Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w1b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 SER 7.A OG no hydrogen 3.163 N/A THR 4.A OG1 GLN 130.A OE1 no hydrogen 2.882 N/A VAL 5.A N ASP 55.A OD2 no hydrogen 3.031 N/A SER 7.A N THR 4.A O no hydrogen 3.243 N/A SER 7.A N THR 4.A OG1 no hydrogen 3.079 N/A SER 7.A OG THR 4.A O no hydrogen 2.699 N/A SER 7.A OG THR 4.A OG1 no hydrogen 3.163 N/A HIS 8.A N VAL 5.A O no hydrogen 2.680 N/A PHE 11.A N LEU 127.A O no hydrogen 2.689 N/A ASP 13.A N PRO 10.A O no hydrogen 3.042 N/A CYS 15.A N PHE 11.A O no hydrogen 2.993 N/A CYS 15.A SG PHE 11.A O no hydrogen 3.466 N/A SER 16.A N ALA 12.A O no hydrogen 2.988 N/A SER 16.A OG ASP 13.A O no hydrogen 3.314 N/A THR 17.A N ASP 13.A O no hydrogen 3.320 N/A THR 17.A OG1 ASP 13.A O no hydrogen 2.852 N/A LEU 18.A N LEU 14.A O no hydrogen 3.012 N/A GLU 19.A N CYS 15.A O no hydrogen 2.811 N/A ARG 20.A N SER 16.A O no hydrogen 3.085 N/A ILE 21.A N THR 17.A O no hydrogen 3.011 N/A GLN 22.A N LEU 18.A O no hydrogen 2.940 N/A LYS 23.A N GLU 19.A O no hydrogen 3.003 N/A SER 24.A N ARG 20.A O no hydrogen 2.973 N/A SER 24.A N ILE 21.A O no hydrogen 3.282 N/A SER 24.A OG ARG 20.A O no hydrogen 2.843 N/A SER 24.A OG GLU 29.A OE2 no hydrogen 2.789 N/A SER 24.A OG HIS 33.A ND1 no hydrogen 3.150 N/A LYS 30.A N GLY 26.A O no hydrogen 3.084 N/A LYS 30.A NZ ILE 21.A O no hydrogen 2.957 N/A LYS 30.A NZ SER 24.A O no hydrogen 2.650 N/A LYS 30.A NZ LEU 180.A O no hydrogen 3.101 N/A ILE 31.A N ARG 27.A O no hydrogen 2.881 N/A ARG 32.A N ALA 28.A O no hydrogen 2.962 N/A ARG 32.A NH1 GLU 36.A OE1 no hydrogen 3.073 N/A HIS 33.A N GLU 29.A O no hydrogen 3.166 N/A PHE 34.A N LYS 30.A O no hydrogen 3.283 N/A ARG 35.A N ILE 31.A O no hydrogen 2.768 N/A ARG 35.A NH2 VAL 190.A O no hydrogen 3.204 N/A GLU 36.A N ARG 32.A O no hydrogen 2.963 N/A PHE 37.A N HIS 33.A O no hydrogen 3.329 N/A LEU 38.A N PHE 34.A O no hydrogen 2.933 N/A ASP 39.A N ARG 35.A O no hydrogen 2.672 N/A SER 40.A N GLU 36.A O no hydrogen 3.123 N/A SER 40.A OG GLU 36.A O no hydrogen 2.951 N/A TRP 41.A N PHE 37.A O no hydrogen 2.999 N/A ARG 42.A N LEU 38.A O no hydrogen 3.016 N/A ARG 42.A NH1 PHE 191.A O no hydrogen 3.506 N/A ARG 42.A NH2 PHE 191.A O no hydrogen 2.769 N/A LYS 43.A N ASP 39.A O no hydrogen 3.051 N/A PHE 44.A N SER 40.A O no hydrogen 2.923 N/A HIS 45.A N TRP 41.A O no hydrogen 2.925 N/A ASP 46.A N ARG 42.A O no hydrogen 3.117 N/A ALA 47.A N LYS 43.A O no hydrogen 3.074 N/A LEU 48.A N PHE 44.A O no hydrogen 2.654 N/A HIS 49.A N HIS 45.A O no hydrogen 2.813 N/A HIS 49.A NE2 ASP 55.A OD2 no hydrogen 2.985 N/A HIS 52.A N HIS 49.A O no hydrogen 3.296 N/A TYR 58.A N SER 56.A OG no hydrogen 3.214 N/A TYR 58.A OH GLU 71.A OE1 no hydrogen 2.813 N/A ALA 60.A N PHE 57.A O no hydrogen 2.919 N/A MET 61.A N PHE 57.A O no hydrogen 2.886 N/A ARG 62.A N TYR 58.A O no hydrogen 2.894 N/A ARG 62.A NE GLU 69.A OE1 no hydrogen 2.872 N/A ARG 62.A NH2 GLU 69.A OE1 no hydrogen 3.319 N/A ARG 62.A NH2 GLU 69.A OE2 no hydrogen 2.725 N/A LEU 63.A N ALA 60.A O no hydrogen 2.911 N/A ILE 64.A N ALA 60.A O no hydrogen 2.937 N/A LEU 65.A N MET 61.A O no hydrogen 2.798 N/A GLN 67.A N GLN 67.A OE1 no hydrogen 2.709 N/A GLN 67.A NE2 GLN 184.A OE1 no hydrogen 3.393 N/A LEU 68.A N LEU 65.A O no hydrogen 2.772 N/A GLU 69.A N PRO 66.A O no hydrogen 3.049 N/A ARG 70.A NE ASN 278.A O no hydrogen 3.058 N/A ARG 70.A NH1 GLN 67.A O no hydrogen 3.207 N/A ARG 70.A NH1 GLU 69.A O no hydrogen 2.804 N/A ARG 70.A NH2 ASN 278.A O no hydrogen 3.082 N/A ARG 72.A N GLU 69.A OE2 no hydrogen 2.931 N/A ARG 72.A NE TYR 75.A OH no hydrogen 3.042 N/A ARG 72.A NH1 ASN 133.A OD1 no hydrogen 2.952 N/A ARG 72.A NH1 ASP 137.A OD1 no hydrogen 2.997 N/A ARG 72.A NH2 ASN 133.A OD1 no hydrogen 3.353 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.610 N/A MET 81.A N LYS 78.A O no hydrogen 2.860 N/A LEU 82.A N LYS 78.A O no hydrogen 3.291 N/A ALA 83.A N GLU 79.A O no hydrogen 2.920 N/A LYS 84.A N THR 80.A O no hydrogen 3.311 N/A LEU 85.A N MET 81.A O no hydrogen 3.178 N/A TYR 86.A N LEU 82.A O no hydrogen 2.877 N/A TYR 86.A OH GLN 167.A OE1 no hydrogen 2.707 N/A ILE 87.A N ALA 83.A O no hydrogen 3.089 N/A GLU 88.A N LYS 84.A O no hydrogen 3.110 N/A LEU 89.A N LEU 85.A O no hydrogen 3.003 N/A LEU 90.A N TYR 86.A O no hydrogen 2.848 N/A ASN 91.A N GLU 88.A O no hydrogen 2.815 N/A LEU 92.A N ILE 87.A O no hydrogen 3.137 N/A ARG 94.A NH1 ASN 91.A OD1 no hydrogen 3.420 N/A ARG 94.A NH1 LEU 92.A O no hydrogen 2.198 N/A ARG 94.A NH2 ASN 91.A OD1 no hydrogen 3.269 N/A GLY 96.A N PRO 93.A O no hydrogen 2.974 N/A LEU 100.A N GLY 96.A O no hydrogen 3.127 N/A LYS 101.A N LYS 97.A O no hydrogen 3.091 N/A LEU 102.A N ASP 98.A O no hydrogen 3.179 N/A LEU 103.A N ALA 99.A O no hydrogen 2.981 N/A ASN 104.A N LEU 100.A O no hydrogen 2.618 N/A TYR 105.A N LEU 102.A O no hydrogen 3.439 N/A MET 111.A N ASP 108.A O no hydrogen 3.079 N/A MET 111.A N ASP 108.A OD2 no hydrogen 3.171 N/A ILE 112.A N ASP 108.A O no hydrogen 3.194 N/A ALA 113.A N PHE 109.A O no hydrogen 2.935 N/A TYR 114.A N ALA 110.A O no hydrogen 2.822 N/A PHE 115.A N MET 111.A O no hydrogen 3.064 N/A VAL 116.A N ILE 112.A O no hydrogen 3.203 N/A LEU 117.A N ALA 113.A O no hydrogen 2.809 N/A LYS 118.A N TYR 114.A O no hydrogen 2.798 N/A ARG 120.A N LEU 117.A O no hydrogen 2.984 N/A ARG 120.A NH1 VAL 116.A O no hydrogen 2.454 N/A CYS 121.A N LEU 117.A O no hydrogen 2.892 N/A GLN 123.A NE2 SER 162.A O no hydrogen 2.882 N/A SER 126.A N GLN 161.A O no hydrogen 2.960 N/A THR 128.A N GLN 131.A OE1 no hydrogen 3.123 N/A ILE 129.A N VAL 9.A O no hydrogen 2.907 N/A GLN 130.A N ALA 6.A O no hydrogen 3.248 N/A GLN 131.A N THR 128.A OG1 no hydrogen 3.026 N/A VAL 132.A N THR 128.A O no hydrogen 2.971 N/A ASN 133.A N ILE 129.A O no hydrogen 2.941 N/A ASN 133.A ND2 PRO 59.A O no hydrogen 3.044 N/A ASN 133.A ND2 ILE 129.A O no hydrogen 3.134 N/A ASP 134.A N GLN 130.A O no hydrogen 2.916 N/A LEU 135.A N GLN 131.A O no hydrogen 3.104 N/A LEU 136.A N VAL 132.A O no hydrogen 2.951 N/A ASP 137.A N ASN 133.A O no hydrogen 2.786 N/A SER 138.A N ASP 134.A O no hydrogen 2.972 N/A SER 138.A OG SER 154.A OG no hydrogen 2.841 N/A ILE 139.A N LEU 135.A O no hydrogen 2.961 N/A ALA 140.A N LEU 136.A O no hydrogen 3.007 N/A SER 141.A N ASP 137.A O no hydrogen 2.906 N/A ASN 142.A N SER 138.A O no hydrogen 3.003 N/A ASN 142.A ND2 SER 138.A O no hydrogen 2.792 N/A ASN 143.A N ILE 139.A O no hydrogen 2.872 N/A ASN 143.A ND2 ALA 74.A O no hydrogen 3.033 N/A SER 144.A N ALA 140.A O no hydrogen 3.094 N/A SER 144.A OG ALA 140.A O no hydrogen 3.366 N/A ALA 145.A N ASN 142.A O no hydrogen 3.214 N/A LYS 146.A N ASN 143.A O no hydrogen 2.845 N/A ARG 147.A N ASN 142.A O no hydrogen 2.848 N/A ILE 151.A N ARG 147.A O no hydrogen 3.211 N/A LYS 152.A N LYS 148.A O no hydrogen 3.210 N/A LYS 153.A N ASP 149.A O no hydrogen 3.010 N/A SER 154.A N LEU 150.A O no hydrogen 3.113 N/A SER 154.A OG SER 138.A OG no hydrogen 2.841 N/A SER 154.A OG LEU 150.A O no hydrogen 3.177 N/A LEU 155.A N ILE 151.A O no hydrogen 3.010 N/A LEU 156.A N LYS 152.A O no hydrogen 2.687 N/A GLN 157.A N LYS 153.A O no hydrogen 3.036 N/A LEU 158.A N SER 154.A O no hydrogen 3.118 N/A ILE 159.A N LEU 155.A O no hydrogen 2.984 N/A THR 160.A N LEU 156.A O no hydrogen 2.932 N/A THR 160.A OG1 LEU 156.A O no hydrogen 2.915 N/A GLN 161.A N GLN 157.A O no hydrogen 3.172 N/A GLN 161.A NE2 THR 160.A OG1 no hydrogen 3.136 N/A SER 162.A N ILE 159.A O no hydrogen 3.374 N/A SER 162.A OG LEU 158.A O no hydrogen 2.686 N/A SER 163.A N GLU 166.A OE2 no hydrogen 2.703 N/A SER 163.A OG GLU 166.A OE2 no hydrogen 2.841 N/A GLU 166.A N SER 163.A OG no hydrogen 3.180 N/A GLN 167.A N SER 163.A O no hydrogen 2.871 N/A GLN 167.A NE2 SER 162.A O no hydrogen 2.984 N/A LYS 168.A N ALA 164.A O no hydrogen 2.985 N/A LYS 168.A NZ GLU 19.A OE1 no hydrogen 2.947 N/A LYS 168.A NZ GLN 22.A OE1 no hydrogen 2.950 N/A TRP 169.A N LEU 165.A O no hydrogen 3.223 N/A TRP 169.A NE1 GLU 19.A OE1 no hydrogen 3.224 N/A LEU 170.A N GLU 166.A O no hydrogen 2.797 N/A ILE 171.A N GLN 167.A O no hydrogen 2.976 N/A ARG 172.A N LYS 168.A O no hydrogen 3.355 N/A ARG 172.A NE ASP 108.A OD1 no hydrogen 2.961 N/A ARG 172.A NH1 GLN 22.A OE1 no hydrogen 2.591 N/A ARG 172.A NH2 ASP 108.A OD2 no hydrogen 3.227 N/A MET 173.A N TRP 169.A O no hydrogen 2.834 N/A ILE 174.A N LEU 170.A O no hydrogen 2.828 N/A ILE 175.A N ILE 171.A O no hydrogen 2.895 N/A ASP 177.A N ARG 172.A O no hydrogen 3.089 N/A LYS 179.A NZ ASP 177.A OD2 no hydrogen 3.289 N/A SER 183.A OG THR 186.A OG1 no hydrogen 3.196 N/A GLN 185.A NE2 SER 189.A OG no hydrogen 3.116 N/A THR 186.A N SER 183.A OG no hydrogen 2.956 N/A THR 186.A OG1 SER 183.A OG no hydrogen 3.196 N/A ILE 187.A N SER 183.A O no hydrogen 3.048 N/A PHE 188.A N GLN 184.A O no hydrogen 2.937 N/A SER 189.A N GLN 185.A O no hydrogen 2.889 N/A SER 189.A OG GLN 185.A O no hydrogen 3.328 N/A VAL 190.A N THR 186.A O no hydrogen 2.890 N/A PHE 191.A N ILE 187.A O no hydrogen 3.027 N/A HIS 192.A N PHE 188.A O no hydrogen 2.987 N/A HIS 192.A NE2 ASP 214.A O no hydrogen 2.923 N/A HIS 192.A NE2 VAL 217.A O no hydrogen 3.046 N/A ASP 194.A N HIS 192.A ND1 no hydrogen 2.990 N/A ALA 195.A N HIS 192.A O no hydrogen 3.191 N/A LEU 198.A N ASP 194.A O no hydrogen 3.048 N/A HIS 199.A N ALA 195.A O no hydrogen 2.898 N/A ASN 200.A N ALA 196.A O no hydrogen 2.966 N/A ASN 200.A N GLU 197.A O no hydrogen 3.205 N/A VAL 201.A N LEU 198.A O no hydrogen 3.113 N/A THR 202.A OG1 LEU 198.A O no hydrogen 3.080 N/A THR 202.A OG1 THR 202.A O no hydrogen 2.143 N/A THR 203.A OG1 ALA 229.A O no hydrogen 2.971 N/A GLU 206.A N ASP 204.A OD1 no hydrogen 3.279 N/A VAL 208.A N ASP 204.A O no hydrogen 3.091 N/A CYS 209.A N LEU 205.A O no hydrogen 2.749 N/A ARG 210.A N GLU 206.A O no hydrogen 2.862 N/A ARG 210.A NE GLU 206.A OE1 no hydrogen 3.343 N/A ARG 210.A NE GLU 206.A OE2 no hydrogen 3.406 N/A ARG 210.A NH2 GLU 206.A OE1 no hydrogen 3.554 N/A GLN 211.A N LYS 207.A O no hydrogen 2.793 N/A LEU 212.A N VAL 208.A O no hydrogen 3.092 N/A HIS 213.A N ARG 210.A O no hydrogen 3.385 N/A SER 216.A N ASP 214.A OD1 no hydrogen 3.067 N/A SER 216.A OG ASP 214.A OD1 no hydrogen 3.095 N/A VAL 217.A N ASP 214.A O no hydrogen 3.260 N/A LEU 219.A N ASP 194.A OD2 no hydrogen 3.029 N/A SER 223.A OG ASP 221.A O no hydrogen 3.462 N/A THR 225.A OG1 SER 228.A OG no hydrogen 3.381 N/A PHE 227.A N HIS 266.A ND1 no hydrogen 2.768 N/A SER 228.A N THR 225.A O no hydrogen 3.023 N/A SER 228.A OG THR 225.A OG1 no hydrogen 3.381 N/A PHE 230.A N GLN 264.A OE1 no hydrogen 3.188 N/A LYS 231.A N ASN 200.A O no hydrogen 2.799 N/A LYS 231.A NZ HIS 199.A ND1 no hydrogen 2.981 N/A LYS 231.A NZ ASN 200.A OD1 no hydrogen 2.702 N/A MET 233.A N TYR 422.A OH no hydrogen 3.118 N/A LEU 234.A N LYS 426.A O no hydrogen 2.979 N/A ALA 236.A N TRP 431.A O no hydrogen 2.981 N/A ALA 238.A N LYS 433.A O no hydrogen 2.971 N/A HIS 242.A N ASP 239.A O no hydrogen 3.015 N/A ASP 246.A N HIS 242.A O no hydrogen 2.988 N/A MET 247.A N ILE 243.A O no hydrogen 3.127 N/A LYS 248.A N LYS 245.A O no hydrogen 2.907 N/A HIS 249.A N GLU 244.A O no hydrogen 3.094 N/A GLN 250.A N MET 247.A O no hydrogen 3.089 N/A PHE 252.A N ALA 392.A O no hydrogen 2.773 N/A TYR 253.A N LYS 416.A O no hydrogen 3.025 N/A ILE 254.A N THR 390.A O no hydrogen 2.728 N/A GLU 255.A N MET 414.A O no hydrogen 2.936 N/A THR 256.A N GLN 388.A O no hydrogen 3.212 N/A GLY 260.A N GLU 315.A OE2 no hydrogen 2.909 N/A GLU 261.A N MET 316.A O no hydrogen 3.105 N/A ARG 262.A NE ASP 313.A OD1 no hydrogen 2.942 N/A ARG 262.A NH1 MET 233.A O no hydrogen 3.451 N/A ARG 262.A NH2 MET 233.A O no hydrogen 2.901 N/A ARG 262.A NH2 ASP 313.A OD2 no hydrogen 2.827 N/A MET 263.A N GLY 314.A O no hydrogen 2.980 N/A GLN 264.A N PHE 275.A O no hydrogen 2.936 N/A GLN 264.A NE2 PHE 230.A O no hydrogen 2.851 N/A MET 265.A N LEU 312.A O no hydrogen 2.877 N/A HIS 266.A N LYS 273.A O no hydrogen 2.797 N/A HIS 266.A NE2 GLN 264.A OE1 no hydrogen 2.808 N/A LYS 267.A N CYS 310.A O no hydrogen 2.808 N/A LYS 267.A NZ GLY 269.A O no hydrogen 2.658 N/A LYS 267.A NZ TYR 272.A OH no hydrogen 2.875 N/A ASP 268.A N VAL 271.A O no hydrogen 2.950 N/A GLY 269.A N GLN 308.A O no hydrogen 2.828 N/A VAL 271.A N ASP 268.A O no hydrogen 2.971 N/A TYR 272.A N ALA 288.A O no hydrogen 2.983 N/A TYR 272.A OH HIS 300.A ND1 no hydrogen 2.597 N/A LYS 273.A N HIS 266.A O no hydrogen 2.992 N/A TYR 274.A N THR 283.A OG1 no hydrogen 3.127 N/A TYR 274.A OH THR 296.A OG1 no hydrogen 2.604 N/A PHE 275.A N GLN 264.A O no hydrogen 3.105 N/A SER 276.A N TYR 280.A O no hydrogen 3.088 N/A SER 276.A OG TYR 280.A O no hydrogen 3.362 N/A GLY 279.A N SER 276.A O no hydrogen 2.945 N/A TYR 280.A N SER 276.A OG no hydrogen 3.296 N/A TYR 282.A N TYR 274.A O no hydrogen 2.901 N/A THR 283.A N ASN 281.A OD1 no hydrogen 2.719 N/A THR 283.A OG1 ASN 281.A OD1 no hydrogen 2.551 N/A GLN 285.A N TYR 282.A O no hydrogen 3.137 N/A PHE 286.A N TYR 282.A O no hydrogen 3.343 N/A GLY 287.A N THR 283.A O no hydrogen 2.872 N/A SER 289.A OG GLU 292.A OE2 no hydrogen 3.218 N/A THR 291.A N SER 289.A OG no hydrogen 3.389 N/A GLU 292.A N SER 289.A O no hydrogen 3.490 N/A SER 294.A N GLN 285.A O no hydrogen 2.942 N/A SER 294.A OG GLN 285.A O no hydrogen 2.924 N/A LEU 295.A N PHE 286.A O no hydrogen 2.954 N/A THR 296.A N PHE 286.A O no hydrogen 2.883 N/A THR 296.A OG1 TYR 274.A OH no hydrogen 2.604 N/A THR 296.A OG1 PHE 286.A O no hydrogen 3.095 N/A THR 296.A OG1 GLY 287.A O no hydrogen 2.667 N/A PHE 298.A N LEU 295.A O no hydrogen 2.783 N/A ILE 299.A N THR 296.A O no hydrogen 3.147 N/A HIS 300.A N THR 296.A O no hydrogen 2.948 N/A HIS 300.A ND1 TYR 272.A OH no hydrogen 2.597 N/A ALA 302.A N ILE 299.A O no hydrogen 2.996 N/A LYS 304.A N ILE 376.A O no hydrogen 3.084 N/A LYS 304.A NZ SER 374.A O no hydrogen 3.169 N/A ILE 307.A N LYS 304.A O no hydrogen 3.099 N/A GLN 308.A N ASN 357.A OD1 no hydrogen 2.921 N/A ILE 309.A N ASN 357.A OD1 no hydrogen 3.227 N/A CYS 310.A N LYS 267.A O no hydrogen 3.124 N/A ILE 311.A N MET 355.A O no hydrogen 3.157 N/A LEU 312.A N MET 265.A O no hydrogen 2.800 N/A ASP 313.A N ASP 352.A O no hydrogen 2.791 N/A GLY 314.A N MET 263.A O no hydrogen 3.124 N/A GLU 315.A N CYS 349.A O no hydrogen 2.584 N/A MET 316.A N GLU 261.A O no hydrogen 2.859 N/A MET 317.A N CYS 347.A O no hydrogen 2.630 N/A TYR 319.A N GLN 345.A O no hydrogen 2.687 N/A ASN 320.A N THR 325.A O no hydrogen 2.770 N/A ASN 322.A N ASN 320.A OD1 no hydrogen 2.841 N/A THR 323.A N ASN 320.A OD1 no hydrogen 3.314 N/A THR 323.A OG1 THR 325.A OG1 no hydrogen 2.848 N/A THR 325.A N ASN 320.A O no hydrogen 3.221 N/A THR 325.A OG1 THR 323.A OG1 no hydrogen 2.848 N/A THR 325.A OG1 CYS 494.A O no hydrogen 3.052 N/A MET 327.A N ALA 318.A O no hydrogen 2.822 N/A GLN 328.A N THR 495.A O no hydrogen 2.732 N/A GLN 328.A NE2 GLY 330.A O no hydrogen 2.723 N/A LYS 329.A NZ ASP 259.A OD1 no hydrogen 2.610 N/A LYS 329.A NZ GLY 260.A O no hydrogen 2.673 N/A THR 331.A OG1 GLU 498.A OE2 no hydrogen 2.649 N/A PHE 333.A N THR 331.A OG1 no hydrogen 3.278 N/A MET 338.A N ASP 334.A O no hydrogen 3.009 N/A VAL 339.A N ILE 335.A O no hydrogen 2.881 N/A GLU 340.A N LYS 336.A O no hydrogen 2.910 N/A ASP 341.A N ARG 337.A O no hydrogen 2.556 N/A ASP 343.A N MET 338.A O no hydrogen 2.641 N/A LEU 344.A N MET 338.A O no hydrogen 2.915 N/A GLN 345.A N TYR 319.A O no hydrogen 2.943 N/A GLN 345.A NE2 GLY 382.A O no hydrogen 2.947 N/A CYS 347.A N MET 317.A O no hydrogen 2.813 N/A TYR 348.A N ARG 383.A O no hydrogen 2.654 N/A TYR 348.A OH MET 263.A O no hydrogen 2.790 N/A CYS 349.A N GLU 315.A O no hydrogen 2.676 N/A VAL 350.A N GLU 385.A O no hydrogen 2.751 N/A PHE 351.A N ASP 313.A O no hydrogen 3.136 N/A ASP 352.A N ASP 313.A O no hydrogen 3.161 N/A VAL 353.A N ASP 352.A OD1 no hydrogen 2.856 N/A LEU 354.A N ILE 311.A O no hydrogen 2.867 N/A VAL 356.A N LYS 359.A O no hydrogen 3.100 N/A ASN 357.A N ILE 309.A O no hydrogen 2.614 N/A ASN 357.A ND2 ASP 306.A O no hydrogen 3.022 N/A LYS 359.A N VAL 356.A O no hydrogen 3.043 N/A LYS 360.A NZ ILE 224.A O no hydrogen 3.425 N/A LEU 361.A N LEU 354.A O no hydrogen 2.877 N/A GLU 364.A N LEU 361.A O no hydrogen 3.111 N/A LEU 366.A N SER 420.A O no hydrogen 2.775 N/A ARG 367.A N PRO 418.A O no hydrogen 3.049 N/A ARG 367.A NE TYR 253.A OH no hydrogen 3.501 N/A LYS 368.A N THR 365.A OG1 no hydrogen 3.007 N/A LYS 368.A NZ GLU 371.A OE1 no hydrogen 2.995 N/A ARG 369.A N THR 365.A O no hydrogen 2.742 N/A ARG 369.A NE ASP 352.A OD1 no hydrogen 2.864 N/A ARG 369.A NH1 ASP 352.A OD2 no hydrogen 2.999 N/A ARG 369.A NH2 GLU 364.A O no hydrogen 2.852 N/A ARG 369.A NH2 SER 420.A O no hydrogen 3.157 N/A TYR 370.A N LEU 366.A O no hydrogen 2.830 N/A TYR 370.A OH GLU 255.A OE2 no hydrogen 2.296 N/A GLU 371.A N ARG 367.A O no hydrogen 3.305 N/A ILE 372.A N LYS 368.A O no hydrogen 3.080 N/A LEU 373.A N ARG 369.A O no hydrogen 2.978 N/A SER 374.A N TYR 370.A O no hydrogen 3.395 N/A SER 374.A OG GLU 371.A O no hydrogen 2.635 N/A SER 375.A N ILE 372.A O no hydrogen 2.791 N/A SER 375.A OG ILE 372.A O no hydrogen 2.388 N/A ILE 376.A N LEU 373.A O no hydrogen 3.066 N/A THR 378.A N ALA 302.A O no hydrogen 2.877 N/A ILE 380.A N ILE 384.A O no hydrogen 2.820 N/A GLY 382.A N GLU 385.A OE2 no hydrogen 2.690 N/A ARG 383.A N ILE 380.A O no hydrogen 2.899 N/A ILE 384.A N ILE 380.A O no hydrogen 3.040 N/A GLU 385.A N TYR 348.A O no hydrogen 2.955 N/A VAL 387.A N VAL 350.A O no hydrogen 2.903 N/A THR 390.A N ILE 254.A O no hydrogen 2.847 N/A ALA 392.A N PHE 252.A O no hydrogen 2.802 N/A HIS 393.A N GLU 397.A OE1 no hydrogen 2.847 N/A THR 394.A N GLU 397.A OE1 no hydrogen 2.887 N/A THR 394.A OG1 GLU 397.A OE1 no hydrogen 3.341 N/A LYS 395.A N GLU 244.A OE2 no hydrogen 3.331 N/A LYS 395.A NZ GLU 241.A OE1 no hydrogen 2.503 N/A VAL 398.A N THR 394.A O no hydrogen 3.268 N/A ILE 399.A N LYS 395.A O no hydrogen 2.915 N/A ASP 400.A N ASN 396.A O no hydrogen 2.914 N/A ALA 401.A N GLU 397.A O no hydrogen 2.941 N/A LEU 402.A N VAL 398.A O no hydrogen 3.009 N/A ASN 403.A N ILE 399.A O no hydrogen 2.930 N/A GLU 404.A N ASP 400.A O no hydrogen 2.865 N/A ALA 405.A N ALA 401.A O no hydrogen 2.737 N/A ILE 406.A N LEU 402.A O no hydrogen 3.046 N/A ASP 407.A N ASN 403.A O no hydrogen 3.156 N/A LYS 408.A N GLU 404.A O no hydrogen 3.078 N/A LYS 408.A N ALA 405.A O no hydrogen 3.094 N/A ARG 409.A N ILE 406.A O no hydrogen 2.954 N/A ARG 409.A NH1 THR 495.A OG1 no hydrogen 2.717 N/A GLU 410.A N ALA 405.A O no hydrogen 2.967 N/A ILE 413.A N ILE 434.A O no hydrogen 2.799 N/A MET 414.A N GLU 255.A O no hydrogen 2.847 N/A VAL 415.A N LEU 432.A O no hydrogen 2.902 N/A LYS 416.A N TYR 253.A O no hydrogen 3.018 N/A LYS 416.A NZ GLU 255.A OE1 no hydrogen 2.768 N/A GLN 417.A N GLY 430.A O no hydrogen 2.969 N/A GLN 417.A NE2 ASP 246.A O no hydrogen 3.162 N/A SER 420.A N GLN 417.A O no hydrogen 2.926 N/A SER 420.A OG GLN 417.A O no hydrogen 2.715 N/A TYR 422.A N GLY 362.A O no hydrogen 3.032 N/A TYR 422.A OH ASP 313.A OD2 no hydrogen 2.791 N/A ASP 425.A N PRO 232.A O no hydrogen 3.046 N/A LYS 426.A N LYS 423.A O no hydrogen 3.173 N/A ARG 427.A NH2 ALA 235.A O no hydrogen 3.002 N/A GLY 428.A N LEU 234.A O no hydrogen 3.401 N/A TRP 431.A N GLY 428.A O no hydrogen 3.177 N/A LEU 432.A N VAL 415.A O no hydrogen 2.758 N/A LYS 433.A N ALA 236.A O no hydrogen 2.769 N/A ILE 434.A N ILE 413.A O no hydrogen 2.849 N/A TYR 438.A OH PHE 562.A O no hydrogen 2.683 N/A ASP 444.A N GLY 441.A O no hydrogen 3.310 N/A GLU 445.A N LEU 442.A O no hydrogen 2.876 N/A LEU 446.A N ILE 543.A O no hydrogen 2.910 N/A ILE 448.A N VAL 541.A O no hydrogen 3.042 N/A LEU 449.A N ALA 470.A O no hydrogen 3.263 N/A ILE 450.A N VAL 539.A O no hydrogen 3.246 N/A VAL 451.A N LEU 468.A O no hydrogen 2.822 N/A GLY 452.A N LEU 468.A O no hydrogen 3.290 N/A GLY 453.A N VAL 531.A O no hydrogen 2.811 N/A TYR 454.A N HIS 466.A O no hydrogen 3.108 N/A TYR 454.A OH GLU 527.A OE2 no hydrogen 2.498 N/A TYR 454.A OH LYS 528.A O no hydrogen 3.223 N/A TRP 455.A N GLU 530.A OE1 no hydrogen 2.969 N/A GLY 456.A N MET 463.A O no hydrogen 2.770 N/A ARG 460.A N LYS 457.A O no hydrogen 2.947 N/A ARG 460.A NH1 THR 323.A O no hydrogen 2.833 N/A GLY 461.A N GLY 458.A O no hydrogen 3.065 N/A MET 463.A N ARG 460.A O no hydrogen 3.037 N/A SER 465.A N TYR 454.A O no hydrogen 2.759 N/A SER 465.A OG TYR 454.A O no hydrogen 3.420 N/A SER 465.A OG HIS 466.A ND1 no hydrogen 2.729 N/A HIS 466.A ND1 SER 465.A OG no hydrogen 2.729 N/A HIS 466.A NE2 ASP 407.A OD2 no hydrogen 2.670 N/A PHE 467.A N VAL 490.A O no hydrogen 2.843 N/A LEU 468.A N GLY 452.A O no hydrogen 2.755 N/A CYS 469.A N SER 488.A O no hydrogen 2.865 N/A ALA 470.A N LEU 449.A O no hydrogen 2.942 N/A VAL 471.A N HIS 485.A O no hydrogen 2.868 N/A ALA 472.A N MET 578.A O no hydrogen 2.976 N/A GLU 473.A N VAL 483.A O no hydrogen 2.866 N/A GLU 479.A N PRO 476.A O no hydrogen 3.259 N/A PHE 484.A N SER 521.A O no hydrogen 2.723 N/A HIS 485.A N VAL 471.A O no hydrogen 2.851 N/A THR 486.A N LEU 523.A O no hydrogen 3.089 N/A THR 486.A OG1 LEU 523.A O no hydrogen 3.538 N/A LEU 487.A N CYS 469.A O no hydrogen 2.803 N/A SER 488.A N CYS 469.A O no hydrogen 3.281 N/A SER 488.A OG ARG 489.A O no hydrogen 2.960 N/A ARG 489.A NE GLU 527.A OE2 no hydrogen 3.331 N/A VAL 490.A N PHE 467.A O no hydrogen 2.868 N/A SER 492.A N SER 465.A O no hydrogen 2.630 N/A THR 495.A N GLY 493.A O no hydrogen 2.744 N/A THR 495.A OG1 GLN 328.A OE1 no hydrogen 2.758 N/A LYS 497.A NZ ASP 501.A OD1 no hydrogen 3.215 N/A LEU 499.A N MET 496.A O no hydrogen 3.008 N/A ASP 501.A N LYS 497.A O no hydrogen 2.740 N/A LEU 502.A N GLU 498.A O no hydrogen 2.912 N/A GLY 503.A N LEU 499.A O no hydrogen 3.014 N/A LEU 504.A N TYR 500.A O no hydrogen 3.319 N/A LYS 505.A N ASP 501.A O no hydrogen 3.031 N/A LEU 506.A N LEU 502.A O no hydrogen 3.076 N/A TYR 509.A N LEU 506.A O no hydrogen 2.934 N/A LYS 511.A N TYR 532.A O no hydrogen 2.906 N/A LYS 511.A NZ GLU 534.A OE2 no hydrogen 2.639 N/A PHE 513.A N GLU 530.A O no hydrogen 3.052 N/A ALA 517.A N HIS 514.A O no hydrogen 3.065 N/A ILE 522.A N PRO 519.A O no hydrogen 3.419 N/A LEU 523.A N PHE 484.A O no hydrogen 2.776 N/A CYS 524.A SG GLU 527.A O no hydrogen 3.894 N/A THR 526.A N ASP 552.A O no hydrogen 3.300 N/A THR 526.A OG1 ASP 552.A O no hydrogen 3.473 N/A GLU 527.A N MET 553.A O no hydrogen 3.009 N/A LYS 528.A NZ GLY 525.A O no hydrogen 2.979 N/A GLU 530.A N GLY 453.A O no hydrogen 3.051 N/A VAL 531.A N GLY 453.A O no hydrogen 3.298 N/A TYR 532.A N LYS 511.A O no hydrogen 2.906 N/A ILE 533.A N VAL 451.A O no hydrogen 3.088 N/A ASN 537.A N GLU 534.A O no hydrogen 2.859 N/A SER 538.A N PRO 535.A O no hydrogen 2.830 N/A SER 538.A OG ILE 450.A O no hydrogen 2.703 N/A VAL 541.A N ILE 448.A O no hydrogen 2.851 N/A GLN 542.A N LYS 567.A O no hydrogen 2.865 N/A ILE 543.A N LEU 446.A O no hydrogen 2.714 N/A LYS 544.A N ARG 564.A O no hydrogen 2.836 N/A ALA 545.A N MET 443.A O no hydrogen 3.273 N/A ALA 546.A N ARG 561.A O no hydrogen 2.948 N/A VAL 549.A N THR 559.A O no hydrogen 2.938 N/A SER 551.A N GLY 557.A O no hydrogen 3.051 N/A MET 553.A N SER 551.A OG no hydrogen 3.174 N/A LYS 555.A N THR 486.A OG1 no hydrogen 2.933 N/A THR 556.A N THR 486.A O no hydrogen 3.138 N/A THR 556.A OG1 THR 486.A O no hydrogen 3.474 N/A THR 556.A OG1 CYS 558.A O no hydrogen 3.104 N/A GLY 557.A N TYR 554.A O no hydrogen 2.887 N/A CYS 558.A SG THR 556.A OG1 no hydrogen 3.384 N/A THR 559.A N VAL 549.A O no hydrogen 2.685 N/A THR 559.A OG1 LEU 487.A O no hydrogen 2.572 N/A ARG 561.A N GLU 547.A O no hydrogen 2.705 N/A ARG 564.A N LYS 544.A O no hydrogen 2.809 N/A ARG 564.A NH1 ARG 409.A O no hydrogen 2.712 N/A GLU 566.A N GLN 542.A O no hydrogen 2.717 N/A LYS 567.A N GLN 542.A O no hydrogen 3.426 N/A ARG 569.A N ILE 540.A O no hydrogen 2.853 N/A ARG 569.A NH1 ASP 447.A OD2 no hydrogen 3.447 N/A LYS 572.A N ARG 569.A O no hydrogen 2.961 N/A GLU 573.A N GLU 576.A OE2 no hydrogen 2.827 N/A GLU 576.A N GLU 573.A O no hydrogen 2.966 N/A CYS 577.A SG ALA 470.A O no hydrogen 3.617 N/A CYS 577.A SG MET 578.A O no hydrogen 3.291 N/A MET 578.A N ASP 447.A O no hydrogen 2.950 N/A THR 579.A N ASP 582.A OD1 no hydrogen 2.610 N/A THR 579.A OG1 ASP 582.A OD1 no hydrogen 2.983 N/A LEU 580.A N ALA 472.A O no hydrogen 2.789 N/A ASP 582.A N THR 579.A OG1 no hydrogen 3.061 N/A LEU 583.A N THR 579.A O no hydrogen 2.949 N/A GLU 584.A N LEU 580.A O no hydrogen 2.820 N/A GLN 585.A N ASP 581.A O no hydrogen 2.970 N/A LEU 586.A N ASP 582.A O no hydrogen 2.924 N/A ARG 587.A N LEU 583.A O no hydrogen 3.074 N/A LYS 589.A N LEU 586.A O no hydrogen 3.309 N/A