Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6yrx_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A NE2 ALA 4.A O no hydrogen 3.250 N/A LYS 7.A NZ GLU 251.A OE1 no hydrogen 2.770 N/A TYR 8.A N GLU 251.A O no hydrogen 3.033 N/A TYR 8.A OH GLN 215.A OE1 no hydrogen 2.714 N/A ASP 9.A N ARG 33.A O no hydrogen 2.908 N/A TYR 10.A N ARG 33.A O no hydrogen 3.244 N/A ILE 11.A N GLU 257.A O no hydrogen 3.116 N/A LEU 12.A N LEU 35.A O no hydrogen 2.753 N/A VAL 13.A N ILE 259.A O no hydrogen 2.948 N/A GLY 14.A N LEU 37.A O no hydrogen 2.769 N/A GLY 15.A N GLU 38.A OE1 no hydrogen 2.787 N/A CYS 20.A N GLY 16.A O no hydrogen 2.946 N/A CYS 20.A SG GLY 15.A O no hydrogen 3.622 N/A CYS 20.A SG GLY 16.A O no hydrogen 3.262 N/A LEU 22.A N ALA 18.A O no hydrogen 2.971 N/A ALA 23.A N ALA 19.A O no hydrogen 2.779 N/A ASN 24.A N CYS 20.A O no hydrogen 3.288 N/A ASN 24.A ND2 TYR 204.A O no hydrogen 2.815 N/A ARG 25.A N VAL 21.A O no hydrogen 3.130 N/A ARG 25.A NE GLU 551.A OE1 no hydrogen 2.802 N/A ARG 25.A NH2 GLU 551.A OE1 no hydrogen 3.531 N/A ARG 25.A NH2 GLU 551.A OE2 no hydrogen 2.908 N/A LEU 26.A N LEU 22.A O no hydrogen 2.798 N/A SER 27.A N ALA 23.A O no hydrogen 3.343 N/A SER 27.A OG ALA 23.A O no hydrogen 2.639 N/A SER 27.A OG ASN 24.A O no hydrogen 3.524 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.853 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.485 N/A SER 31.A OG ASP 29.A OD2 no hydrogen 3.090 N/A ARG 33.A N ASP 9.A OD2 no hydrogen 2.893 N/A VAL 34.A N ASN 213.A O no hydrogen 2.882 N/A LEU 35.A N TYR 10.A O no hydrogen 2.965 N/A VAL 36.A N GLN 215.A O no hydrogen 2.912 N/A LEU 37.A N LEU 12.A O no hydrogen 3.043 N/A GLU 38.A N LEU 217.A O no hydrogen 2.925 N/A GLY 40.A N GLU 38.A OE2 no hydrogen 2.833 N/A ASN 43.A N ASP 42.A OD1 no hydrogen 2.774 N/A ASN 43.A ND2 LEU 87.A O no hydrogen 3.007 N/A ASN 43.A ND2 ASP 199.A OD2 no hydrogen 3.116 N/A ASP 47.A N SER 45.A OG no hydrogen 3.142 N/A VAL 48.A N SER 45.A O no hydrogen 3.352 N/A LYS 49.A N ARG 46.A O no hydrogen 3.183 N/A ILE 50.A N ARG 46.A O no hydrogen 3.242 N/A ALA 52.A N LEU 348.A O no hydrogen 3.034 N/A ALA 53.A N ILE 50.A O no hydrogen 3.027 N/A ILE 54.A N PRO 51.A O no hydrogen 3.036 N/A THR 55.A N ALA 52.A O no hydrogen 3.439 N/A THR 55.A OG1 ALA 52.A O no hydrogen 3.039 N/A ARG 56.A N ALA 53.A O no hydrogen 2.862 N/A ARG 56.A NH1 ASP 47.A OD1 no hydrogen 2.877 N/A ARG 56.A NH2 GLN 394.A OE1 no hydrogen 2.707 N/A LEU 57.A N ILE 54.A O no hydrogen 2.926 N/A ARG 59.A N TYR 80.A OH no hydrogen 2.962 N/A ARG 59.A NH1 ASN 65.A OD1 no hydrogen 2.844 N/A SER 60.A N LEU 57.A O no hydrogen 3.298 N/A SER 60.A OG LEU 57.A O no hydrogen 2.504 N/A LEU 62.A N SER 60.A OG no hydrogen 3.097 N/A ASP 63.A N SER 60.A O no hydrogen 3.149 N/A TRP 64.A N ARG 83.A O no hydrogen 2.921 N/A ASN 65.A N ASP 63.A OD2 no hydrogen 2.795 N/A ASN 65.A ND2 SER 60.A O no hydrogen 2.955 N/A ASN 65.A ND2 ASP 63.A O no hydrogen 3.020 N/A SER 68.A N ILE 79.A O no hydrogen 2.825 N/A SER 68.A OG GLU 69.A O no hydrogen 2.785 N/A GLU 69.A N LEU 432.A O no hydrogen 2.863 N/A GLN 71.A N ARG 77.A O no hydrogen 2.847 N/A GLN 71.A NE2 GLU 69.A O no hydrogen 3.152 N/A GLN 71.A NE2 LEU 70.A O no hydrogen 3.535 N/A GLN 71.A NE2 SER 433.A OG no hydrogen 3.172 N/A GLN 73.A N GLN 73.A OE1 no hydrogen 2.672 N/A GLN 73.A NE2 GLN 71.A OE1 no hydrogen 3.071 N/A GLN 73.A NE2 TYR 436.A O no hydrogen 2.762 N/A LEU 74.A N GLN 71.A O no hydrogen 3.039 N/A ARG 77.A N GLN 71.A O no hydrogen 3.431 N/A ARG 77.A NE LEU 74.A O no hydrogen 3.075 N/A ARG 77.A NE ARG 489.A O no hydrogen 3.408 N/A ARG 77.A NH2 ARG 489.A O no hydrogen 2.916 N/A ARG 77.A NH2 ILE 492.A O no hydrogen 3.096 N/A GLN 78.A NE2 SER 68.A O no hydrogen 2.900 N/A ILE 79.A N SER 68.A OG no hydrogen 2.777 N/A TYR 80.A OH ASP 63.A OD2 no hydrogen 2.717 N/A MET 81.A N LEU 66.A O no hydrogen 3.068 N/A ARG 83.A N ASP 63.A OD1 no hydrogen 2.959 N/A ARG 83.A NE ALA 82.A O no hydrogen 2.724 N/A ARG 83.A NH1 ALA 497.A O no hydrogen 3.255 N/A ARG 83.A NH2 ALA 497.A O no hydrogen 2.830 N/A GLY 84.A N SER 90.A OG no hydrogen 3.101 N/A ARG 85.A N LEU 62.A O no hydrogen 2.831 N/A LEU 87.A N PRO 41.A O no hydrogen 3.045 N/A GLY 88.A N GLY 15.A O no hydrogen 2.737 N/A GLY 89.A N LEU 86.A O no hydrogen 2.760 N/A SER 91.A N GLY 88.A O no hydrogen 3.101 N/A SER 91.A OG GLY 88.A O no hydrogen 2.599 N/A ALA 92.A N GLY 89.A O no hydrogen 3.097 N/A THR 93.A N SER 90.A O no hydrogen 3.233 N/A THR 96.A N ASN 94.A OD1 no hydrogen 2.861 N/A THR 96.A OG1 ALA 95.A O no hydrogen 2.605 N/A TYR 98.A N GLN 189.A O no hydrogen 2.853 N/A ARG 100.A N ASN 176.A OD1 no hydrogen 2.829 N/A ARG 100.A NE TYR 98.A OH no hydrogen 3.128 N/A ARG 100.A NH1 TYR 137.A O no hydrogen 2.687 N/A ARG 100.A NH2 TYR 98.A OH no hydrogen 2.922 N/A ARG 100.A NH2 TYR 137.A O no hydrogen 3.072 N/A ALA 102.A N ASP 105.A OD2 no hydrogen 2.954 N/A ASP 105.A N ALA 102.A O no hydrogen 2.988 N/A TYR 106.A N ALA 103.A O no hydrogen 3.030 N/A TYR 106.A OH ARG 100.A O no hydrogen 2.591 N/A ASP 107.A N ALA 103.A O no hydrogen 3.174 N/A ALA 108.A N GLY 104.A O no hydrogen 2.967 N/A TRP 109.A N TYR 106.A O no hydrogen 3.060 N/A TRP 109.A NE1 LYS 536.A O no hydrogen 2.850 N/A GLY 110.A N ASP 107.A O no hydrogen 3.155 N/A GLU 112.A N ASN 506.A OD1 no hydrogen 2.990 N/A TRP 114.A N VAL 111.A O no hydrogen 3.067 N/A TRP 114.A NE1 ASN 516.A O no hydrogen 3.023 N/A SER 115.A N ASP 118.A OD2 no hydrogen 2.951 N/A SER 115.A OG ASP 118.A OD2 no hydrogen 2.796 N/A SER 116.A N ASP 107.A OD1 no hydrogen 2.949 N/A SER 116.A OG ASP 107.A OD1 no hydrogen 2.966 N/A SER 116.A OG ASP 107.A OD2 no hydrogen 3.034 N/A VAL 119.A N SER 115.A O no hydrogen 3.131 N/A VAL 119.A N SER 116.A O no hydrogen 3.193 N/A LEU 120.A N SER 116.A O no hydrogen 3.158 N/A TRP 122.A N VAL 119.A O no hydrogen 3.045 N/A PHE 123.A N VAL 119.A O no hydrogen 3.329 N/A VAL 124.A N LEU 120.A O no hydrogen 3.205 N/A GLN 125.A N SER 121.A O no hydrogen 2.979 N/A GLU 127.A N VAL 124.A O no hydrogen 3.166 N/A THR 128.A N MET 144.A O no hydrogen 2.985 N/A THR 128.A OG1 GLY 142.A O no hydrogen 2.666 N/A ASN 129.A ND2 GLU 127.A OE2 no hydrogen 2.819 N/A ASN 129.A ND2 GLN 189.A OE1 no hydrogen 2.802 N/A ALA 130.A N VAL 146.A O no hydrogen 2.768 N/A ASP 131.A N ASN 129.A OD1 no hydrogen 2.949 N/A PHE 132.A N ASN 129.A OD1 no hydrogen 3.103 N/A GLY 135.A N HIS 138.A O no hydrogen 3.111 N/A HIS 138.A N GLY 135.A O no hydrogen 3.471 N/A HIS 138.A ND1 GLU 127.A OE1 no hydrogen 3.202 N/A HIS 138.A ND1 GLU 127.A OE2 no hydrogen 2.645 N/A HIS 138.A NE2 ASP 174.A OD2 no hydrogen 2.633 N/A GLY 139.A N GLU 127.A OE1 no hydrogen 2.843 N/A GLY 141.A N THR 128.A OG1 no hydrogen 3.043 N/A GLY 142.A N GLU 127.A O no hydrogen 3.233 N/A MET 144.A N ALA 126.A O no hydrogen 2.939 N/A ARG 145.A NH1 MET 144.A O no hydrogen 3.547 N/A VAL 146.A N THR 128.A O no hydrogen 2.939 N/A GLU 147.A N VAL 190.A O no hydrogen 2.921 N/A ASN 148.A N ASP 131.A OD2 no hydrogen 2.753 N/A ARG 150.A NE GLY 344.A O no hydrogen 2.686 N/A ARG 150.A NH2 GLY 343.A O no hydrogen 2.699 N/A TYR 151.A OH HIS 324.A ND1 no hydrogen 2.596 N/A ASN 153.A N HIS 157.A ND1 no hydrogen 2.909 N/A ASN 153.A ND2 TYR 151.A OH no hydrogen 3.147 N/A ASN 153.A ND2 ILE 319.A O no hydrogen 2.703 N/A GLN 155.A N GLN 155.A OE1 no hydrogen 2.961 N/A LEU 156.A N ASN 153.A OD1 no hydrogen 2.993 N/A HIS 157.A N ASN 153.A O no hydrogen 3.018 N/A THR 158.A OG1 LYS 154.A O no hydrogen 3.214 N/A ALA 159.A N GLN 155.A O no hydrogen 3.166 N/A PHE 160.A N LEU 156.A O no hydrogen 2.976 N/A PHE 161.A N HIS 157.A O no hydrogen 3.135 N/A LYS 162.A N THR 158.A O no hydrogen 2.941 N/A ALA 163.A N ALA 159.A O no hydrogen 2.907 N/A ALA 164.A N PHE 160.A O no hydrogen 2.875 N/A GLU 165.A N PHE 161.A O no hydrogen 3.037 N/A GLU 166.A N LYS 162.A O no hydrogen 2.900 N/A VAL 167.A N ALA 163.A O no hydrogen 3.058 N/A GLY 168.A N GLU 165.A O no hydrogen 3.009 N/A LEU 169.A N ALA 164.A O no hydrogen 3.035 N/A ASN 172.A N TYR 185.A O no hydrogen 2.835 N/A ASN 172.A ND2 HIS 182.A O no hydrogen 3.120 N/A ASN 172.A ND2 ALA 183.A O no hydrogen 3.120 N/A ASP 174.A N ASN 172.A OD1 no hydrogen 3.066 N/A ASN 176.A N ASP 174.A OD1 no hydrogen 3.032 N/A ASN 176.A ND2 TYR 98.A O no hydrogen 3.063 N/A ASP 177.A N ASP 174.A O no hydrogen 3.133 N/A TRP 178.A NE1 GLY 101.A O no hydrogen 2.839 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.842 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.585 N/A HIS 180.A NE2 ASN 172.A OD1 no hydrogen 2.784 N/A HIS 180.A NE2 ASP 174.A O no hydrogen 2.991 N/A ALA 183.A N ASP 181.A OD2 no hydrogen 3.319 N/A GLY 184.A N PHE 358.A O no hydrogen 2.848 N/A TYR 185.A N THR 170.A O no hydrogen 3.052 N/A TYR 185.A OH GLU 165.A OE1 no hydrogen 2.712 N/A GLY 186.A N GLY 356.A O no hydrogen 2.925 N/A PHE 188.A N ASP 354.A O no hydrogen 2.775 N/A GLN 189.A NE2 ASN 129.A OD1 no hydrogen 2.978 N/A GLN 189.A NE2 ASN 148.A OD1 no hydrogen 3.001 N/A VAL 190.A N GLU 147.A O no hydrogen 2.890 N/A MET 191.A N THR 96.A O no hydrogen 2.741 N/A GLN 192.A NE2 THR 96.A OG1 no hydrogen 3.251 N/A GLN 192.A NE2 THR 349.A O no hydrogen 3.101 N/A ASP 193.A N THR 196.A O.A no hydrogen 2.770 N/A ASP 193.A N THR 196.A O.B no hydrogen 2.787 N/A LYS 194.A N GLU 147.A OE1 no hydrogen 2.815 N/A GLY 195.A N GLU 147.A OE2 no hydrogen 2.976 N/A THR 196.A N.A ASP 193.A O no hydrogen 3.213 N/A THR 196.A N.B ASP 193.A O no hydrogen 3.237 N/A THR 196.A OG1.B ASP 193.A O no hydrogen 3.377 N/A ARG 197.A N LYS 49.A O no hydrogen 3.009 N/A ARG 197.A NE VAL 48.A O no hydrogen 2.728 N/A ARG 197.A NH1 SER 91.A O no hydrogen 3.077 N/A ARG 197.A NH1 ASN 94.A O no hydrogen 2.911 N/A ARG 197.A NH1 ASN 94.A OD1 no hydrogen 3.148 N/A ARG 197.A NH2 ASN 94.A O no hydrogen 2.880 N/A ALA 198.A N MET 191.A O no hydrogen 3.062 N/A MET 200.A N SER 91.A OG no hydrogen 3.135 N/A ARG 202.A N ASP 199.A OD1 no hydrogen 2.778 N/A ARG 202.A NH1 ASP 193.A OD2 no hydrogen 3.061 N/A ARG 202.A NH1 GLN 203.A OE1 no hydrogen 2.786 N/A ARG 202.A NH2 ASP 193.A OD2 no hydrogen 3.289 N/A GLN 203.A N ASP 199.A O no hydrogen 2.949 N/A GLN 203.A NE2 PRO 143.A O no hydrogen 2.898 N/A TYR 204.A N MET 200.A O no hydrogen 2.862 N/A TYR 204.A OH GLU 551.A OE2 no hydrogen 2.617 N/A LEU 205.A N MET 200.A O no hydrogen 3.363 N/A LEU 205.A N TYR 201.A O no hydrogen 3.105 N/A LYS 206.A N TYR 201.A O no hydrogen 2.805 N/A VAL 208.A N LEU 205.A O no hydrogen 3.014 N/A LEU 209.A N LYS 206.A O no hydrogen 3.413 N/A ARG 211.A N VAL 208.A O no hydrogen 3.087 N/A ARG 211.A NH1 ASN 24.A O no hydrogen 2.805 N/A ARG 211.A NH1 SER 27.A OG no hydrogen 2.765 N/A ASN 213.A N ASN 213.A OD1 no hydrogen 2.736 N/A ASN 213.A ND2 SER 27.A O no hydrogen 2.874 N/A ASN 213.A ND2 LYS 32.A O no hydrogen 2.705 N/A GLN 215.A N VAL 34.A O no hydrogen 2.998 N/A GLN 215.A NE2 PRO 2.A O no hydrogen 3.033 N/A LEU 217.A N VAL 36.A O no hydrogen 2.786 N/A GLY 219.A N GLY 40.A O no hydrogen 3.253 N/A ALA 220.A N GLU 38.A O no hydrogen 2.909 N/A ALA 221.A N SER 239.A O no hydrogen 2.975 N/A THR 223.A N GLU 237.A O no hydrogen 2.950 N/A THR 223.A OG1 GLU 237.A OE2 no hydrogen 2.859 N/A VAL 225.A N SER 274.A OG no hydrogen 2.945 N/A ASN 226.A N GLY 235.A O no hydrogen 2.646 N/A ASP 228.A N GLN 232.A O no hydrogen 3.056 N/A GLN 232.A N ASP 228.A O no hydrogen 3.021 N/A GLN 232.A NE2 ALA 233.A O no hydrogen 3.371 N/A ALA 233.A N GLU 524.A O no hydrogen 2.889 N/A LEU 234.A N ASN 226.A O no hydrogen 2.662 N/A VAL 236.A N ALA 250.A O no hydrogen 3.074 N/A GLU 237.A N LYS 224.A O no hydrogen 2.959 N/A PHE 238.A N LEU 248.A O no hydrogen 3.057 N/A SER 239.A N ALA 221.A O no hydrogen 3.030 N/A SER 239.A OG GLY 242.A O no hydrogen 2.643 N/A ASP 241.A N SER 239.A OG no hydrogen 3.070 N/A GLY 245.A N GLY 242.A O no hydrogen 3.183 N/A ARG 247.A NH1 GLU 237.A OE2 no hydrogen 3.004 N/A LEU 248.A N PHE 238.A O no hydrogen 2.824 N/A ALA 250.A N VAL 236.A O no hydrogen 2.928 N/A LEU 252.A N LEU 234.A O no hydrogen 2.832 N/A ALA 253.A N TYR 8.A O no hydrogen 2.843 N/A GLY 256.A N ALA 253.A O no hydrogen 3.105 N/A GLU 257.A N ASP 9.A O no hydrogen 3.018 N/A VAL 258.A N GLY 525.A O no hydrogen 2.947 N/A ILE 259.A N ILE 11.A O no hydrogen 2.862 N/A MET 260.A N ARG 527.A O no hydrogen 2.815 N/A CYS 261.A N VAL 13.A O no hydrogen 2.720 N/A CYS 261.A SG ILE 259.A O no hydrogen 4.022 N/A CYS 261.A SG VAL 529.A O no hydrogen 3.515 N/A ALA 262.A N THR 267.A OG1 no hydrogen 3.113 N/A GLY 263.A N ASP 530.A OD2 no hydrogen 2.826 N/A THR 267.A N GLY 263.A O no hydrogen 2.813 N/A THR 267.A OG1 GLY 263.A O no hydrogen 3.325 N/A THR 267.A OG1 ASP 530.A OD2 no hydrogen 2.635 N/A LEU 270.A N HIS 266.A O no hydrogen 2.915 N/A LEU 271.A N THR 267.A O no hydrogen 2.903 N/A LYS 272.A N PRO 268.A O no hydrogen 2.951 N/A LYS 272.A NZ GLU 281.A OE1 no hydrogen 2.935 N/A LYS 272.A NZ GLU 281.A OE2 no hydrogen 3.085 N/A LYS 272.A NZ VAL 419.A O no hydrogen 2.879 N/A HIS 273.A N PHE 269.A O no hydrogen 3.063 N/A SER 274.A N LEU 271.A O no hydrogen 2.943 N/A SER 274.A OG LEU 270.A O no hydrogen 2.745 N/A GLY 275.A N LYS 272.A O no hydrogen 2.915 N/A VAL 276.A N LEU 271.A O no hydrogen 2.975 N/A GLY 277.A N SER 291.A O no hydrogen 3.104 N/A SER 279.A N ASN 292.A OD1 no hydrogen 2.985 N/A LEU 282.A N PRO 278.A O no hydrogen 3.077 N/A LYS 283.A N SER 279.A O no hydrogen 2.850 N/A GLU 284.A N ALA 280.A O no hydrogen 3.313 N/A PHE 285.A N LEU 282.A O no hydrogen 3.032 N/A GLY 286.A N LYS 283.A O no hydrogen 2.998 N/A ILE 287.A N LEU 282.A O no hydrogen 3.043 N/A VAL 290.A N GLY 275.A O no hydrogen 2.697 N/A SER 291.A N GLY 275.A O no hydrogen 3.132 N/A SER 291.A OG HIS 521.A O no hydrogen 2.814 N/A LEU 293.A N GLY 277.A O no hydrogen 2.967 N/A GLY 297.A N THR 501.A O no hydrogen 2.795 N/A GLN 298.A N GLY 295.A O no hydrogen 3.053 N/A ASN 299.A ND2 GLY 500.A O no hydrogen 3.165 N/A ASN 299.A ND2 PRO 535.A O no hydrogen 3.062 N/A LEU 300.A N GLY 417.A O no hydrogen 3.090 N/A GLN 301.A N THR 499.A O no hydrogen 2.862 N/A GLN 301.A NE2 PRO 413.A O no hydrogen 3.679 N/A GLN 303.A NE2 CYS 411.A O no hydrogen 2.998 N/A GLN 303.A NE2 GLY 540.A O no hydrogen 3.038 N/A ALA 305.A N HIS 493.A O no hydrogen 2.829 N/A CYS 306.A N LEU 408.A O no hydrogen 3.034 N/A THR 308.A N MET 406.A O no hydrogen 2.888 N/A ALA 309.A N PHE 473.A O no hydrogen 3.043 N/A ALA 310.A N ILE 404.A O no hydrogen 3.050 N/A VAL 312.A N SER 402.A O no hydrogen 3.202 N/A LYS 313.A N TYR 467.A O no hydrogen 2.755 N/A LYS 313.A NZ SER 465.A O no hydrogen 3.068 N/A LYS 313.A NZ GLU 466.A O no hydrogen 2.721 N/A TYR 316.A N LYS 313.A O no hydrogen 2.734 N/A TYR 316.A OH GLU 466.A OE2 no hydrogen 2.510 N/A ASP 317.A N GLU 314.A O no hydrogen 3.047 N/A GLY 318.A N SER 402.A OG no hydrogen 3.088 N/A ALA 320.A N ASP 323.A OD2 no hydrogen 3.045 N/A ILE 321.A N PRO 375.A O no hydrogen 2.853 N/A HIS 324.A N ALA 320.A O no hydrogen 3.149 N/A HIS 324.A N ILE 321.A O no hydrogen 3.006 N/A HIS 324.A ND1 TYR 151.A OH no hydrogen 2.596 N/A ILE 325.A N ILE 321.A O no hydrogen 3.174 N/A TYR 326.A N SER 322.A O no hydrogen 3.012 N/A TYR 326.A OH PHE 390.A O no hydrogen 2.657 N/A ASN 327.A N GLN 331.A O no hydrogen 2.869 N/A ASN 327.A ND2 GLN 331.A OE1 no hydrogen 3.488 N/A LYS 329.A N ASN 327.A OD1 no hydrogen 2.937 N/A GLY 330.A N ASN 327.A O no hydrogen 3.046 N/A GLN 331.A N ASN 327.A OD1 no hydrogen 3.049 N/A ARG 333.A N ILE 325.A O no hydrogen 2.797 N/A ARG 333.A NE ASP 323.A O no hydrogen 2.724 N/A ARG 333.A NH2 ASP 323.A O no hydrogen 3.438 N/A ILE 337.A N ARG 333.A O no hydrogen 3.151 N/A ALA 338.A N LYS 334.A O no hydrogen 2.854 N/A SER 339.A N ARG 335.A O no hydrogen 2.899 N/A SER 339.A OG ARG 335.A O no hydrogen 3.056 N/A TYR 340.A N ALA 336.A O no hydrogen 3.076 N/A LEU 341.A N ILE 337.A O no hydrogen 3.011 N/A LEU 342.A N ALA 338.A O no hydrogen 2.821 N/A GLY 343.A N SER 339.A O no hydrogen 3.129 N/A GLY 344.A N TYR 340.A O no hydrogen 2.890 N/A ARG 345.A N SER 339.A O no hydrogen 3.132 N/A THR 349.A N GLY 346.A O no hydrogen 3.013 N/A THR 349.A OG1 GLY 346.A O no hydrogen 2.660 N/A SER 350.A N GLY 347.A O no hydrogen 3.186 N/A THR 351.A OG1 ALA 95.A O no hydrogen 2.757 N/A GLY 352.A N SER 350.A OG no hydrogen 2.905 N/A CYS 353.A SG THR 351.A O no hydrogen 3.878 N/A ARG 355.A NH1 TYR 151.A O no hydrogen 2.955 N/A ARG 355.A NH1 ASP 354.A OD1 no hydrogen 2.959 N/A ARG 355.A NH2 TYR 151.A O no hydrogen 2.833 N/A GLY 356.A N GLY 186.A O no hydrogen 3.015 N/A ALA 357.A N VAL 371.A O no hydrogen 3.043 N/A PHE 358.A N GLY 184.A O no hydrogen 2.886 N/A VAL 359.A N LEU 369.A O no hydrogen 2.907 N/A ARG 360.A NE GLN 364.A O no hydrogen 2.845 N/A ARG 360.A NE ALA 365.A O no hydrogen 3.464 N/A ARG 360.A NH1 ASP 181.A OD1 no hydrogen 3.559 N/A ARG 360.A NH1 ASP 181.A OD2 no hydrogen 2.822 N/A ARG 360.A NH2 ASP 181.A OD1 no hydrogen 2.812 N/A ARG 360.A NH2 ALA 365.A O no hydrogen 2.816 N/A THR 361.A N ASP 368.A OD1 no hydrogen 2.786 N/A THR 361.A OG1 ASP 368.A OD1 no hydrogen 3.245 N/A THR 361.A OG1 ASP 368.A OD2 no hydrogen 2.503 N/A ALA 362.A N GLN 364.A OE1 no hydrogen 2.864 N/A GLN 364.A N GLN 364.A OE1 no hydrogen 2.673 N/A GLN 364.A NE2 THR 361.A OG1 no hydrogen 3.202 N/A LEU 369.A N VAL 359.A O no hydrogen 3.020 N/A GLN 370.A N ILE 409.A O no hydrogen 2.862 N/A GLN 370.A NE2 GLN 541.A OE1 no hydrogen 3.016 N/A VAL 371.A N ALA 357.A O no hydrogen 2.826 N/A ARG 372.A N GLN 407.A O no hydrogen 2.818 N/A ARG 372.A NE GLN 407.A OE1 no hydrogen 2.911 N/A ARG 372.A NH2 GLN 407.A OE1 no hydrogen 2.823 N/A PHE 373.A N ARG 355.A O no hydrogen 2.853 N/A VAL 374.A N THR 405.A O no hydrogen 2.906 N/A ALA 378.A N THR 405.A OG1 no hydrogen 2.892 N/A LEU 379.A N THR 386.A OG1 no hydrogen 3.031 N/A ASP 380.A N THR 386.A OG1 no hydrogen 2.996 N/A SER 385.A N ASP 382.A OD1 no hydrogen 3.121 N/A THR 386.A N ASP 382.A O no hydrogen 3.083 N/A THR 386.A OG1 ASP 380.A OD1 no hydrogen 2.702 N/A TYR 387.A N GLY 383.A O no hydrogen 3.035 N/A TYR 387.A OH THR 351.A O no hydrogen 2.660 N/A VAL 388.A N VAL 384.A O no hydrogen 3.112 N/A ARG 389.A N SER 385.A O no hydrogen 2.958 N/A ARG 389.A NE ASP 380.A OD1 no hydrogen 2.945 N/A ARG 389.A NH2 ASP 380.A OD2 no hydrogen 2.870 N/A PHE 390.A N THR 386.A O no hydrogen 2.928 N/A ALA 391.A N TYR 387.A O no hydrogen 3.149 N/A LYS 392.A N VAL 388.A O no hydrogen 3.116 N/A PHE 393.A N PHE 390.A O no hydrogen 3.359 N/A GLN 394.A N ALA 391.A O no hydrogen 3.490 N/A SER 395.A N GLY 330.A O no hydrogen 2.662 N/A GLN 396.A N PHE 393.A O no hydrogen 3.266 N/A GLN 396.A NE2.B LYS 392.A O no hydrogen 2.782 N/A GLY 397.A N LYS 329.A O no hydrogen 3.071 N/A LYS 399.A NZ ASP 317.A OD1 no hydrogen 3.026 N/A LYS 399.A NZ ASP 317.A OD2 no hydrogen 3.569 N/A LYS 399.A NZ ASP 323.A OD1 no hydrogen 2.900 N/A TRP 400.A NE1 MET 377.A O no hydrogen 2.883 N/A SER 402.A OG ASP 317.A OD1 no hydrogen 3.538 N/A SER 402.A OG ASP 323.A OD1 no hydrogen 3.435 N/A SER 402.A OG ASP 323.A OD2 no hydrogen 2.553 N/A ILE 404.A N ALA 310.A O no hydrogen 2.982 N/A THR 405.A N VAL 374.A O no hydrogen 3.094 N/A THR 405.A OG1 GLY 376.A O no hydrogen 2.698 N/A MET 406.A N THR 308.A O no hydrogen 2.815 N/A GLN 407.A N ARG 372.A O no hydrogen 2.815 N/A GLN 407.A NE2 HIS 493.A NE2 no hydrogen 3.146 N/A LEU 408.A N CYS 306.A O no hydrogen 2.868 N/A ILE 409.A N GLN 370.A O no hydrogen 2.717 N/A ALA 410.A N PRO 304.A O no hydrogen 3.011 N/A CYS 411.A N ASP 368.A O no hydrogen 3.125 N/A CYS 411.A SG PRO 367.A O no hydrogen 3.538 N/A ARG 412.A NE ASP 105.A OD1 no hydrogen 2.803 N/A ARG 412.A NH1 HIS 182.A ND1 no hydrogen 3.496 N/A ARG 412.A NH1 PRO 367.A O no hydrogen 2.754 N/A ARG 412.A NH2 ASP 105.A OD1 no hydrogen 3.510 N/A ARG 412.A NH2 ASP 105.A OD2 no hydrogen 2.946 N/A ARG 412.A NH2 HIS 182.A ND1 no hydrogen 3.186 N/A GLN 414.A N ASP 444.A OD1 no hydrogen 2.854 N/A GLN 414.A N ASP 444.A OD2 no hydrogen 3.239 N/A SER 415.A N ASP 444.A OD2 no hydrogen 2.863 N/A SER 415.A OG ASP 439.A OD1 no hydrogen 3.281 N/A SER 415.A OG ASP 444.A OD2 no hydrogen 2.593 N/A GLY 417.A N LEU 300.A O no hydrogen 2.869 N/A SER 418.A N SER 433.A O no hydrogen 2.999 N/A VAL 419.A N GLY 297.A O no hydrogen 2.783 N/A GLY 420.A N LYS 431.A O no hydrogen 2.763 N/A LYS 422.A NZ GLU 69.A OE1 no hydrogen 3.394 N/A LYS 422.A NZ GLU 69.A OE2 no hydrogen 2.919 N/A ASP 425.A N SER 423.A OG no hydrogen 2.945 N/A PHE 427.A N ASP 425.A OD1 no hydrogen 3.094 N/A ALA 428.A N ASP 425.A O no hydrogen 3.131 N/A LYS 431.A N GLY 420.A O no hydrogen 2.880 N/A SER 433.A N SER 418.A O no hydrogen 2.955 N/A SER 433.A OG GLN 71.A OE1 no hydrogen 3.514 N/A GLY 435.A N GLN 71.A OE1 no hydrogen 3.328 N/A TYR 436.A OH ASP 302.A OD2 no hydrogen 2.565 N/A THR 438.A OG1 GLY 435.A O no hydrogen 2.781 N/A ASP 439.A N SER 415.A OG no hydrogen 3.035 N/A GLY 442.A N ASP 439.A O no hydrogen 3.184 N/A ALA 443.A N ASP 439.A OD2 no hydrogen 2.778 N/A ASP 444.A N ASP 439.A OD1 no hydrogen 3.221 N/A ALA 446.A N GLY 442.A O no hydrogen 3.186 N/A THR 447.A N ALA 443.A O no hydrogen 2.922 N/A THR 447.A OG1 ASP 368.A OD2 no hydrogen 2.592 N/A THR 447.A OG1 ALA 443.A O no hydrogen 3.159 N/A LEU 448.A N ASP 444.A O no hydrogen 3.181 N/A ARG 449.A N LEU 445.A O no hydrogen 2.885 N/A ARG 449.A NE ASP 485.A OD1 no hydrogen 2.787 N/A ARG 449.A NH2 ASP 485.A OD1 no hydrogen 3.156 N/A ARG 449.A NH2 ASP 485.A OD2 no hydrogen 2.731 N/A LYS 450.A N ALA 446.A O no hydrogen 2.915 N/A GLY 451.A N THR 447.A O no hydrogen 2.843 N/A ILE 452.A N LEU 448.A O no hydrogen 3.015 N/A HIS 453.A N ARG 449.A O no hydrogen 3.194 N/A TRP 454.A N LYS 450.A O no hydrogen 2.806 N/A ALA 455.A N GLY 451.A O no hydrogen 2.812 N/A ARG 456.A N ILE 452.A O no hydrogen 3.022 N/A ARG 456.A NE GLU 471.A OE2 no hydrogen 2.943 N/A ARG 456.A NH1 VAL 478.A O no hydrogen 2.822 N/A ARG 456.A NH2 GLU 471.A OE1 no hydrogen 2.752 N/A ARG 456.A NH2 GLY 475.A O no hydrogen 3.230 N/A ARG 456.A NH2 VAL 478.A O no hydrogen 2.903 N/A ASP 457.A N HIS 453.A O no hydrogen 2.936 N/A VAL 458.A N TRP 454.A O no hydrogen 2.952 N/A ALA 459.A N ALA 455.A O no hydrogen 2.979 N/A ARG 460.A N ASP 457.A O no hydrogen 3.332 N/A SER 461.A N VAL 458.A O no hydrogen 3.192 N/A SER 461.A OG VAL 458.A O no hydrogen 2.673 N/A SER 462.A N GLU 166.A OE1 no hydrogen 2.931 N/A SER 462.A OG GLU 166.A OE1 no hydrogen 3.566 N/A ALA 463.A N GLU 166.A OE2 no hydrogen 3.142 N/A LEU 464.A N SER 461.A OG no hydrogen 3.414 N/A SER 465.A N SER 461.A O no hydrogen 2.819 N/A SER 465.A OG SER 461.A O no hydrogen 2.785 N/A SER 465.A OG SER 462.A O no hydrogen 3.494 N/A GLU 466.A N SER 462.A O no hydrogen 3.305 N/A TYR 467.A N LEU 464.A O no hydrogen 2.878 N/A LEU 468.A N LEU 464.A O no hydrogen 3.284 N/A ASP 469.A N PRO 311.A O no hydrogen 2.956 N/A LEU 472.A N ALA 309.A O no hydrogen 2.852 N/A PHE 473.A N ALA 309.A O no hydrogen 3.128 N/A GLY 475.A N GLU 471.A OE1 no hydrogen 2.697 N/A VAL 478.A N GLY 475.A O no hydrogen 3.020 N/A VAL 479.A N GLN 483.A OE1 no hydrogen 2.939 N/A SER 480.A N GLN 483.A OE1 no hydrogen 3.020 N/A GLN 483.A N SER 480.A OG no hydrogen 3.160 N/A ILE 484.A N SER 480.A O no hydrogen 2.915 N/A ASP 485.A N ASP 481.A O no hydrogen 2.930 N/A GLU 486.A N ASP 482.A O no hydrogen 3.209 N/A TYR 487.A N GLN 483.A O no hydrogen 3.070 N/A TYR 487.A OH LEU 307.A O no hydrogen 2.757 N/A ILE 488.A N ILE 484.A O no hydrogen 2.892 N/A ARG 489.A N ASP 485.A O no hydrogen 2.972 N/A ARG 489.A NH1.B GLN 73.A O no hydrogen 2.671 N/A ARG 490.A N GLU 486.A O no hydrogen 3.089 N/A SER 491.A N TYR 487.A O no hydrogen 2.987 N/A SER 491.A N ILE 488.A O no hydrogen 3.174 N/A SER 491.A OG TYR 487.A O no hydrogen 2.725 N/A ILE 492.A N ILE 488.A O no hydrogen 2.892 N/A HIS 493.A N ALA 305.A O no hydrogen 2.928 N/A HIS 493.A ND1 SER 491.A O no hydrogen 2.785 N/A SER 494.A OG ASP 302.A OD1 no hydrogen 3.508 N/A SER 494.A OG ASP 302.A OD2 no hydrogen 2.567 N/A SER 494.A OG ASN 496.A OD1 no hydrogen 3.474 N/A SER 495.A N GLN 303.A O no hydrogen 3.094 N/A SER 495.A OG GLN 303.A O no hydrogen 2.671 N/A ASN 496.A N SER 494.A OG no hydrogen 2.819 N/A ALA 497.A N ASP 302.A OD1 no hydrogen 2.909 N/A THR 499.A N GLN 301.A O no hydrogen 2.904 N/A GLY 500.A N ALA 531.A O no hydrogen 3.251 N/A THR 501.A OG1 ALA 264.A O no hydrogen 2.626 N/A CYS 502.A N SER 532.A O no hydrogen 2.843 N/A LYS 503.A NZ SER 511.A OG no hydrogen 2.817 N/A MET 504.A N VAL 533.A O no hydrogen 2.999 N/A GLY 505.A N VAL 514.A O no hydrogen 3.042 N/A ASN 506.A ND2 GLY 110.A O no hydrogen 2.766 N/A ASP 509.A N ASN 506.A O no hydrogen 3.188 N/A SER 511.A N ASP 509.A OD1 no hydrogen 3.004 N/A SER 511.A OG ASP 509.A OD1 no hydrogen 2.548 N/A SER 512.A N ASP 509.A O no hydrogen 3.181 N/A SER 512.A OG ASP 509.A O no hydrogen 2.825 N/A SER 512.A OG HIS 521.A NE2 no hydrogen 2.790 N/A VAL 513.A N LYS 503.A O no hydrogen 2.851 N/A VAL 514.A N LYS 503.A O no hydrogen 3.282 N/A ASP 515.A N ARG 519.A O no hydrogen 3.058 N/A ASN 516.A ND2 GLU 112.A O no hydrogen 3.067 N/A GLN 517.A N ASP 515.A OD1 no hydrogen 2.940 N/A GLN 517.A NE2 ASN 516.A OD1 no hydrogen 2.893 N/A GLN 517.A NE2 ILE 563.A O no hydrogen 3.041 N/A LEU 518.A N ASP 515.A O no hydrogen 2.930 N/A ARG 519.A N ASP 515.A OD1 no hydrogen 2.955 N/A ARG 519.A NE ASP 515.A OD2 no hydrogen 3.020 N/A ARG 519.A NH2 ASP 515.A OD2 no hydrogen 2.898 N/A VAL 520.A N LEU 526.A O no hydrogen 3.033 N/A HIS 521.A N VAL 513.A O no hydrogen 3.147 N/A HIS 521.A NE2 SER 512.A OG no hydrogen 2.790 N/A VAL 523.A N VAL 520.A O no hydrogen 3.425 N/A GLU 524.A N ALA 231.A O no hydrogen 2.889 N/A ARG 527.A N VAL 258.A O no hydrogen 3.027 N/A ARG 527.A NE GLU 257.A OE1 no hydrogen 2.868 N/A ARG 527.A NH1 GLN 517.A O no hydrogen 2.838 N/A ARG 527.A NH2 GLU 257.A OE1 no hydrogen 3.497 N/A ARG 527.A NH2 GLU 257.A OE2 no hydrogen 3.035 N/A VAL 528.A N LEU 518.A O no hydrogen 3.041 N/A VAL 529.A N MET 260.A O no hydrogen 2.919 N/A SER 532.A N ASP 530.A OD1 no hydrogen 2.850 N/A SER 532.A OG ASP 530.A OD1 no hydrogen 2.409 N/A VAL 533.A N ASP 530.A O no hydrogen 3.447 N/A VAL 534.A N ALA 531.A O no hydrogen 3.285 N/A ILE 537.A N GLN 301.A OE1 no hydrogen 2.862 N/A GLY 539.A N ASP 105.A OD2 no hydrogen 3.030 N/A GLN 541.A NE2 GLN 370.A OE1 no hydrogen 2.951 N/A VAL 546.A N THR 542.A O no hydrogen 3.316 N/A VAL 547.A N GLY 543.A O no hydrogen 3.189 N/A MET 548.A N ALA 544.A O no hydrogen 3.012 N/A ILE 549.A N PRO 545.A O no hydrogen 2.982 N/A ALA 550.A N VAL 546.A O no hydrogen 2.999 N/A GLU 551.A N VAL 547.A O no hydrogen 2.871 N/A ARG 552.A N MET 548.A O no hydrogen 3.088 N/A ARG 552.A NH1 GLY 113.A O no hydrogen 2.618 N/A ARG 552.A NH2 GLY 113.A O no hydrogen 2.839 N/A ALA 553.A N ILE 549.A O no hydrogen 2.830 N/A ALA 554.A N ALA 550.A O no hydrogen 2.983 N/A ALA 555.A N GLU 551.A O no hydrogen 3.132 N/A LEU 556.A N ARG 552.A O no hydrogen 2.889 N/A LEU 557.A N ALA 553.A O no hydrogen 2.944 N/A THR 558.A N ALA 554.A O no hydrogen 2.972 N/A THR 558.A OG1 ALA 554.A O no hydrogen 2.909 N/A THR 558.A OG1 ALA 555.A O no hydrogen 3.244 N/A GLY 559.A N LEU 556.A O no hydrogen 3.209 N/A LYS 560.A N ALA 555.A O no hydrogen 2.698 N/A ALA 561.A N ALA 555.A O no hydrogen 3.228 N/A