LYS 317.A N VAL 314.A O no hydrogen 2.942 N/A ASP 318.A N PHE 315.A O no hydrogen 3.394 N/A LYS 321.A N ASP 318.A OD2 no hydrogen 3.334 N/A LYS 321.A NZ TYR 322.A OH no hydrogen 3.376 N/A LYS 321.A NZ GLU 423.A OE2 no hydrogen 2.751 N/A SER 323.A N PRO 319.A O no hydrogen 3.338 N/A SER 323.A OG PRO 319.A O no hydrogen 3.118 N/A SER 323.A OG ILE 320.A O no hydrogen 2.731 N/A GLN 324.A N ILE 320.A O no hydrogen 3.019 N/A GLN 324.A NE2 THR 552.A O no hydrogen 2.926 N/A TYR 325.A N LYS 321.A O no hydrogen 3.078 N/A TYR 325.A OH SER 422.A O no hydrogen 2.770 N/A GLN 326.A N TYR 322.A O no hydrogen 2.868 N/A GLN 326.A NE2 GLN 369.A OE1 no hydrogen 2.728 N/A GLN 327.A N SER 323.A O no hydrogen 3.096 N/A ALA 328.A N GLN 324.A O no hydrogen 2.954 N/A ILE 329.A N TYR 325.A O no hydrogen 2.920 N/A TYR 330.A N GLN 326.A O no hydrogen 2.895 N/A LYS 331.A N GLN 327.A O no hydrogen 3.049 N/A LYS 331.A NZ GLN 549.A OE1 no hydrogen 3.265 N/A LYS 331.A NZ ASP 550.A OD2 no hydrogen 2.802 N/A CYS 332.A N ALA 328.A O no hydrogen 3.092 N/A LEU 333.A N ILE 329.A O no hydrogen 2.902 N/A LEU 334.A N TYR 330.A O no hydrogen 3.263 N/A ASP 335.A N LYS 331.A O no hydrogen 3.010 N/A ARG 336.A N CYS 332.A O no hydrogen 3.007 N/A ARG 336.A NE GLN 347.A OE1 no hydrogen 2.826 N/A ARG 336.A NH1 ASP 418.A OD2 no hydrogen 2.772 N/A ARG 336.A NH1 ASP 448.A OD1 no hydrogen 3.445 N/A ARG 336.A NH2 ASP 448.A O no hydrogen 2.728 N/A VAL 337.A N LEU 333.A O no hydrogen 3.046 N/A GLU 340.A N GLU 340.A OE1 no hydrogen 2.814 N/A GLU 341.A N PRO 338.A O no hydrogen 2.805 N/A LYS 342.A N GLU 339.A O no hydrogen 3.287 N/A LYS 342.A NZ ASP 371.A OD2 no hydrogen 3.257 N/A THR 344.A N GLU 341.A O no hydrogen 3.218 N/A THR 344.A OG1 GLU 341.A O no hydrogen 3.357 N/A ASN 345.A N GLU 341.A O no hydrogen 2.931 N/A ASN 345.A ND2 GLU 341.A OE1 no hydrogen 3.168 N/A GLN 347.A N ARG 373.A O no hydrogen 2.986 N/A GLN 347.A NE2 ASN 345.A OD1 no hydrogen 2.971 N/A VAL 348.A N ASP 418.A OD1 no hydrogen 2.844 N/A LEU 349.A N LYS 375.A O no hydrogen 2.808 N/A MET 350.A N ILE 419.A O no hydrogen 2.956 N/A VAL 351.A N TYR 377.A O no hydrogen 2.803 N/A LEU 352.A N VAL 421.A O no hydrogen 2.841 N/A GLY 353.A N VAL 379.A O no hydrogen 2.746 N/A ALA 354.A N VAL 379.A O no hydrogen 2.880 N/A GLY 355.A N GLU 380.A OE1 no hydrogen 2.689 N/A ARG 356.A NE GLU 316.A OE2 no hydrogen 3.295 N/A ARG 356.A NH1 GLU 316.A OE1 no hydrogen 2.888 N/A GLY 357.A N ALA 354.A O no hydrogen 2.952 N/A ASN 361.A N GLY 357.A O no hydrogen 3.158 N/A ALA 362.A N PRO 358.A O no hydrogen 2.852 N/A SER 363.A N LEU 359.A O no hydrogen 2.941 N/A SER 363.A OG LEU 359.A O no hydrogen 2.826 N/A LEU 364.A N VAL 360.A O no hydrogen 3.110 N/A ARG 365.A N ASN 361.A O no hydrogen 2.928 N/A ARG 365.A NH1 GLN 326.A OE1 no hydrogen 3.458 N/A ALA 366.A N ALA 362.A O no hydrogen 2.986 N/A ALA 367.A N SER 363.A O no hydrogen 3.019 N/A LYS 368.A N LEU 364.A O no hydrogen 3.058 N/A GLN 369.A N ARG 365.A O no hydrogen 2.945 N/A ALA 370.A N ALA 366.A O no hydrogen 2.966 N/A ASP 371.A N LYS 368.A O no hydrogen 3.064 N/A ARG 372.A N ALA 367.A O no hydrogen 2.943 N/A ARG 372.A NE ALA 370.A O no hydrogen 3.136 N/A ARG 372.A NE ASP 371.A O no hydrogen 2.935 N/A ARG 373.A NH1 ASP 343.A O no hydrogen 2.665 N/A LYS 375.A N GLN 347.A O no hydrogen 2.738 N/A LYS 375.A NZ TYR 377.A OH no hydrogen 3.537 N/A LYS 375.A NZ GLU 415.A OE1 no hydrogen 2.933 N/A LEU 376.A N GLN 400.A O no hydrogen 3.112 N/A TYR 377.A N LEU 349.A O no hydrogen 2.897 N/A TYR 377.A OH GLU 415.A OE1 no hydrogen 2.879 N/A ALA 378.A N THR 402.A O no hydrogen 2.753 N/A VAL 379.A N VAL 351.A O no hydrogen 2.825 N/A GLU 380.A N VAL 404.A O no hydrogen 2.932 N/A LYS 381.A NZ PRO 302.A O no hydrogen 2.803 N/A LYS 381.A NZ LEU 303.A O no hydrogen 2.940 N/A LYS 381.A NZ ASP 305.A O no hydrogen 3.069 N/A LYS 381.A NZ ASN 306.A OD1 no hydrogen 2.771 N/A ASN 382.A N GLU 380.A OE2 no hydrogen 2.823 N/A ASN 382.A ND2 LEU 307.A O no hydrogen 3.071 N/A ASN 382.A ND2 TYR 312.A OH no hydrogen 2.852 N/A ASN 384.A N ASN 382.A OD1 no hydrogen 3.094 N/A ASN 384.A ND2 ASN 382.A OD1 no hydrogen 3.033 N/A VAL 386.A N ASN 382.A O no hydrogen 3.105 N/A VAL 387.A N ASN 384.A O no hydrogen 3.194 N/A LEU 389.A N ALA 385.A O no hydrogen 3.021 N/A GLU 390.A N VAL 386.A O no hydrogen 2.885 N/A ASN 391.A N VAL 387.A O no hydrogen 3.025 N/A ASN 391.A ND2 VAL 387.A O no hydrogen 2.836 N/A TRP 392.A N THR 388.A O no hydrogen 2.907 N/A GLN 393.A N LEU 389.A O no hydrogen 2.876 N/A GLN 393.A NE2 VAL 401.A O no hydrogen 2.859 N/A PHE 394.A N GLU 390.A O no hydrogen 3.101 N/A GLU 395.A N ASN 391.A O no hydrogen 3.056 N/A GLU 396.A N TRP 392.A O no hydrogen 2.773 N/A TRP 397.A N TRP 392.A O no hydrogen 3.197 N/A TRP 397.A NE1 ASN 361.A OD1 no hydrogen 2.906 N/A GLY 398.A N GLN 393.A O no hydrogen 2.921 N/A GLN 400.A NE2 ILE 374.A O no hydrogen 3.162 N/A VAL 401.A N GLY 398.A O no hydrogen 3.060 N/A THR 402.A N LEU 376.A O no hydrogen 2.949 N/A VAL 404.A N ALA 378.A O no hydrogen 2.776 N/A SER 406.A N GLU 380.A O no hydrogen 3.106 N/A SER 406.A OG ASP 407.A O no hydrogen 3.121 N/A ARG 409.A N ASP 407.A OD1 no hydrogen 2.845 N/A ARG 409.A NE ASP 407.A OD1 no hydrogen 2.963 N/A ARG 409.A NE ASP 407.A OD2 no hydrogen 3.413 N/A ARG 409.A NH1 LEU 625.A OXT no hydrogen 2.835 N/A ARG 409.A NH2 ASP 407.A OD2 no hydrogen 2.784 N/A ARG 409.A NH2 LEU 625.A OXT no hydrogen 2.802 N/A GLU 410.A N ASP 407.A O no hydrogen 2.955 N/A TRP 411.A N ASP 407.A O no hydrogen 3.034 N/A ALA 417.A N PHE 444.A O no hydrogen 2.778 N/A ASP 418.A N VAL 348.A O no hydrogen 2.798 N/A ILE 419.A N VAL 348.A O no hydrogen 3.241 N/A ILE 420.A N VAL 450.A O no hydrogen 2.941 N/A VAL 421.A N MET 350.A O no hydrogen 2.812 N/A SER 422.A N ILE 452.A O no hydrogen 2.827 N/A LEU 425.A N GLU 423.A OE1 no hydrogen 3.136 N/A GLY 426.A N ALA 429.A O no hydrogen 3.024 N/A SER 427.A OG PHE 568.A O no hydrogen 2.641 N/A PHE 428.A N ASN 431.A OD1 no hydrogen 2.865 N/A ALA 429.A N GLY 426.A O no hydrogen 3.125 N/A ASP 430.A N PHE 428.A O no hydrogen 2.985 N/A LEU 433.A N ASP 430.A O no hydrogen 3.021 N/A SER 434.A OG TYR 456.A OH no hydrogen 2.873 N/A CYS 437.A N LEU 433.A O no hydrogen 3.074 N/A CYS 437.A SG LEU 433.A O no hydrogen 3.407 N/A LEU 438.A N SER 434.A O no hydrogen 2.903 N/A ASP 439.A N PRO 435.A O no hydrogen 2.921 N/A GLY 440.A N GLU 436.A O no hydrogen 3.309 N/A ALA 441.A N CYS 437.A O no hydrogen 3.258 N/A GLN 442.A NE2 ASN 513.A O no hydrogen 2.983 N/A PHE 444.A N ALA 441.A O no hydrogen 3.102 N/A LEU 445.A N GLN 442.A O no hydrogen 3.070 N/A LYS 446.A N ALA 417.A O no hydrogen 2.858 N/A LYS 446.A NZ ASP 418.A OD1 no hydrogen 3.025 N/A LYS 446.A NZ ASP 418.A OD2 no hydrogen 3.082 N/A GLY 449.A N LYS 446.A O no hydrogen 2.797 N/A VAL 450.A N ASP 418.A O no hydrogen 2.901 N/A SER 451.A OG PRO 453.A O no hydrogen 2.933 N/A ILE 452.A N ILE 420.A O no hydrogen 2.769 N/A GLY 454.A N VAL 546.A O no hydrogen 2.920 N/A GLU 455.A N VAL 546.A O no hydrogen 3.398 N/A TYR 456.A N PHE 509.A O no hydrogen 3.192 N/A TYR 456.A OH SER 434.A OG no hydrogen 2.873 N/A TYR 456.A OH HIS 511.A NE2 no hydrogen 2.579 N/A THR 457.A N GLU 544.A O no hydrogen 2.934 N/A THR 457.A OG1 THR 508.A OG1 no hydrogen 2.983 N/A SER 458.A N PHE 507.A O no hydrogen 2.927 N/A SER 458.A OG PHE 507.A O no hydrogen 3.369 N/A PHE 459.A N TYR 542.A O no hydrogen 2.891 N/A LEU 460.A N GLN 504.A O no hydrogen 3.010 N/A ALA 461.A N ALA 540.A O no hydrogen 2.972 N/A ILE 463.A N GLY 538.A O no hydrogen 2.957 N/A SER 464.A N HIS 498.A O no hydrogen 2.848 N/A SER 464.A OG THR 534.A OG1 no hydrogen 3.422 N/A SER 464.A OG VAL 535.A O no hydrogen 2.738 N/A SER 465.A N HIS 537.A ND1 no hydrogen 2.806 N/A SER 465.A OG ASN 496.A O no hydrogen 2.734 N/A LYS 467.A N GLY 211.A O no hydrogen 2.863 N/A LYS 467.A NZ ASP 294.A OD2 no hydrogen 3.260 N/A LEU 468.A N SER 465.A OG no hydrogen 2.979 N/A TYR 469.A N SER 465.A O no hydrogen 2.959 N/A TYR 469.A OH LYS 575.A O no hydrogen 3.265 N/A ASN 470.A N SER 466.A O no hydrogen 3.174 N/A ASN 470.A ND2 TYR 186.A O no hydrogen 2.872 N/A GLU 471.A N LYS 467.A O no hydrogen 3.112 N/A VAL 472.A N LEU 468.A O no hydrogen 2.927 N/A ARG 473.A N TYR 469.A O no hydrogen 2.978 N/A ALA 474.A N ASN 470.A O no hydrogen 3.089 N/A CYS 475.A N VAL 472.A O no hydrogen 2.881 N/A CYS 475.A SG GLU 471.A O no hydrogen 3.521 N/A ARG 480.A NH1 CYS 475.A O no hydrogen 2.739 N/A GLU 483.A N ASP 481.A OD1 no hydrogen 2.945 N/A ALA 484.A N ASP 481.A O no hydrogen 3.207 N/A GLN 485.A N GLN 485.A OE1 no hydrogen 2.775 N/A GLN 485.A NE2 ARG 473.A O no hydrogen 3.652 N/A GLN 485.A NE2 PRO 482.A O no hydrogen 2.894 N/A PHE 486.A N GLU 483.A O no hydrogen 3.100 N/A GLU 487.A N ALA 484.A O no hydrogen 2.918 N/A TYR 490.A N LEU 571.A O no hydrogen 3.014 N/A TYR 490.A OH GLN 485.A O no hydrogen 2.735 N/A VAL 491.A N GLN 297.A O no hydrogen 2.800 N/A VAL 492.A N PRO 569.A O no hydrogen 2.898 N/A ARG 493.A NE LEU 494.A O no hydrogen 2.967 N/A ARG 493.A NH1 TYR 285.A OH no hydrogen 2.761 N/A ARG 493.A NH2 LEU 494.A O no hydrogen 2.735 N/A HIS 495.A N ASP 294.A OD1 no hydrogen 2.862 N/A HIS 495.A NE2 LYS 247.A O no hydrogen 2.879 N/A ASN 496.A N ASP 294.A OD2 no hydrogen 2.743 N/A ASN 496.A ND2 GLU 212.A O no hydrogen 2.876 N/A HIS 498.A N SER 464.A O no hydrogen 2.827 N/A LEU 500.A N PRO 462.A O no hydrogen 2.837 N/A SER 501.A OG PRO 529.A O no hydrogen 2.772 N/A GLN 504.A N LEU 460.A O no hydrogen 2.904 N/A GLN 504.A NE2 GLU 527.A O no hydrogen 2.823 N/A CYS 506.A N SER 458.A O no hydrogen 2.801 N/A PHE 507.A N SER 458.A OG no hydrogen 2.988 N/A THR 508.A OG1 THR 457.A OG1 no hydrogen 2.983 N/A PHE 509.A N TYR 456.A O no hydrogen 3.154 N/A HIS 511.A N GLY 454.A O no hydrogen 2.882 N/A HIS 511.A NE2 TYR 456.A OH no hydrogen 2.579 N/A ASN 513.A N GLN 442.A OE1 no hydrogen 2.701 N/A ASP 515.A N ASN 513.A OD1 no hydrogen 3.347 N/A ASP 519.A N MET 517.A O no hydrogen 2.656 N/A ASN 520.A ND2 ASP 439.A OD2 no hydrogen 2.862 N/A ARG 522.A N ARG 592.A O no hydrogen 2.950 N/A ARG 522.A NE THR 508.A O no hydrogen 3.135 N/A ARG 522.A NH1 ASP 519.A O no hydrogen 3.061 N/A ARG 522.A NH1 ASN 521.A O no hydrogen 3.529 N/A ARG 522.A NH2 THR 508.A O no hydrogen 2.854 N/A CYS 524.A N PHE 590.A O no hydrogen 2.860 N/A CYS 524.A SG CYS 506.A O no hydrogen 3.662 N/A CYS 524.A SG THR 525.A O no hydrogen 4.011 N/A LEU 526.A N VAL 588.A O no hydrogen 2.918 N/A PHE 528.A N ILE 586.A O no hydrogen 2.762 N/A VAL 530.A N GLN 584.A O no hydrogen 3.069 N/A ASN 533.A ND2 SER 168.A OG no hydrogen 3.095 N/A ASN 533.A ND2 GLU 171.A OE1 no hydrogen 2.885 N/A THR 534.A N VAL 580.A O no hydrogen 2.783 N/A VAL 535.A N THR 534.A OG1 no hydrogen 2.735 N/A LEU 536.A N ILE 578.A O no hydrogen 2.660 N/A HIS 537.A N ILE 463.A O no hydrogen 3.058 N/A PHE 539.A N PHE 572.A O no hydrogen 2.824 N/A ALA 540.A N ALA 461.A O no hydrogen 2.812 N/A GLY 541.A N ILE 570.A O no hydrogen 2.755 N/A TYR 542.A N PHE 459.A O no hydrogen 2.953 N/A TYR 542.A OH GLN 499.A OE1 no hydrogen 2.883 N/A GLU 544.A N THR 457.A O no hydrogen 2.950 N/A THR 545.A N LEU 553.A O no hydrogen 2.860 N/A THR 545.A OG1 GLU 455.A O no hydrogen 2.764 N/A VAL 546.A N GLU 455.A O no hydrogen 2.877 N/A LEU 547.A N ILE 551.A O no hydrogen 2.878 N/A TYR 548.A N ILE 551.A O no hydrogen 3.341 N/A TYR 548.A OH ASP 335.A OD2 no hydrogen 2.865 N/A GLN 549.A NE2 ASP 335.A OD2 no hydrogen 3.167 N/A ASP 550.A N ASP 550.A OD2 no hydrogen 2.714 N/A ILE 551.A N TYR 548.A O no hydrogen 2.888 N/A LEU 553.A N THR 545.A O no hydrogen 3.093 N/A SER 554.A N SER 561.A OG no hydrogen 2.853 N/A SER 554.A OG THR 559.A O no hydrogen 3.244 N/A SER 554.A OG THR 559.A OG1 no hydrogen 2.799 N/A ILE 555.A N PHE 543.A O no hydrogen 3.002 N/A ARG 556.A N SER 554.A OG no hydrogen 3.101 N/A ARG 556.A NE GLU 544.A OE1 no hydrogen 2.789 N/A ARG 556.A NH2 GLU 544.A OE1 no hydrogen 2.497 N/A GLU 558.A N GLU 558.A OE2 no hydrogen 2.735 N/A THR 559.A N ARG 556.A O no hydrogen 3.168 N/A THR 559.A OG1 GLU 544.A OE1 no hydrogen 2.972 N/A THR 559.A OG1 SER 554.A OG no hydrogen 2.799 N/A HIS 560.A N PRO 557.A O no hydrogen 3.440 N/A HIS 560.A ND1 SER 561.A O no hydrogen 2.763 N/A SER 561.A N SER 554.A O no hydrogen 2.881 N/A SER 561.A OG SER 554.A O no hydrogen 3.485 N/A MET 564.A N SER 561.A O no hydrogen 3.446 N/A SER 566.A N ASP 318.A OD1 no hydrogen 2.949 N/A SER 566.A OG ASP 318.A OD1 no hydrogen 2.473 N/A TRP 567.A NE1 LEU 425.A O no hydrogen 2.748 N/A ILE 570.A N GLY 541.A O no hydrogen 3.012 N/A LEU 571.A N TYR 490.A O no hydrogen 2.798 N/A PHE 572.A N PHE 539.A O no hydrogen 2.935 N/A ILE 574.A N HIS 537.A O no hydrogen 3.226 N/A LYS 575.A N HIS 614.A NE2 no hydrogen 2.780 N/A LYS 575.A NZ GLU 483.A OE1 no hydrogen 3.090 N/A ILE 578.A N LEU 536.A O no hydrogen 2.979 N/A VAL 580.A N THR 534.A O no hydrogen 2.972 N/A ARG 581.A N GLN 584.A OE1 no hydrogen 2.838 N/A GLU 582.A N ASN 533.A OD1 no hydrogen 2.946 N/A GLY 583.A N VAL 530.A O no hydrogen 2.837 N/A GLN 584.A N ARG 581.A O no hydrogen 3.090 N/A ILE 586.A N PHE 528.A O no hydrogen 2.960 N/A CYS 587.A N ALA 607.A O no hydrogen 2.851 N/A CYS 587.A SG LEU 526.A O no hydrogen 3.721 N/A CYS 587.A SG GLU 527.A OE2 no hydrogen 3.652 N/A CYS 587.A SG THR 606.A OG1 no hydrogen 3.330 N/A VAL 588.A N LEU 526.A O no hydrogen 2.910 N/A ARG 589.A N ALA 604.A O no hydrogen 2.705 N/A ARG 589.A NE THR 606.A OG1 no hydrogen 3.106 N/A ARG 589.A NH1 TYR 523.A OH no hydrogen 3.108 N/A ARG 589.A NH2 THR 606.A OG1 no hydrogen 3.365 N/A PHE 590.A N CYS 524.A O no hydrogen 2.893 N/A TRP 591.A N GLU 602.A O no hydrogen 2.820 N/A ARG 592.A N ARG 522.A O no hydrogen 2.816 N/A ARG 592.A NE ASP 430.A OD1 no hydrogen 2.609 N/A ARG 592.A NH1 GLU 436.A OE2 no hydrogen 2.751 N/A ARG 592.A NH1 ASN 520.A O no hydrogen 3.315 N/A ARG 592.A NH2 ASP 430.A O no hydrogen 3.129 N/A ARG 592.A NH2 GLU 436.A OE1 no hydrogen 2.906 N/A CYS 593.A N TRP 600.A O no hydrogen 2.868 N/A SER 594.A OG ASN 521.A OD1 no hydrogen 2.628 N/A ASN 595.A N LYS 598.A O no hydrogen 3.001 N/A LYS 597.A N ASN 595.A OD1 no hydrogen 2.756 N/A LYS 598.A N ASN 595.A OD1 no hydrogen 2.704 N/A LYS 598.A NZ THR 622.A OG1 no hydrogen 3.233 N/A VAL 599.A N ILE 623.A O no hydrogen 2.985 N/A TRP 600.A N CYS 593.A O no hydrogen 2.893 N/A TRP 600.A NE1 GLU 602.A OE2 no hydrogen 2.749 N/A TYR 601.A OH ASP 430.A OD1 no hydrogen 2.588 N/A GLU 602.A N TRP 591.A O no hydrogen 3.056 N/A TRP 603.A N HIS 614.A O no hydrogen 3.183 N/A TRP 603.A NE1 PRO 573.A O no hydrogen 2.873 N/A ALA 604.A N ARG 589.A O no hydrogen 2.927 N/A VAL 605.A N SER 611.A OG no hydrogen 2.844 N/A THR 606.A N CYS 587.A O no hydrogen 2.853 N/A CYS 610.A SG THR 606.A O no hydrogen 3.716 N/A SER 611.A N VAL 605.A O no hydrogen 2.816 N/A SER 611.A OG VAL 605.A O no hydrogen 3.513 N/A SER 611.A OG ALA 612.A O no hydrogen 2.950 N/A HIS 614.A N TRP 603.A O no hydrogen 2.782 N/A HIS 614.A ND1 ALA 612.A O no hydrogen 2.859 N/A ASN 615.A N GLU 487.A OE2 no hydrogen 3.055 N/A ASN 615.A ND2 TYR 601.A O no hydrogen 2.969 N/A ASN 615.A ND2 TYR 621.A O no hydrogen 2.825 N/A THR 617.A N GLU 602.A OE2 no hydrogen 2.984 N/A GLY 618.A N ASN 615.A O no hydrogen 3.101 N/A ARG 619.A N PRO 616.A O no hydrogen 3.086 N/A ARG 619.A NE GLU 487.A OE1 no hydrogen 2.858 N/A ARG 619.A NE GLU 487.A OE2 no hydrogen 3.424 N/A ARG 619.A NH2 GLU 487.A OE2 no hydrogen 2.720 N/A SER 620.A N ASN 615.A OD1 no hydrogen 2.879 N/A SER 620.A OG GLU 487.A OE1 no hydrogen 2.586 N/A TYR 621.A N ASN 615.A OD1 no hydrogen 2.905 N/A ILE 623.A N VAL 599.A O no hydrogen 2.700 N/A GLY 624.A N GLN 301.A OE1 no hydrogen 3.282 N/A LEU 625.A N LYS 597.A O no hydrogen 3.048 N/A