Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4j3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASN 408.A O no hydrogen 2.908 N/A ARG 5.A N THR 89.A OG1 no hydrogen 2.840 N/A ARG 5.A NE ASP 3.A OD1 no hydrogen 2.959 N/A ARG 5.A NE ASP 3.A OD2 no hydrogen 3.117 N/A ARG 5.A NH1 ASP 87.A OD1 no hydrogen 3.472 N/A ARG 5.A NH1 ASP 87.A OD2 no hydrogen 2.847 N/A ARG 5.A NH2 ASP 3.A OD2 no hydrogen 2.873 N/A ARG 5.A NH2 ASP 87.A OD1 no hydrogen 2.862 N/A ALA 6.A N GLY 90.A O no hydrogen 3.467 N/A TYR 7.A N ALA 15.A O no hydrogen 2.803 N/A TRP 8.A N GLN 92.A O no hydrogen 2.918 N/A VAL 9.A N LEU 13.A O no hydrogen 3.062 N/A THR 10.A N LEU 13.A O no hydrogen 3.291 N/A THR 10.A OG1 ASP 12.A OD1 no hydrogen 3.056 N/A SER 11.A N ASP 99.A OD2 no hydrogen 2.889 N/A SER 11.A OG ASP 99.A OD2 no hydrogen 3.450 N/A LEU 13.A N THR 10.A O no hydrogen 3.275 N/A ILE 14.A N PHE 64.A O no hydrogen 2.859 N/A ALA 15.A N TYR 7.A O no hydrogen 2.709 N/A TRP 16.A N ARG 62.A O no hydrogen 2.989 N/A ASN 17.A N ASN 17.A OD1 no hydrogen 2.662 N/A VAL 18.A N TRP 16.A O no hydrogen 2.975 N/A SER 20.A OG PHE 85.A O no hydrogen 3.242 N/A CYS 22.A N ALA 83.A O no hydrogen 2.965 N/A CYS 22.A SG.A GLU 39.A OE1 no hydrogen 2.713 N/A CYS 22.A SG.A GLU 39.A OE2 no hydrogen 2.772 N/A CYS 22.A SG.B LEU 23.A O no hydrogen 3.810 N/A CYS 22.A SG.B VAL 38.A O no hydrogen 3.346 N/A CYS 22.A SG.B GLU 39.A OE2 no hydrogen 3.493 N/A LEU 23.A N VAL 38.A O no hydrogen 2.753 N/A TYR 24.A N VAL 81.A O no hydrogen 2.780 N/A ALA 25.A N SER 36.A O no hydrogen 2.968 N/A SER 26.A N GLN 79.A O no hydrogen 2.935 N/A ARG 27.A N ASP 35.A OD2 no hydrogen 2.693 N/A ALA 29.A N SER 26.A O no hydrogen 3.121 N/A ALA 30.A N SER 26.A OG no hydrogen 2.929 N/A MET 31.A N GLN 79.A OE1 no hydrogen 3.058 N/A ASP 35.A N ALA 25.A O no hydrogen 2.658 N/A SER 36.A N ALA 25.A O no hydrogen 3.183 N/A LYS 37.A NZ GLU 39.A OE2 no hydrogen 2.864 N/A VAL 38.A N LEU 23.A O no hydrogen 2.842 N/A LEU 40.A N VAL 21.A O no hydrogen 2.989 N/A GLU 43.A N ALA 63.A O no hydrogen 2.889 N/A ALA 45.A N GLU 43.A OE2 no hydrogen 3.122 N/A GLY 46.A N GLU 43.A O no hydrogen 3.030 N/A VAL 51.A N PRO 48.A O no hydrogen 2.984 N/A THR 52.A N PRO 48.A O no hydrogen 3.207 N/A THR 52.A OG1 GLU 49.A O no hydrogen 3.133 N/A GLN 53.A N GLU 49.A O no hydrogen 2.899 N/A LYS 54.A N THR 50.A O no hydrogen 3.180 N/A LYS 54.A NZ ASP 98.A OD2 no hydrogen 2.699 N/A PHE 55.A N VAL 51.A O no hydrogen 2.831 N/A ILE 58.A N PHE 55.A O no hydrogen 3.150 N/A SER 59.A N PRO 56.A O no hydrogen 3.075 N/A SER 59.A OG PRO 56.A O no hydrogen 3.060 N/A TYR 61.A N ILE 58.A O no hydrogen 2.966 N/A ARG 62.A NE VAL 18.A O no hydrogen 2.872 N/A ARG 62.A NE GLY 19.A O no hydrogen 3.132 N/A PHE 64.A N ILE 14.A O no hydrogen 2.794 N/A ARG 65.A N GLN 41.A O no hydrogen 2.758 N/A ARG 65.A NE GLU 43.A OE1 no hydrogen 2.600 N/A ARG 65.A NH2 GLU 43.A OE1 no hydrogen 3.265 N/A VAL 66.A N ASP 12.A O no hydrogen 2.799 N/A VAL 70.A N PRO 67.A O no hydrogen 2.992 N/A SER 74.A N ASP 71.A OD1 no hydrogen 3.268 N/A SER 74.A OG ASP 71.A OD2 no hydrogen 2.858 N/A LEU 75.A N ASP 71.A O no hydrogen 3.042 N/A VAL 76.A N VAL 72.A O no hydrogen 3.031 N/A LYS 77.A N SER 74.A O no hydrogen 3.183 N/A LYS 77.A NZ PRO 123.A O no hydrogen 2.996 N/A LYS 77.A NZ ALA 125.A O no hydrogen 2.711 N/A LYS 77.A NZ GLU 148.A OE1 no hydrogen 3.251 N/A LYS 77.A NZ GLU 148.A OE2 no hydrogen 2.656 N/A CYS 78.A N LEU 75.A O no hydrogen 2.951 N/A CYS 78.A SG SER 74.A O no hydrogen 3.632 N/A GLN 79.A N SER 26.A O no hydrogen 2.997 N/A GLN 79.A NE2 TYR 173.A OH no hydrogen 3.552 N/A VAL 81.A N TYR 24.A O no hydrogen 3.049 N/A VAL 82.A N THR 89.A O no hydrogen 2.924 N/A ALA 83.A N CYS 22.A O no hydrogen 2.839 N/A SER 84.A N ASP 87.A O no hydrogen 2.782 N/A PHE 85.A N SER 20.A O no hydrogen 3.371 N/A ASP 87.A N SER 84.A O no hydrogen 2.788 N/A THR 89.A N VAL 82.A O no hydrogen 3.017 N/A THR 89.A OG1 ASP 3.A OD2 no hydrogen 2.666 N/A GLY 90.A N ASP 3.A O no hydrogen 2.840 N/A GLN 92.A N ALA 6.A O no hydrogen 2.844 N/A GLN 92.A NE2 ALA 4.A O no hydrogen 2.797 N/A GLN 92.A NE2 ASP 406.A O no hydrogen 3.157 N/A VAL 96.A N TRP 8.A O no hydrogen 2.832 N/A LEU 97.A N LEU 93.A O no hydrogen 2.970 N/A ASP 98.A N PRO 94.A O no hydrogen 2.974 N/A ASP 99.A N GLY 95.A O no hydrogen 2.903 N/A MET 100.A N VAL 96.A O no hydrogen 2.896 N/A PHE 101.A N LEU 97.A O no hydrogen 2.827 N/A ALA 102.A N ASP 98.A O no hydrogen 3.147 N/A TYR 103.A OH PRO 106.A O no hydrogen 2.828 N/A GLY 108.A N HIS 119.A O no hydrogen 3.023 N/A VAL 110.A N SER 117.A O no hydrogen 3.004 N/A SER 112.A N SER 115.A O no hydrogen 2.901 N/A VAL 116.A N GLY 157.A O no hydrogen 2.951 N/A SER 117.A N VAL 110.A O no hydrogen 2.939 N/A LEU 118.A N VAL 155.A O no hydrogen 2.907 N/A HIS 119.A N GLY 108.A O no hydrogen 3.094 N/A LEU 120.A N TRP 153.A O no hydrogen 2.849 N/A TRP 121.A NE1 PHE 101.A O no hydrogen 2.783 N/A ALA 122.A N GLY 151.A O no hydrogen 2.913 N/A ALA 125.A N ALA 122.A O no hydrogen 3.138 N/A GLN 126.A N ASP 171.A O no hydrogen 2.756 N/A GLN 126.A NE2 ARG 27.A O no hydrogen 2.829 N/A GLN 126.A NE2 LYS 77.A O no hydrogen 2.925 N/A SER 129.A N GLU 169.A O no hydrogen 2.959 N/A VAL 130.A N VAL 144.A O no hydrogen 2.798 N/A CYS 131.A N LEU 167.A O no hydrogen 2.802 N/A PHE 132.A N GLU 142.A O no hydrogen 2.876 N/A PHE 133.A N TYR 165.A O no hydrogen 2.816 N/A LEU 141.A N PHE 132.A O no hydrogen 2.719 N/A VAL 144.A N VAL 130.A O no hydrogen 2.880 N/A LEU 146.A N VAL 128.A O no hydrogen 2.984 N/A LYS 147.A N SER 154.A O no hydrogen 2.908 N/A LYS 147.A NZ GLU 148.A O no hydrogen 2.847 N/A SER 149.A N VAL 152.A O no hydrogen 2.881 N/A VAL 152.A N SER 149.A O no hydrogen 2.972 N/A TRP 153.A N LEU 120.A O no hydrogen 2.808 N/A TRP 153.A NE1 ALA 122.A O no hydrogen 2.935 N/A SER 154.A N LYS 147.A O no hydrogen 2.831 N/A VAL 155.A N LEU 118.A O no hydrogen 3.154 N/A GLY 157.A N VAL 116.A O no hydrogen 2.784 N/A ARG 159.A NE GLU 162.A OE1 no hydrogen 2.812 N/A ARG 159.A NH1 SER 112.A O no hydrogen 2.691 N/A ARG 159.A NH2 GLU 162.A OE1 no hydrogen 3.041 N/A TRP 161.A N PRO 158.A O no hydrogen 3.115 N/A GLU 162.A N ARG 159.A O no hydrogen 3.009 N/A ASN 163.A N LEU 202.A O no hydrogen 2.728 N/A ARG 164.A N TRP 161.A O no hydrogen 3.037 N/A ARG 164.A NH1 GLU 142.A OE1 no hydrogen 2.681 N/A ARG 164.A NH2 GLU 142.A OE1 no hydrogen 3.333 N/A TYR 165.A N PHE 133.A O no hydrogen 3.044 N/A TYR 166.A N THR 200.A O no hydrogen 2.799 N/A TYR 166.A OH ASP 187.A OD2 no hydrogen 2.667 N/A LEU 167.A N CYS 131.A O no hydrogen 3.001 N/A TYR 168.A N ALA 185.A O no hydrogen 2.824 N/A TYR 168.A OH ASP 187.A OD2 no hydrogen 2.757 N/A GLU 169.A N SER 129.A O no hydrogen 2.763 N/A VAL 170.A N CYS 183.A O no hydrogen 2.755 N/A ASP 171.A N GLY 127.A O no hydrogen 2.886 N/A VAL 172.A N LEU 181.A O no hydrogen 3.008 N/A HIS 174.A N GLN 179.A O no hydrogen 2.949 N/A HIS 174.A NE2 LYS 396.A O no hydrogen 2.899 N/A LYS 177.A N HIS 174.A O no hydrogen 3.014 N/A GLN 179.A NE2 LYS 177.A O no hydrogen 3.415 N/A LEU 181.A N VAL 172.A O no hydrogen 2.968 N/A LYS 182.A NZ ASP 171.A OD1 no hydrogen 3.170 N/A LYS 182.A NZ ASP 171.A OD2 no hydrogen 3.414 N/A CYS 183.A N VAL 170.A O no hydrogen 2.791 N/A CYS 183.A SG HIS 174.A NE2 no hydrogen 3.606 N/A CYS 183.A SG LEU 181.A O no hydrogen 3.850 N/A ALA 185.A N TYR 168.A O no hydrogen 2.821 N/A ASP 187.A N THR 200.A OG1 no hydrogen 3.225 N/A TYR 189.A N ASP 187.A OD1 no hydrogen 2.881 N/A TYR 189.A OH ASP 433.A OD2 no hydrogen 2.665 N/A ALA 190.A N ASP 187.A O no hydrogen 2.886 N/A ARG 191.A NH1 ALA 190.A O no hydrogen 3.052 N/A LEU 193.A N SER 192.A OG no hydrogen 2.823 N/A SER 194.A N ARG 199.A O no hydrogen 2.917 N/A SER 194.A OG ARG 199.A O no hydrogen 3.433 N/A ALA 195.A N ASP 351.A OD1 no hydrogen 2.949 N/A ASN 196.A N ASP 294.A OD2 no hydrogen 2.742 N/A ASN 196.A ND2 ASP 293.A OD1 no hydrogen 2.872 N/A GLY 197.A N SER 194.A O no hydrogen 2.927 N/A ALA 198.A N ALA 195.A O no hydrogen 3.369 N/A ARG 199.A N SER 194.A OG no hydrogen 2.955 N/A ARG 199.A NH1 GLY 135.A O no hydrogen 3.295 N/A ARG 199.A NH1 GLY 138.A O no hydrogen 2.603 N/A ARG 199.A NH2 GLY 138.A O no hydrogen 2.820 N/A THR 200.A N TYR 166.A O no hydrogen 2.871 N/A TRP 201.A N SER 192.A O no hydrogen 2.929 N/A TRP 201.A NE1 ASN 163.A O no hydrogen 2.970 N/A LEU 202.A N ARG 164.A O no hydrogen 2.780 N/A VAL 203.A N TRP 201.A O no hydrogen 2.784 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 3.036 N/A ASN 207.A N ASP 204.A O no hydrogen 2.918 N/A THR 209.A N ASN 207.A OD1 no hydrogen 3.027 N/A THR 209.A OG1 ASN 207.A OD1 no hydrogen 2.539 N/A LEU 210.A N ASN 207.A O no hydrogen 3.098 N/A LYS 211.A N GLU 208.A O no hydrogen 3.218 N/A LYS 211.A NZ GLU 208.A OE2 no hydrogen 3.407 N/A LYS 211.A NZ ASP 216.A OD1 no hydrogen 3.154 N/A LYS 211.A NZ ASP 216.A OD2 no hydrogen 3.454 N/A TRP 215.A N PRO 212.A O no hydrogen 3.132 N/A GLU 217.A N SER 214.A O no hydrogen 2.986 N/A LEU 218.A N TRP 215.A O no hydrogen 3.056 N/A ASP 220.A N GLU 217.A O no hydrogen 3.109 N/A GLU 221.A N LEU 218.A O no hydrogen 2.876 N/A LYS 222.A N ALA 219.A O no hydrogen 3.429 N/A LYS 222.A NZ ASN 367.A OD1 no hydrogen 2.748 N/A LYS 222.A NZ LYS 443.A O no hydrogen 2.717 N/A LYS 222.A NZ ASP 445.A OD1 no hydrogen 2.805 N/A LYS 222.A NZ ASP 445.A OD2 no hydrogen 3.316 N/A SER 227.A OG SER 229.A OG no hydrogen 2.645 N/A SER 229.A N SER 227.A OG no hydrogen 3.073 N/A SER 229.A OG SER 227.A OG no hydrogen 2.645 N/A SER 229.A OG ARG 749.A O no hydrogen 3.153 N/A ASP 230.A N SER 227.A O no hydrogen 3.064 N/A ILE 231.A N PHE 228.A O no hydrogen 3.177 N/A THR 232.A N THR 279.A OG1 no hydrogen 2.915 N/A THR 232.A OG1 TYR 743.A OH no hydrogen 2.829 N/A ILE 233.A N PRO 658.A O no hydrogen 2.965 N/A TYR 234.A N HIS 280.A O no hydrogen 2.965 N/A TYR 234.A OH GLU 665.A OE2 no hydrogen 2.666 N/A GLU 235.A N PHE 660.A O no hydrogen 2.871 N/A LEU 236.A N HIS 282.A O no hydrogen 2.826 N/A HIS 237.A NE2 ASN 331.A O no hydrogen 2.922 N/A ARG 239.A N HIS 237.A ND1 no hydrogen 3.243 N/A ARG 239.A NE ASP 681.A OD1 no hydrogen 3.156 N/A ARG 239.A NE ASP 681.A OD2 no hydrogen 2.887 N/A ARG 239.A NH2 ASP 681.A OD2 no hydrogen 2.936 N/A ASP 240.A N HIS 237.A ND1 no hydrogen 3.339 N/A PHE 241.A N HIS 237.A O no hydrogen 3.061 N/A SER 242.A N ARG 239.A O no hydrogen 3.191 N/A ALA 243.A N ARG 239.A O no hydrogen 2.880 N/A HIS 244.A NE2 GLU 304.A OE2 no hydrogen 2.721 N/A ASP 245.A N SER 242.A O no hydrogen 3.081 N/A THR 247.A N ASP 245.A OD1 no hydrogen 3.039 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 2.607 N/A THR 247.A OG1 ASP 245.A OD2 no hydrogen 3.371 N/A VAL 248.A N ASP 245.A O no hydrogen 3.035 N/A ASP 251.A N ASP 249.A OD1 no hydrogen 3.198 N/A SER 252.A N ASP 249.A O no hydrogen 2.839 N/A SER 252.A OG ASP 249.A OD2 no hydrogen 3.101 N/A SER 252.A OG TYR 261.A OH no hydrogen 3.308 N/A ARG 253.A N SER 250.A O no hydrogen 3.263 N/A ARG 253.A NH1 ASP 245.A O no hydrogen 3.448 N/A ARG 253.A NH1 VAL 248.A O no hydrogen 2.627 N/A GLY 254.A N SER 242.A OG no hydrogen 2.703 N/A PHE 256.A N TYR 346.A O no hydrogen 2.874 N/A ARG 257.A NE SER 252.A OG no hydrogen 3.002 N/A ALA 258.A N GLY 255.A O no hydrogen 3.382 N/A PHE 259.A N PHE 256.A O no hydrogen 3.163 N/A ALA 260.A N ARG 257.A O no hydrogen 2.909 N/A TYR 261.A N ALA 258.A O no hydrogen 3.323 N/A TYR 261.A OH SER 252.A OG no hydrogen 3.308 N/A SER 264.A N TYR 261.A O no hydrogen 3.319 N/A SER 264.A OG TYR 261.A O no hydrogen 3.129 N/A ALA 265.A N THR 247.A OG1 no hydrogen 2.893 N/A GLY 266.A N ASP 245.A OD2 no hydrogen 2.993 N/A MET 267.A N SER 264.A OG no hydrogen 3.014 N/A GLU 268.A N SER 264.A O no hydrogen 2.891 N/A HIS 269.A N ALA 265.A O no hydrogen 2.976 N/A HIS 269.A ND1 TYR 690.A OH no hydrogen 2.754 N/A HIS 269.A NE2 GLU 665.A OE2 no hydrogen 2.644 N/A LEU 270.A N GLY 266.A O no hydrogen 3.013 N/A ARG 271.A N MET 267.A O no hydrogen 2.833 N/A LYS 272.A N GLU 268.A O no hydrogen 2.939 N/A LEU 273.A N HIS 269.A O no hydrogen 3.103 N/A SER 274.A N LEU 270.A O no hydrogen 2.840 N/A SER 274.A OG ILE 369.A O no hydrogen 2.607 N/A ASP 275.A N ARG 271.A O no hydrogen 2.835 N/A ALA 276.A N LYS 272.A O no hydrogen 3.130 N/A GLY 277.A N LEU 273.A O no hydrogen 3.225 N/A GLY 277.A N SER 274.A O no hydrogen 2.965 N/A LEU 278.A N LEU 273.A O no hydrogen 3.097 N/A THR 279.A N THR 232.A OG1 no hydrogen 3.174 N/A THR 279.A OG1 THR 232.A O no hydrogen 3.108 N/A THR 279.A OG1 HIS 280.A ND1 no hydrogen 2.765 N/A HIS 280.A N THR 232.A O no hydrogen 2.955 N/A HIS 280.A ND1 THR 279.A OG1 no hydrogen 2.765 N/A VAL 281.A N ARG 372.A O no hydrogen 2.835 N/A HIS 282.A N TYR 234.A O no hydrogen 2.856 N/A HIS 282.A NE2 ASP 376.A OD2 no hydrogen 2.932 N/A LEU 283.A N VAL 374.A O no hydrogen 2.883 N/A LEU 284.A N LEU 236.A O no hydrogen 2.983 N/A SER 286.A OG TYR 359.A OH no hydrogen 2.730 N/A HIS 288.A N LEU 338.A O no hydrogen 3.200 N/A ALA 290.A N ASN 335.A O no hydrogen 2.956 N/A ASP 294.A N ASN 196.A OD1 no hydrogen 2.833 N/A ILE 295.A N ASP 293.A OD1 no hydrogen 2.970 N/A LYS 296.A NZ ALA 347.A O no hydrogen 2.552 N/A LYS 296.A NZ SER 348.A O no hydrogen 3.069 N/A ASN 298.A N ILE 295.A O no hydrogen 2.959 N/A ASN 298.A ND2 ASP 293.A OD2 no hydrogen 3.063 N/A TRP 299.A N LYS 296.A O no hydrogen 3.058 N/A TRP 299.A NE1 ASP 293.A O no hydrogen 2.808 N/A LYS 300.A N GLU 327.A O no hydrogen 2.934 N/A CYS 305.A N ASP 303.A OD1 no hydrogen 2.970 N/A LEU 307.A N ASP 303.A O no hydrogen 3.162 N/A ALA 308.A N GLU 304.A O no hydrogen 2.931 N/A THR 309.A N GLU 306.A O no hydrogen 3.048 N/A THR 309.A OG1 GLU 306.A O no hydrogen 2.697 N/A PHE 310.A N LEU 307.A O no hydrogen 3.140 N/A SER 314.A N PRO 311.A O no hydrogen 3.089 N/A MET 316.A N SER 314.A OG no hydrogen 2.974 N/A GLN 317.A N GLN 317.A OE1 no hydrogen 2.715 N/A GLN 317.A NE2 PRO 311.A O no hydrogen 2.902 N/A GLN 318.A NE2 ASP 315.A O no hydrogen 2.870 N/A ALA 319.A N ASP 315.A O no hydrogen 3.303 N/A ALA 320.A N MET 316.A O no hydrogen 3.016 N/A VAL 321.A N GLN 317.A O no hydrogen 2.991 N/A VAL 322.A N GLN 318.A O no hydrogen 2.819 N/A ALA 323.A N ALA 319.A O no hydrogen 3.067 N/A ILE 324.A N VAL 321.A O no hydrogen 3.345 N/A GLN 325.A N VAL 322.A O no hydrogen 3.284 N/A GLU 327.A N ILE 324.A O no hydrogen 2.929 N/A TYR 330.A N ASP 328.A OD1 no hydrogen 2.964 N/A TYR 330.A OH ASP 240.A OD1 no hydrogen 2.791 N/A ASN 331.A ND2 ASN 678.A OD1 no hydrogen 3.697 N/A TRP 332.A N TYR 677.A O no hydrogen 3.130 N/A GLY 333.A N ASN 331.A OD1 no hydrogen 2.862 N/A TYR 334.A OH ASP 376.A OD2 no hydrogen 2.618 N/A ASN 335.A ND2 ALA 290.A O no hydrogen 2.980 N/A VAL 337.A N HIS 288.A O no hydrogen 3.022 N/A LEU 338.A N HIS 288.A O no hydrogen 3.104 N/A TRP 339.A NE1 VAL 378.A O no hydrogen 2.859 N/A LYS 343.A N SER 286.A O no hydrogen 2.823 N/A LYS 343.A NZ PHE 289.A O no hydrogen 2.785 N/A LYS 343.A NZ VAL 292.A O no hydrogen 2.920 N/A LYS 343.A NZ ASP 294.A OD1 no hydrogen 2.798 N/A TYR 346.A N LYS 343.A O no hydrogen 3.265 N/A ALA 347.A N GLY 344.A O no hydrogen 2.981 N/A SER 348.A N GLU 358.A OE1 no hydrogen 2.859 N/A SER 348.A OG GLU 358.A OE1 no hydrogen 3.544 N/A SER 348.A OG GLU 358.A OE2 no hydrogen 2.526 N/A ASP 349.A N SER 354.A OG no hydrogen 3.131 N/A ASP 351.A N ASP 349.A OD1 no hydrogen 2.922 N/A SER 354.A OG ASP 349.A O no hydrogen 2.567 N/A ARG 355.A NH1 PRO 342.A O no hydrogen 2.920 N/A ARG 355.A NH2 ASP 294.A OD2 no hydrogen 3.521 N/A ARG 355.A NH2 PRO 350.A O no hydrogen 2.641 N/A ILE 356.A N PRO 353.A O no hydrogen 2.984 N/A ILE 357.A N PRO 353.A O no hydrogen 3.094 N/A GLU 358.A N SER 354.A O no hydrogen 2.865 N/A TYR 359.A N ARG 355.A O no hydrogen 3.302 N/A TYR 359.A OH SER 286.A OG no hydrogen 2.730 N/A ARG 360.A N ILE 356.A O no hydrogen 3.173 N/A ARG 360.A NE ASN 441.A O no hydrogen 2.821 N/A ARG 360.A NH1 LEU 210.A O no hydrogen 2.948 N/A ARG 360.A NH2 ILE 205.A O no hydrogen 3.250 N/A ARG 360.A NH2 ASN 441.A O no hydrogen 2.884 N/A GLN 361.A N ILE 357.A O no hydrogen 2.921 N/A MET 362.A N GLU 358.A O no hydrogen 3.000 N/A VAL 363.A N TYR 359.A O no hydrogen 3.105 N/A GLN 364.A N ARG 360.A O no hydrogen 2.915 N/A GLN 364.A NE2 ALA 213.A O no hydrogen 2.826 N/A ALA 365.A N GLN 361.A O no hydrogen 2.897 N/A LEU 366.A N MET 362.A O no hydrogen 2.979 N/A ASN 367.A N VAL 363.A O no hydrogen 2.917 N/A ASN 367.A ND2 LEU 371.A O no hydrogen 2.923 N/A ASN 367.A ND2 ASP 445.A OD2 no hydrogen 3.193 N/A ARG 368.A N GLN 364.A O no hydrogen 2.923 N/A ARG 368.A NE GLU 221.A OE1 no hydrogen 2.606 N/A ARG 368.A NH2 GLU 221.A OE1 no hydrogen 3.299 N/A ARG 368.A NH2 GLU 221.A OE2 no hydrogen 3.161 N/A ILE 369.A N ALA 365.A O no hydrogen 3.261 N/A ILE 369.A N LEU 366.A O no hydrogen 3.133 N/A GLY 370.A N ASN 367.A O no hydrogen 3.016 N/A LEU 371.A N LEU 366.A O no hydrogen 2.965 N/A ARG 372.A N THR 279.A O no hydrogen 2.743 N/A ARG 372.A NE PRO 223.A O no hydrogen 3.025 N/A ARG 372.A NH2 PRO 223.A O no hydrogen 2.920 N/A VAL 373.A N ASP 445.A OD2 no hydrogen 2.846 N/A VAL 374.A N VAL 281.A O no hydrogen 2.790 N/A MET 375.A N GLY 446.A O no hydrogen 2.995 N/A ASP 376.A N LEU 283.A O no hydrogen 3.128 N/A VAL 377.A N ARG 448.A O no hydrogen 2.852 N/A TYR 379.A OH ASP 434.A OD2 no hydrogen 2.566 N/A ASN 380.A ND2 ASP 450.A O no hydrogen 2.958 N/A ASN 380.A ND2 ASP 450.A OD2 no hydrogen 2.812 N/A HIS 381.A ND1 ASN 380.A OD1 no hydrogen 2.693 N/A LEU 382.A N ASN 418.A O no hydrogen 2.851 N/A ASP 383.A N PRO 336.A O no hydrogen 2.842 N/A SER 384.A OG ASP 383.A OD2 no hydrogen 2.695 N/A SER 384.A OG SER 391.A OG no hydrogen 2.757 N/A SER 385.A OG ASN 418.A OD1 no hydrogen 3.020 N/A GLY 386.A N ASP 395.A OD2 no hydrogen 2.759 N/A SER 391.A OG ASP 383.A OD2 no hydrogen 3.295 N/A SER 391.A OG SER 384.A OG no hydrogen 2.757 N/A SER 392.A N GLY 389.A O no hydrogen 3.327 N/A SER 392.A OG GLY 386.A O no hydrogen 2.696 N/A LYS 396.A NZ LEU 184.A O no hydrogen 2.981 N/A LYS 396.A NZ GLY 389.A O no hydrogen 2.779 N/A ILE 397.A N VAL 393.A O no hydrogen 3.257 N/A ILE 397.A N LEU 394.A O no hydrogen 3.327 N/A VAL 398.A N LEU 394.A O no hydrogen 3.192 N/A GLY 400.A N ASP 395.A OD1 no hydrogen 2.858 N/A TYR 401.A N VAL 398.A O no hydrogen 3.336 N/A TYR 401.A OH ASP 98.A OD1 no hydrogen 2.487 N/A ARG 404.A N ASN 419.A O no hydrogen 2.776 N/A ARG 404.A NE GLU 423.A OE2 no hydrogen 2.823 N/A ARG 404.A NH1 GLU 493.A OE2 no hydrogen 2.805 N/A ARG 404.A NH2 GLU 423.A OE1 no hydrogen 2.941 N/A ARG 404.A NH2 HIS 454.A O no hydrogen 3.022 N/A ARG 405.A NE GLY 409.A O no hydrogen 3.052 N/A ARG 405.A NH1 GLY 400.A O no hydrogen 3.121 N/A ASP 406.A N GLN 410.A O no hydrogen 2.759 N/A ASN 408.A N ASP 406.A OD1 no hydrogen 2.889 N/A GLY 409.A N ASP 406.A O no hydrogen 2.963 N/A GLN 410.A N ASP 406.A OD1 no hydrogen 2.922 N/A GLN 410.A NE2 MET 1.A O no hydrogen 2.898 N/A GLN 410.A NE2 PRO 2.A O no hydrogen 3.353 N/A GLN 410.A NE2 ASN 408.A O no hydrogen 3.181 N/A GLU 412.A N ARG 404.A O no hydrogen 2.906 N/A SER 414.A OG HIS 454.A NE2 no hydrogen 2.936 N/A SER 414.A OG GLU 493.A OE1 no hydrogen 2.652 N/A SER 414.A OG GLU 493.A OE2 no hydrogen 3.509 N/A ALA 415.A N.A ASN 419.A OD1 no hydrogen 2.918 N/A ALA 415.A N.B ASN 419.A OD1 no hydrogen 2.901 N/A ASN 418.A N ASN 413.A OD1 no hydrogen 2.940 N/A ASN 418.A ND2 LEU 382.A O no hydrogen 3.233 N/A ASN 418.A ND2 ASP 383.A O no hydrogen 3.189 N/A ASN 419.A N GLU 412.A O no hydrogen 2.945 N/A ASN 419.A ND2 SER 414.A OG no hydrogen 2.836 N/A ASN 419.A ND2 GLU 493.A OE2 no hydrogen 2.863 N/A THR 420.A N ASN 380.A O no hydrogen 2.920 N/A THR 420.A OG1 TYR 379.A O no hydrogen 2.575 N/A ALA 421.A N TYR 402.A O no hydrogen 2.934 N/A GLU 423.A N GLU 423.A OE1 no hydrogen 2.714 N/A HIS 424.A N ALA 421.A O no hydrogen 2.954 N/A HIS 424.A ND1 TYR 401.A O no hydrogen 2.849 N/A PHE 425.A N ASP 98.A OD2 no hydrogen 2.786 N/A MET 426.A N TYR 401.A OH no hydrogen 2.881 N/A VAL 427.A N HIS 424.A O no hydrogen 3.050 N/A ASP 428.A N HIS 424.A O no hydrogen 3.010 N/A ARG 429.A N PHE 425.A O no hydrogen 2.932 N/A ARG 429.A NE ASP 433.A OD2 no hydrogen 2.673 N/A ARG 429.A NH1 TYR 103.A O no hydrogen 2.964 N/A ARG 429.A NH1 GLY 105.A O no hydrogen 2.697 N/A ARG 429.A NH2 GLY 105.A O no hydrogen 2.788 N/A ARG 429.A NH2 ASP 433.A OD2 no hydrogen 3.296 N/A LEU 430.A N MET 426.A O no hydrogen 3.055 N/A ILE 431.A N VAL 427.A O no hydrogen 2.991 N/A VAL 432.A N ASP 428.A O no hydrogen 3.182 N/A ASP 433.A N ARG 429.A O no hydrogen 2.872 N/A ASP 434.A N LEU 430.A O no hydrogen 2.822 N/A LEU 435.A N ILE 431.A O no hydrogen 3.025 N/A LEU 436.A N.A VAL 432.A O no hydrogen 2.968 N/A LEU 436.A N.B VAL 432.A O no hydrogen 2.957 N/A ASN 437.A N ASP 433.A O no hydrogen 2.938 N/A ASN 437.A ND2 GLY 340.A O no hydrogen 3.144 N/A TRP 438.A N ASP 434.A O no hydrogen 3.013 N/A TRP 438.A NE1 TRP 339.A O no hydrogen 2.928 N/A ALA 439.A N LEU 435.A O no hydrogen 2.934 N/A VAL 440.A N LEU 436.A O.A no hydrogen 2.842 N/A VAL 440.A N LEU 436.A O.B no hydrogen 2.966 N/A ASN 441.A N ASN 437.A O no hydrogen 2.764 N/A ASN 441.A ND2 ASN 437.A OD1 no hydrogen 2.762 N/A TYR 442.A N TRP 438.A O no hydrogen 3.110 N/A LYS 443.A NZ GLY 476.A O no hydrogen 3.101 N/A VAL 444.A N TRP 438.A O no hydrogen 3.342 N/A ASP 445.A N VAL 373.A O no hydrogen 2.790 N/A PHE 447.A N TYR 483.A O no hydrogen 2.989 N/A ARG 448.A N MET 375.A O no hydrogen 2.841 N/A ARG 448.A NH1 ASP 376.A OD1 no hydrogen 2.843 N/A ARG 448.A NH1 ASP 450.A OD1 no hydrogen 2.769 N/A PHE 449.A N TYR 485.A O no hydrogen 2.776 N/A ASP 450.A N VAL 377.A O no hydrogen 2.927 N/A MET 452.A N ALA 487.A O no hydrogen 2.866 N/A HIS 454.A N LEU 451.A O no hydrogen 2.888 N/A HIS 454.A NE2 SER 414.A OG no hydrogen 2.936 N/A ILE 455.A N MET 452.A O no hydrogen 2.994 N/A MET 456.A N SER 422.A OG no hydrogen 2.980 N/A LYS 457.A N ILE 501.A O no hydrogen 2.836 N/A LYS 457.A NZ ASN 507.A O no hydrogen 2.806 N/A ARG 458.A NH2 GLU 423.A O no hydrogen 3.239 N/A THR 459.A OG1 ASP 428.A OD2 no hydrogen 2.628 N/A MET 460.A N MET 456.A O no hydrogen 3.130 N/A MET 461.A N LYS 457.A O no hydrogen 2.845 N/A ARG 462.A N ARG 458.A O no hydrogen 3.065 N/A ARG 462.A NE ASP 428.A OD1 no hydrogen 3.224 N/A ARG 462.A NH2 ASP 428.A OD1 no hydrogen 2.758 N/A ALA 463.A N THR 459.A O no hydrogen 2.924 N/A LYS 464.A N MET 460.A O no hydrogen 2.969 N/A LYS 464.A NZ THR 511.A O no hydrogen 2.729 N/A SER 465.A N MET 461.A O no hydrogen 3.064 N/A SER 465.A OG ARG 462.A O no hydrogen 2.792 N/A ALA 466.A N ARG 462.A O no hydrogen 2.875 N/A LEU 467.A N ALA 463.A O no hydrogen 2.904 N/A GLN 468.A N LYS 464.A O no hydrogen 2.941 N/A SER 469.A N.A SER 465.A O no hydrogen 3.251 N/A SER 469.A N.B SER 465.A O no hydrogen 3.267 N/A SER 469.A OG.A SER 465.A O no hydrogen 3.409 N/A SER 469.A OG.A ALA 466.A O no hydrogen 3.265 N/A SER 469.A OG.B SER 465.A O no hydrogen 2.980 N/A LEU 470.A N LEU 467.A O no hydrogen 3.205 N/A THR 471.A N HIS 475.A ND1 no hydrogen 3.110 N/A ALA 474.A N THR 471.A OG1 no hydrogen 3.219 N/A HIS 475.A N THR 471.A O no hydrogen 2.771 N/A GLY 476.A N THR 472.A O no hydrogen 2.968 N/A GLY 479.A N LEU 470.A O no hydrogen 2.746 N/A SER 480.A N ASP 478.A OD1 no hydrogen 3.097 N/A SER 480.A OG ASP 478.A OD1 no hydrogen 2.593 N/A SER 480.A OG ASP 478.A OD2 no hydrogen 3.386 N/A LYS 481.A N ASP 478.A O no hydrogen 3.322 N/A LYS 481.A NZ LEU 225.A O no hydrogen 2.842 N/A ILE 482.A N GLY 479.A O no hydrogen 3.005 N/A TYR 483.A N ASP 445.A O no hydrogen 3.302 N/A TYR 483.A OH ILE 609.A O no hydrogen 2.599 N/A TYR 485.A N PHE 447.A O no hydrogen 3.030 N/A TYR 485.A OH HIS 282.A ND1 no hydrogen 2.831 N/A GLY 486.A N GLY 514.A O no hydrogen 2.865 N/A ALA 487.A N PHE 449.A O no hydrogen 3.048 N/A GLU 493.A N GLU 493.A OE1 no hydrogen 2.791 N/A ALA 495.A N ALA 492.A O no hydrogen 3.275 N/A GLN 498.A N ALA 495.A O no hydrogen 3.205 N/A GLN 498.A NE2 ALA 492.A O no hydrogen 3.472 N/A GLN 498.A NE2 ALA 495.A O no hydrogen 2.693 N/A ARG 499.A NH1 ARG 405.A O no hydrogen 3.232 N/A ARG 499.A NH2 ARG 405.A O no hydrogen 2.885 N/A GLY 500.A N ASN 497.A O no hydrogen 3.014 N/A ASN 502.A ND2 GLY 453.A O no hydrogen 2.806 N/A ASN 502.A ND2 ASP 490.A OD1 no hydrogen 2.979 N/A GLY 503.A N ILE 455.A O no hydrogen 2.812 N/A SER 504.A N ASN 502.A O no hydrogen 2.840 N/A GLN 505.A N GLY 488.A O no hydrogen 2.959 N/A GLN 505.A NE2 PHE 516.A O no hydrogen 2.988 N/A GLN 505.A NE2 ASP 518.A OD1 no hydrogen 3.030 N/A GLN 505.A NE2 TYR 604.A OH no hydrogen 3.108 N/A ASN 507.A N SER 504.A OG no hydrogen 3.098 N/A ASN 507.A ND2 ASN 497.A OD1 no hydrogen 2.795 N/A ASN 507.A ND2 ASN 502.A O no hydrogen 2.967 N/A MET 508.A N SER 504.A O no hydrogen 2.880 N/A MET 508.A N GLN 505.A O no hydrogen 3.305 N/A SER 509.A N LEU 506.A O no hydrogen 3.357 N/A SER 509.A OG TYR 604.A O no hydrogen 2.647 N/A GLY 510.A N GLU 610.A OE1 no hydrogen 3.036 N/A THR 511.A N MET 508.A O no hydrogen 3.242 N/A THR 511.A OG1 MET 508.A O no hydrogen 2.612 N/A GLY 512.A N GLU 610.A OE2 no hydrogen 2.820 N/A ILE 513.A N THR 511.A OG1 no hydrogen 3.159 N/A GLY 514.A N LEU 484.A O no hydrogen 3.072 N/A SER 515.A N GLU 610.A O no hydrogen 2.936 N/A SER 515.A OG TYR 604.A OH no hydrogen 2.660 N/A PHE 516.A N GLY 486.A O no hydrogen 3.237 N/A ASN 517.A N ILE 612.A O no hydrogen 2.833 N/A ASN 517.A ND2 ASN 613.A OD1 no hydrogen 2.931 N/A ARG 519.A N ASN 517.A OD1 no hydrogen 2.996 N/A ARG 519.A NE PRO 601.A O no hydrogen 3.120 N/A ARG 519.A NE VAL 602.A O no hydrogen 3.046 N/A ARG 519.A NH1 ASP 518.A OD1 no hydrogen 2.969 N/A ARG 519.A NH2 PRO 601.A O no hydrogen 2.740 N/A ILE 520.A N ASN 517.A OD1 no hydrogen 3.273 N/A ARG 521.A NE ASP 522.A OD1 no hydrogen 2.886 N/A ARG 521.A NH1 TYR 614.A OH no hydrogen 2.757 N/A ARG 521.A NH2 ASP 522.A OD1 no hydrogen 3.049 N/A ARG 521.A NH2 ASP 522.A OD2 no hydrogen 3.090 N/A ASP 522.A N ASP 518.A O no hydrogen 3.029 N/A ALA 523.A N ARG 519.A O no hydrogen 3.019 N/A ILE 524.A N ILE 520.A O no hydrogen 3.053 N/A ASN 525.A N ARG 521.A O no hydrogen 3.013 N/A ASN 525.A ND2 VAL 615.A O no hydrogen 2.948 N/A GLY 526.A N ASP 522.A O no hydrogen 2.749 N/A GLY 527.A N TYR 564.A OH no hydrogen 3.101 N/A PHE 530.A N ASN 528.A OD1.A no hydrogen 2.949 N/A GLY 531.A N ASN 528.A O.A no hydrogen 3.147 N/A GLY 531.A N ASN 528.A O.B no hydrogen 2.817 N/A LEU 534.A N ASN 532.A OD1 no hydrogen 2.975 N/A GLN 535.A N ASN 532.A O no hydrogen 3.166 N/A GLN 536.A NE2 THR 540.A O no hydrogen 2.816 N/A GLN 536.A NE2 GLU 545.A O no hydrogen 2.921 N/A GLY 537.A N THR 540.A OG1 no hydrogen 2.776 N/A PHE 538.A N ALA 523.A O no hydrogen 2.977 N/A ASN 539.A N ILE 524.A O no hydrogen 2.909 N/A ASN 539.A ND2 ILE 643.A O no hydrogen 2.981 N/A THR 540.A N GLY 537.A O no hydrogen 3.146 N/A THR 540.A OG1 ASN 525.A O no hydrogen 2.661 N/A LEU 542.A N GLY 537.A O no hydrogen 3.071 N/A LEU 544.A N LEU 542.A O no hydrogen 2.738 N/A GLU 545.A N GLY 541.A O no hydrogen 2.817 N/A ASN 547.A N GLN 536.A OE1 no hydrogen 2.956 N/A ASN 547.A ND2 LEU 534.A O no hydrogen 2.944 N/A ASN 547.A ND2 LYS 630.A O no hydrogen 2.868 N/A PHE 549.A N ASN 547.A OD1 no hydrogen 3.098 N/A TYR 550.A N ASN 547.A OD1 no hydrogen 3.291 N/A GLN 551.A NE2 GLN 536.A OE1 no hydrogen 2.811 N/A THR 557.A N ASN 553.A O no hydrogen 3.104 N/A THR 557.A OG1 ASN 553.A O no hydrogen 3.337 N/A ARG 558.A N GLU 554.A O no hydrogen 2.781 N/A ARG 559.A N ALA 555.A O no hydrogen 3.218 N/A SER 560.A N ASP 556.A O no hydrogen 2.735 N/A SER 560.A OG ASP 556.A O no hydrogen 2.615 N/A SER 560.A OG ASP 556.A OD1 no hydrogen 3.045 N/A LEU 561.A N THR 557.A O no hydrogen 2.726 N/A ALA 562.A N ARG 558.A O no hydrogen 3.024 N/A THR 563.A N ARG 559.A O no hydrogen 2.885 N/A THR 563.A OG1 ARG 559.A O no hydrogen 2.943 N/A TYR 564.A N SER 560.A O no hydrogen 3.049 N/A ALA 565.A N LEU 561.A O no hydrogen 2.863 N/A ASP 566.A N ALA 562.A O no hydrogen 2.999 N/A GLN 567.A N THR 563.A O no hydrogen 3.214 N/A GLN 567.A NE2 HIS 595.A O no hydrogen 3.366 N/A ILE 568.A N TYR 564.A O no hydrogen 2.945 N/A GLN 569.A N ALA 565.A O no hydrogen 2.987 N/A GLN 569.A NE2 ALA 565.A O no hydrogen 3.125 N/A ILE 570.A N ASP 566.A O no hydrogen 3.115 N/A GLY 571.A N GLN 567.A O no hydrogen 3.215 N/A LEU 572.A N ILE 568.A O no hydrogen 2.735 N/A ALA 573.A N GLN 569.A O no hydrogen 2.996 N/A ALA 573.A N ILE 570.A O no hydrogen 3.249 N/A GLY 574.A N GLY 571.A O no hydrogen 2.972 N/A ASN 575.A N ILE 570.A O no hydrogen 2.853 N/A ASN 575.A ND2 VAL 602.A O no hydrogen 3.064 N/A ARG 577.A N THR 605.A O no hydrogen 2.881 N/A TYR 579.A OH VAL 760.A O no hydrogen 2.661 N/A LEU 581.A N LYS 589.A O no hydrogen 2.922 N/A SER 583.A N GLU 587.A O no hydrogen 2.839 N/A SER 583.A OG THR 585.A OG1 no hydrogen 3.022 N/A SER 583.A OG GLU 587.A O no hydrogen 2.646 N/A HIS 584.A N ASP 566.A OD2 no hydrogen 2.857 N/A HIS 584.A ND1 ASP 566.A OD2 no hydrogen 2.813 N/A THR 585.A OG1 SER 583.A OG no hydrogen 3.022 N/A GLY 586.A N SER 583.A O no hydrogen 2.812 N/A GLU 587.A N THR 585.A OG1 no hydrogen 3.269 N/A LYS 589.A N LEU 581.A O no hydrogen 2.849 N/A LYS 590.A N GLU 593.A OE1 no hydrogen 3.211 N/A GLY 591.A N TYR 579.A O no hydrogen 2.807 N/A SER 592.A N ARG 577.A O no hydrogen 3.128 N/A SER 592.A OG ARG 577.A O no hydrogen 3.069 N/A GLU 593.A N LYS 590.A O no hydrogen 2.850 N/A ILE 594.A N LYS 590.A O no hydrogen 3.331 N/A THR 596.A N LEU 600.A O no hydrogen 2.806 N/A THR 596.A OG1 LEU 600.A O no hydrogen 3.389 N/A GLY 599.A N THR 596.A O no hydrogen 3.107 N/A LEU 600.A N THR 596.A OG1 no hydrogen 3.068 N/A VAL 602.A N ILE 594.A O no hydrogen 2.795 N/A GLY 603.A N GLY 591.A O no hydrogen 2.962 N/A TYR 604.A N ASN 575.A O no hydrogen 3.041 N/A TYR 604.A OH SER 515.A OG no hydrogen 2.660 N/A TYR 604.A OH PHE 516.A O no hydrogen 3.404 N/A THR 605.A N ASN 575.A O no hydrogen 3.127 N/A THR 605.A OG1 GLY 574.A O no hydrogen 3.156 N/A THR 605.A OG1 ASN 575.A O no hydrogen 3.025 N/A THR 605.A OG1 SER 607.A O no hydrogen 3.209 N/A ALA 606.A N GLU 610.A OE1 no hydrogen 2.845 N/A ILE 609.A N SER 607.A OG no hydrogen 3.140 N/A GLU 610.A N SER 607.A O no hydrogen 3.072 N/A THR 611.A N PRO 608.A O no hydrogen 3.111 N/A THR 611.A OG1 GLY 574.A O no hydrogen 2.680 N/A ILE 612.A N SER 515.A O no hydrogen 2.941 N/A ASN 613.A N ILE 657.A O no hydrogen 2.906 N/A ASN 613.A ND2 GLY 571.A O no hydrogen 3.066 N/A ASN 613.A ND2 SER 654.A OG no hydrogen 3.080 N/A SER 616.A OG ASP 664.A OD1 no hydrogen 2.718 N/A SER 616.A OG ASP 664.A OD2 no hydrogen 2.997 N/A HIS 618.A N GLU 235.A OE1 no hydrogen 2.782 N/A HIS 618.A ND1 GLU 235.A OE2 no hydrogen 2.622 N/A GLU 621.A N GLU 621.A OE1 no hydrogen 2.637 N/A THR 622.A OG1 ARG 668.A O no hydrogen 2.752 N/A ASP 625.A N THR 622.A OG1 no hydrogen 3.094 N/A VAL 626.A N THR 622.A O no hydrogen 2.844 N/A ILE 627.A N LEU 623.A O no hydrogen 3.145 N/A SER 628.A N PHE 624.A O no hydrogen 2.964 N/A SER 628.A OG PHE 624.A O no hydrogen 3.135 N/A VAL 629.A N ASP 625.A O no hydrogen 2.948 N/A LYS 630.A N VAL 626.A O no hydrogen 3.074 N/A LYS 630.A NZ GLY 526.A O no hydrogen 3.312 N/A LYS 630.A NZ PRO 533.A O no hydrogen 2.856 N/A LYS 630.A NZ GLN 535.A O no hydrogen 2.691 N/A THR 631.A N ILE 627.A O no hydrogen 3.107 N/A THR 631.A OG1 ILE 627.A O no hydrogen 2.700 N/A LEU 635.A N PRO 632.A O no hydrogen 3.238 N/A SER 636.A N GLU 639.A OE1 no hydrogen 2.971 N/A SER 636.A OG GLU 639.A OE1 no hydrogen 3.268 N/A GLU 639.A N SER 636.A OG no hydrogen 3.030 N/A ARG 640.A N SER 636.A O no hydrogen 3.063 N/A ARG 640.A NE THR 631.A OG1 no hydrogen 2.882 N/A ARG 640.A NH2 PRO 632.A O no hydrogen 2.912 N/A ARG 640.A NH2 MET 633.A O no hydrogen 3.021 N/A CYS 641.A N VAL 637.A O no hydrogen 2.826 N/A CYS 641.A SG VAL 637.A O no hydrogen 3.211 N/A ARG 642.A N ASP 638.A O no hydrogen 3.309 N/A ARG 642.A NE ARG 852.A O no hydrogen 2.889 N/A ARG 642.A NH1 ASP 832.A OD1 no hydrogen 2.887 N/A ARG 642.A NH1 ASP 832.A OD2 no hydrogen 3.484 N/A ARG 642.A NH2 ASP 832.A OD2 no hydrogen 2.996 N/A ARG 642.A NH2 THR 853.A OG1 no hydrogen 2.890 N/A ILE 643.A N GLU 639.A O no hydrogen 3.125 N/A ASN 644.A N ARG 640.A O no hydrogen 2.919 N/A ASN 644.A ND2 ARG 640.A O no hydrogen 2.826 N/A HIS 645.A N CYS 641.A O no hydrogen 3.104 N/A LEU 646.A N ARG 642.A O no hydrogen 2.976 N/A ALA 647.A N ILE 643.A O no hydrogen 3.150 N/A SER 648.A N.A ASN 644.A O no hydrogen 3.165 N/A SER 648.A N.B ASN 644.A O no hydrogen 3.146 N/A SER 648.A OG.A ASN 644.A O no hydrogen 3.286 N/A SER 648.A OG.A HIS 645.A O no hydrogen 3.288 N/A SER 649.A N HIS 645.A O no hydrogen 2.913 N/A SER 649.A OG HIS 645.A O no hydrogen 2.721 N/A MET 650.A N LEU 646.A O no hydrogen 2.921 N/A MET 651.A N ALA 647.A O no hydrogen 3.322 N/A ALA 652.A N SER 648.A O.A no hydrogen 2.945 N/A ALA 652.A N SER 648.A O.B no hydrogen 2.914 N/A LEU 653.A N SER 649.A O no hydrogen 2.932 N/A SER 654.A N MET 651.A O no hydrogen 3.145 N/A SER 654.A OG MET 651.A O no hydrogen 2.801 N/A SER 654.A OG GLN 655.A O no hydrogen 3.525 N/A GLN 655.A N LEU 572.A O no hydrogen 2.818 N/A GLN 655.A NE2 LEU 747.A O no hydrogen 2.881 N/A ILE 657.A N THR 611.A O no hydrogen 2.927 N/A PHE 659.A N ASN 613.A O no hydrogen 2.911 N/A PHE 660.A N ILE 233.A O no hydrogen 2.793 N/A HIS 661.A N ASP 664.A OD2 no hydrogen 2.853 N/A ALA 662.A N GLU 235.A O no hydrogen 2.870 N/A GLY 663.A N GLU 665.A OE1 no hydrogen 2.923 N/A ASP 664.A N HIS 661.A O no hydrogen 2.886 N/A GLU 665.A N GLU 665.A OE1 no hydrogen 2.681 N/A ILE 666.A N GLY 663.A O no hydrogen 3.019 N/A ARG 668.A N GLY 663.A O no hydrogen 2.937 N/A ARG 668.A NH1 ALA 662.A O no hydrogen 2.897 N/A ARG 668.A NH2 ASP 240.A OD2 no hydrogen 2.885 N/A ARG 668.A NH2 ASN 684.A O no hydrogen 2.881 N/A SER 669.A N ASN 693.A O no hydrogen 2.848 N/A SER 669.A OG ASP 625.A OD1 no hydrogen 2.601 N/A SER 669.A OG ASP 625.A OD2 no hydrogen 3.340 N/A LYS 670.A N ASP 625.A OD2 no hydrogen 2.913 N/A LYS 670.A NZ SER 676.A OG no hydrogen 3.022 N/A SER 671.A N SER 669.A OG no hydrogen 2.965 N/A SER 671.A OG ASN 694.A O no hydrogen 3.530 N/A ILE 672.A N ASP 625.A OD2 no hydrogen 2.823 N/A ASP 673.A N LYS 670.A O no hydrogen 3.220 N/A ARG 674.A N ASN 705.A OD1 no hydrogen 2.953 N/A ARG 674.A NE.A LYS 704.A O no hydrogen 2.723 N/A ARG 674.A NH2.B ASN 620.A OD1 no hydrogen 2.992 N/A ASP 675.A N ASP 673.A OD1 no hydrogen 3.063 N/A SER 676.A OG ASN 684.A OD1 no hydrogen 2.692 N/A TYR 677.A OH GLU 703.A OE2 no hydrogen 2.902 N/A ASN 678.A ND2 GLU 326.A OE2 no hydrogen 2.977 N/A SER 679.A N SER 676.A O no hydrogen 3.098 N/A SER 679.A OG ASP 673.A OD2 no hydrogen 2.610 N/A TRP 682.A NE1 VAL 697.A O no hydrogen 2.793 N/A ASN 684.A N GLY 680.A O no hydrogen 3.317 N/A ASN 684.A ND2 SER 676.A O no hydrogen 2.968 N/A ASN 684.A ND2 GLY 680.A O no hydrogen 2.926 N/A THR 689.A N ASP 687.A OD1 no hydrogen 2.994 N/A THR 689.A OG1 ASP 687.A OD1 no hydrogen 2.576 N/A THR 689.A OG1 ASP 687.A OD2 no hydrogen 3.251 N/A TYR 690.A N ASP 687.A O no hydrogen 3.099 N/A TYR 690.A OH HIS 269.A ND1 no hydrogen 2.754 N/A GLU 691.A N THR 689.A OG1 no hydrogen 3.361 N/A THR 692.A N ASP 687.A OD2 no hydrogen 3.038 N/A THR 692.A OG1 ASP 687.A OD2 no hydrogen 2.843 N/A ASN 693.A ND2 LEU 667.A O no hydrogen 2.767 N/A ASN 694.A ND2 SER 669.A O no hydrogen 3.683 N/A ASN 694.A ND2 TRP 682.A O no hydrogen 2.994 N/A ASN 694.A ND2 PHE 683.A O no hydrogen 3.176 N/A TRP 695.A N ASN 693.A OD1 no hydrogen 3.085 N/A VAL 697.A N SER 671.A OG no hydrogen 2.875 N/A GLY 698.A N PRO 312.A O no hydrogen 2.937 N/A LEU 699.A N SER 314.A O no hydrogen 2.813 N/A SER 702.A N GLN 318.A OE1 no hydrogen 2.964 N/A ASN 705.A N PRO 701.A O no hydrogen 3.175 N/A ASN 705.A N SER 702.A O no hydrogen 3.223 N/A ASN 705.A ND2 ASP 673.A OD1 no hydrogen 2.907 N/A ASN 705.A ND2 PRO 701.A O no hydrogen 2.956 N/A GLU 706.A N SER 702.A O no hydrogen 2.997 N/A ASN 708.A N ASN 705.A O no hydrogen 2.868 N/A TRP 709.A N GLU 706.A O no hydrogen 3.066 N/A TRP 709.A NE1 PRO 700.A O no hydrogen 2.872 N/A LEU 711.A N ASN 708.A O no hydrogen 3.144 N/A MET 712.A N ASN 708.A O no hydrogen 3.165 N/A LYS 713.A N TRP 709.A O no hydrogen 2.884 N/A LYS 713.A NZ GLU 717.A OE2 no hydrogen 2.404 N/A ARG 715.A NH1 LEU 711.A O no hydrogen 2.710 N/A LEU 716.A N MET 712.A O no hydrogen 2.835 N/A GLU 717.A N LYS 713.A O no hydrogen 2.998 N/A ASN 718.A N ARG 715.A O no hydrogen 3.218 N/A SER 720.A N ASN 718.A OD1 no hydrogen 2.915 N/A SER 720.A OG ASN 718.A OD1 no hydrogen 2.663 N/A PHE 721.A N ASN 718.A O no hydrogen 3.053 N/A LYS 722.A N PRO 719.A O no hydrogen 3.289 N/A ALA 724.A N HIS 727.A ND1 no hydrogen 3.073 N/A LYS 725.A NZ GLU 691.A OE2 no hydrogen 3.062 N/A HIS 727.A NE2 ASP 638.A OD2 no hydrogen 2.880 N/A ILE 728.A N ALA 724.A O no hydrogen 3.152 N/A LEU 729.A N LYS 725.A O no hydrogen 2.873 N/A ALA 730.A N GLY 726.A O no hydrogen 2.987 N/A ALA 731.A N HIS 727.A O no hydrogen 2.948 N/A LEU 732.A N ILE 728.A O no hydrogen 3.096 N/A ASP 733.A N LEU 729.A O no hydrogen 2.989 N/A SER 734.A N ALA 730.A O no hydrogen 2.994 N/A SER 734.A OG ALA 730.A O no hydrogen 3.127 N/A SER 734.A OG ALA 731.A O no hydrogen 3.156 N/A PHE 735.A N ALA 731.A O no hydrogen 2.931 N/A VAL 736.A N LEU 732.A O no hydrogen 3.035 N/A ASP 737.A N ASP 733.A O no hydrogen 3.100 N/A ILE 738.A N SER 734.A O no hydrogen 3.028 N/A LEU 739.A N PHE 735.A O no hydrogen 3.085 N/A LYS 740.A N VAL 736.A O no hydrogen 2.948 N/A LYS 740.A NZ ASP 737.A OD1 no hydrogen 3.407 N/A ILE 741.A N ASP 737.A O no hydrogen 2.997 N/A ARG 742.A N ILE 738.A O no hydrogen 3.021 N/A ARG 742.A NH1 ALA 652.A O no hydrogen 2.836 N/A ARG 742.A NH1 SER 654.A O no hydrogen 2.711 N/A ARG 742.A NH2 SER 654.A O no hydrogen 3.080 N/A TYR 743.A N LEU 739.A O no hydrogen 3.110 N/A TYR 743.A OH ASP 230.A O no hydrogen 2.603 N/A TYR 743.A OH THR 232.A OG1 no hydrogen 2.829 N/A SER 744.A N ILE 741.A O no hydrogen 3.029 N/A SER 744.A OG ILE 741.A O no hydrogen 2.707 N/A SER 744.A OG HIS 824.A NE2 no hydrogen 2.791 N/A SER 745.A OG ASP 792.A OD2 no hydrogen 2.638 N/A LEU 747.A N SER 745.A OG no hydrogen 3.065 N/A PHE 748.A N SER 745.A O no hydrogen 3.362 N/A ARG 749.A N PRO 746.A O no hydrogen 3.055 N/A ARG 749.A NE ARG 742.A O no hydrogen 3.074 N/A ARG 749.A NH1 ASP 230.A OD1 no hydrogen 2.949 N/A ARG 749.A NH2 ARG 742.A O no hydrogen 3.265 N/A LEU 750.A N GLN 655.A OE1 no hydrogen 2.980 N/A ASP 755.A N THR 752.A OG1 no hydrogen 3.110 N/A ILE 756.A N THR 752.A O no hydrogen 3.186 N/A LYS 757.A N ALA 753.A O no hydrogen 2.902 N/A GLN 758.A N ASN 754.A O no hydrogen 2.984 N/A ARG 759.A N ASP 755.A O no hydrogen 2.924 N/A ARG 759.A NH1 GLU 779.A O no hydrogen 3.166 N/A ARG 759.A NH1 ASP 780.A OD1 no hydrogen 2.859 N/A ARG 759.A NH2 ALA 789.A O no hydrogen 2.757 N/A VAL 760.A N ILE 756.A O no hydrogen 2.954 N/A ARG 761.A N GLY 777.A O no hydrogen 2.993 N/A ARG 761.A NH1 LYS 757.A O no hydrogen 2.564 N/A ARG 761.A NH1 VAL 760.A O no hydrogen 2.927 N/A ARG 761.A NH2 LYS 757.A O no hydrogen 3.183 N/A HIS 763.A N VAL 775.A O no hydrogen 2.957 N/A ASN 764.A ND2 VAL 770.A O no hydrogen 2.845 N/A ASN 764.A ND2 VAL 773.A O no hydrogen 2.727 N/A LEU 769.A N GLY 766.A O no hydrogen 3.101 N/A VAL 770.A N ASN 764.A OD1 no hydrogen 2.894 N/A ILE 774.A N PHE 802.A O no hydrogen 2.983 N/A MET 776.A N THR 800.A O no hydrogen 2.879 N/A GLY 777.A N ARG 761.A O no hydrogen 2.822 N/A ILE 778.A N VAL 798.A O no hydrogen 2.802 N/A GLU 779.A N ARG 759.A O no hydrogen 2.958 N/A ASP 780.A N SER 796.A O no hydrogen 3.075 N/A GLU 787.A N GLU 787.A OE1 no hydrogen 2.836 N/A GLN 790.A NE2 ASP 792.A O no hydrogen 3.243 N/A LEU 791.A N ASP 780.A OD1 no hydrogen 2.978 N/A ASP 792.A N ASP 780.A OD2 no hydrogen 2.861 N/A ASN 794.A N ASP 792.A OD1 no hydrogen 2.716 N/A PHE 795.A N ASP 792.A OD1 no hydrogen 2.863 N/A SER 796.A N GLU 859.A O no hydrogen 2.880 N/A SER 796.A OG GLU 859.A O no hydrogen 3.462 N/A SER 796.A OG GLU 859.A OE1 no hydrogen 2.596 N/A VAL 798.A N ILE 778.A O no hydrogen 3.026 N/A VAL 799.A N PHE 857.A O no hydrogen 2.863 N/A THR 800.A N MET 776.A O no hydrogen 2.834 N/A VAL 801.A N SER 855.A O no hydrogen 2.838 N/A PHE 802.A N ILE 774.A O no hydrogen 2.852 N/A ASN 803.A N THR 853.A O no hydrogen 2.946 N/A ASN 803.A ND2 HIS 807.A O no hydrogen 3.068 N/A ASN 803.A ND2 VAL 849.A O no hydrogen 3.339 N/A ASN 803.A ND2 PRO 850.A O no hydrogen 2.913 N/A VAL 804.A N GLY 772.A O no hydrogen 2.891 N/A CYS 805.A N ASN 803.A OD1 no hydrogen 2.973 N/A CYS 805.A SG PRO 771.A O no hydrogen 3.187 N/A HIS 807.A ND1 GLU 808.A O no hydrogen 2.853 N/A VAL 809.A N VAL 849.A O no hydrogen 2.954 N/A SER 810.A OG THR 848.A OG1 no hydrogen 3.186 N/A MET 811.A N PHE 847.A O no hydrogen 2.860 N/A ILE 813.A N GLY 845.A O no hydrogen 2.926 N/A LEU 816.A N ILE 813.A O no hydrogen 2.845 N/A ALA 817.A N PRO 814.A O no hydrogen 3.061 N/A SER 818.A N ALA 842.A O no hydrogen 2.791 N/A MET 819.A N TYR 840.A OH no hydrogen 3.100 N/A GLY 820.A N GLU 859.A OE2 no hydrogen 3.008 N/A GLU 822.A N VAL 858.A O no hydrogen 2.858 N/A HIS 824.A N VAL 856.A O no hydrogen 2.890 N/A HIS 824.A NE2 SER 744.A OG no hydrogen 2.791 N/A VAL 826.A N HIS 824.A ND1 no hydrogen 3.206 N/A GLN 827.A NE2 VAL 854.A O no hydrogen 2.922 N/A VAL 828.A N HIS 824.A O no hydrogen 2.906 N/A ASN 829.A N PRO 825.A O no hydrogen 3.276 N/A SER 830.A N GLN 827.A O no hydrogen 3.149 N/A SER 831.A OG ASP 733.A OD2 no hydrogen 3.385 N/A ASP 832.A N SER 830.A OG no hydrogen 2.948 N/A LEU 834.A N ASP 832.A OD1 no hydrogen 3.225 N/A VAL 835.A N ASP 832.A OD2 no hydrogen 2.978 N/A ARG 836.A NH1 SER 830.A O no hydrogen 2.821 N/A LYS 837.A N LEU 834.A O no hydrogen 2.908 N/A SER 838.A N VAL 835.A O no hydrogen 3.063 N/A SER 838.A OG VAL 835.A O no hydrogen 2.714 N/A SER 838.A OG SER 855.A OG no hydrogen 2.676 N/A ALA 839.A N THR 848.A O no hydrogen 3.060 N/A TYR 840.A OH LEU 816.A O no hydrogen 2.588 N/A GLU 841.A N ARG 846.A O no hydrogen 2.852 N/A ALA 843.A N GLU 841.A OE2 no hydrogen 3.189 N/A GLY 845.A N ALA 842.A O no hydrogen 3.338 N/A ARG 846.A N GLU 841.A O no hydrogen 3.055 N/A PHE 847.A N MET 811.A O no hydrogen 2.876 N/A THR 848.A N ALA 839.A O no hydrogen 2.793 N/A THR 848.A OG1 SER 810.A OG no hydrogen 3.186 N/A VAL 849.A N VAL 809.A O no hydrogen 2.883 N/A ARG 852.A N CYS 805.A O no hydrogen 2.906 N/A ARG 852.A NH1 GLU 545.A OE1 no hydrogen 2.802 N/A ARG 852.A NH1 GLU 545.A OE2 no hydrogen 3.478 N/A ARG 852.A NH2 GLU 545.A OE2 no hydrogen 2.752 N/A ARG 852.A NH2 GLU 639.A OE2 no hydrogen 2.966 N/A THR 853.A N ASN 803.A O no hydrogen 3.009 N/A THR 853.A OG1 PRO 850.A O no hydrogen 3.484 N/A THR 853.A OG1 GLY 851.A O no hydrogen 2.856 N/A SER 855.A N VAL 801.A O no hydrogen 2.920 N/A SER 855.A OG SER 838.A OG no hydrogen 2.676 N/A VAL 856.A N GLN 827.A OE1 no hydrogen 2.784 N/A PHE 857.A N VAL 799.A O no hydrogen 2.729 N/A VAL 858.A N GLU 822.A O no hydrogen 2.849 N/A GLU 859.A N TYR 797.A O no hydrogen 2.910 N/A ARG 861.A N ASN 794.A O no hydrogen 2.893 N/A ARG 861.A NE ASP 792.A O no hydrogen 2.737 N/A ARG 861.A NE PHE 795.A O no hydrogen 3.320 N/A ARG 861.A NH1 ALA 781.A O no hydrogen 2.937 N/A ARG 861.A NH2 ASP 780.A OD2 no hydrogen 2.770 N/A ARG 861.A NH2 ALA 781.A O no hydrogen 2.662 N/A ARG 861.A NH2 ASP 792.A O no hydrogen 3.494 N/A