Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kgj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ALA 413.A O no hydrogen 3.023 N/A LEU 4.A N SER 364.A O no hydrogen 2.602 N/A VAL 5.A N THR 415.A O no hydrogen 3.030 N/A GLN 6.A N GLU 362.A O no hydrogen 3.019 N/A VAL 7.A N ARG 417.A O no hydrogen 3.183 N/A ASP 8.A N TRP 360.A O no hydrogen 3.072 N/A ALA 9.A N ARG 419.A O no hydrogen 2.810 N/A ARG 11.A N ASP 8.A O no hydrogen 3.287 N/A LEU 13.A N GLN 358.A O no hydrogen 2.992 N/A TRP 14.A NE1 GLN 358.A OE1 no hydrogen 2.823 N/A LEU 16.A N GLU 356.A O no hydrogen 2.746 N/A ARG 18.A NH1 HIS 47.A O no hydrogen 3.359 N/A ARG 18.A NH2 HIS 47.A O no hydrogen 2.860 N/A PHE 19.A N ARG 17.A O no hydrogen 2.983 N/A ARG 21.A NE ARG 18.A O no hydrogen 3.363 N/A ARG 21.A NH1 ARG 48.A O no hydrogen 3.116 N/A SER 22.A OG THR 23.A O no hydrogen 3.456 N/A SER 22.A OG SER 305.A OG no hydrogen 2.812 N/A THR 23.A N GLN 52.A O no hydrogen 2.849 N/A THR 23.A OG1 ASN 306.A O no hydrogen 3.160 N/A THR 23.A OG1 ASN 308.A OD1 no hydrogen 2.924 N/A PHE 25.A N ARG 54.A O no hydrogen 3.159 N/A CYS 26.A SG PRO 27.A O no hydrogen 3.237 N/A SER 32.A N TYR 29.A O no hydrogen 3.263 N/A SER 32.A OG TYR 29.A O no hydrogen 2.910 N/A GLN 36.A N SER 32.A O no hydrogen 3.295 N/A GLN 36.A NE2 LEU 31.A O no hydrogen 3.106 N/A GLN 36.A NE2 SER 32.A O no hydrogen 3.683 N/A LEU 37.A N TRP 33.A O no hydrogen 3.171 N/A ASN 38.A N ASP 34.A O no hydrogen 3.034 N/A ASN 38.A ND2 GLN 35.A OE1 no hydrogen 2.762 N/A ASN 38.A ND2 ALA 309.A O no hydrogen 2.844 N/A LEU 39.A N GLN 35.A O no hydrogen 2.845 N/A ALA 40.A N GLN 36.A O no hydrogen 3.155 N/A TYR 41.A N LEU 37.A O no hydrogen 2.916 N/A VAL 42.A N ASN 38.A O no hydrogen 2.976 N/A GLY 43.A N LEU 39.A O no hydrogen 2.954 N/A ALA 44.A N TYR 41.A O no hydrogen 3.171 N/A VAL 45.A N VAL 42.A O no hydrogen 3.429 N/A HIS 47.A N ASP 528.A OD2 no hydrogen 2.837 N/A GLY 49.A N VAL 45.A O no hydrogen 3.267 N/A GLY 49.A N PRO 46.A O no hydrogen 3.077 N/A LYS 51.A N ARG 21.A O no hydrogen 2.854 N/A GLN 52.A N ARG 21.A O no hydrogen 3.318 N/A GLN 52.A NE2 SER 22.A OG no hydrogen 2.982 N/A VAL 53.A N LEU 85.A O no hydrogen 2.937 N/A ARG 54.A N THR 23.A O no hydrogen 2.798 N/A ARG 54.A NE GLU 136.A OE1 no hydrogen 2.789 N/A ARG 54.A NH1 ASN 139.A OD1 no hydrogen 3.080 N/A ARG 54.A NH1 HIS 220.A NE2 no hydrogen 3.570 N/A ARG 54.A NH1 GLU 257.A OE2 no hydrogen 3.163 N/A ARG 54.A NH2 GLU 136.A OE1 no hydrogen 3.561 N/A ARG 54.A NH2 ASN 139.A OD1 no hydrogen 2.667 N/A ARG 54.A NH2 HIS 220.A NE2 no hydrogen 3.483 N/A THR 55.A N GLY 87.A O no hydrogen 3.332 N/A THR 55.A OG1 VAL 53.A O no hydrogen 2.906 N/A THR 55.A OG1 TYR 75.A OH no hydrogen 2.521 N/A HIS 56.A N PHE 25.A O no hydrogen 3.312 N/A LEU 59.A N MET 91.A O no hydrogen 3.068 N/A GLU 60.A N TRP 57.A O no hydrogen 2.845 N/A LEU 61.A N LEU 58.A O no hydrogen 3.127 N/A THR 63.A N ASN 68.A O no hydrogen 3.287 N/A THR 64.A OG1 ALA 94.A O no hydrogen 3.272 N/A ASN 68.A N THR 63.A O no hydrogen 2.983 N/A THR 70.A N ASN 68.A OD1 no hydrogen 3.166 N/A THR 70.A OG1 ASN 68.A OD1 no hydrogen 2.928 N/A LEU 72.A N LEU 61.A O no hydrogen 3.107 N/A ASP 73.A N PHE 69.A O no hydrogen 2.838 N/A GLY 74.A N THR 70.A O no hydrogen 3.102 N/A TYR 75.A N HIS 71.A O no hydrogen 3.186 N/A TYR 75.A OH THR 55.A OG1 no hydrogen 2.521 N/A LEU 76.A N LEU 72.A O no hydrogen 2.990 N/A ASP 77.A N ASP 73.A O no hydrogen 2.946 N/A LEU 78.A N GLY 74.A O no hydrogen 3.027 N/A LEU 79.A N TYR 75.A O no hydrogen 2.834 N/A ARG 80.A N LEU 76.A O no hydrogen 2.799 N/A GLU 81.A N ASP 77.A O no hydrogen 2.811 N/A ASN 82.A N LEU 79.A O no hydrogen 3.197 N/A ASN 82.A ND2 LEU 78.A O no hydrogen 2.867 N/A GLN 83.A N ARG 80.A O no hydrogen 3.061 N/A GLN 83.A NE2 SER 527.A OG no hydrogen 2.667 N/A LEU 84.A N LEU 79.A O no hydrogen 2.892 N/A LEU 85.A N LYS 51.A O no hydrogen 2.881 N/A GLY 87.A N VAL 53.A O no hydrogen 2.951 N/A LEU 90.A N GLU 136.A O no hydrogen 2.690 N/A SER 93.A N GLU 60.A OE2 no hydrogen 3.115 N/A SER 93.A OG GLU 60.A OE1 no hydrogen 3.202 N/A SER 93.A OG GLU 60.A OE2 no hydrogen 2.650 N/A ALA 94.A N LEU 59.A O no hydrogen 3.016 N/A SER 95.A OG VAL 62.A O no hydrogen 3.374 N/A GLY 96.A N SER 93.A OG no hydrogen 3.081 N/A HIS 97.A N ALA 94.A O no hydrogen 3.361 N/A HIS 97.A NE2 GLU 109.A OE1 no hydrogen 2.884 N/A PHE 98.A N SER 93.A O no hydrogen 3.130 N/A THR 99.A N GLN 106.A OE1 no hydrogen 2.691 N/A ASP 100.A N GLN 106.A OE1 no hydrogen 3.204 N/A PHE 101.A N SER 150.A O no hydrogen 3.466 N/A GLU 102.A N ASP 100.A OD1 no hydrogen 2.685 N/A GLN 105.A N ASP 103.A OD1 no hydrogen 3.135 N/A GLN 106.A N ASP 103.A O no hydrogen 2.844 N/A GLN 106.A NE2 THR 99.A OG1 no hydrogen 3.144 N/A GLN 106.A NE2 ASP 103.A OD2 no hydrogen 3.217 N/A VAL 107.A N ASP 103.A O no hydrogen 3.109 N/A PHE 108.A N LYS 104.A O no hydrogen 3.448 N/A GLU 109.A N GLN 105.A O no hydrogen 3.283 N/A TRP 110.A N GLN 106.A O no hydrogen 2.914 N/A LYS 111.A N VAL 107.A O no hydrogen 3.248 N/A ASP 112.A N PHE 108.A O no hydrogen 3.131 N/A LEU 113.A N GLU 109.A O no hydrogen 2.893 N/A VAL 114.A N TRP 110.A O no hydrogen 2.983 N/A SER 115.A N LYS 111.A O no hydrogen 3.100 N/A SER 116.A N ASP 112.A O no hydrogen 2.873 N/A LEU 117.A N LEU 113.A O no hydrogen 3.012 N/A ALA 118.A N VAL 114.A O no hydrogen 2.983 N/A ARG 119.A N SER 115.A O no hydrogen 3.066 N/A ARG 119.A NE SER 115.A OG no hydrogen 2.874 N/A ARG 120.A N SER 116.A O no hydrogen 2.980 N/A ARG 120.A NH2 ASP 73.A OD2 no hydrogen 2.673 N/A TYR 121.A N LEU 117.A O no hydrogen 2.840 N/A TYR 121.A OH ASP 73.A OD1 no hydrogen 3.265 N/A ILE 122.A N ALA 118.A O no hydrogen 2.787 N/A GLY 123.A N ARG 119.A O no hydrogen 2.764 N/A ARG 124.A N ARG 120.A O no hydrogen 2.753 N/A ARG 124.A NE ASP 77.A OD1 no hydrogen 3.176 N/A ARG 124.A NE ASP 77.A OD2 no hydrogen 3.467 N/A ARG 124.A NH2 ASP 77.A OD2 no hydrogen 3.096 N/A TYR 125.A N TYR 121.A O no hydrogen 2.796 N/A TYR 125.A OH ASP 77.A OD1 no hydrogen 2.811 N/A GLY 126.A N ILE 122.A O no hydrogen 2.802 N/A VAL 130.A N GLY 126.A O no hydrogen 3.266 N/A SER 131.A N LEU 127.A O no hydrogen 2.955 N/A SER 131.A OG LEU 127.A O no hydrogen 3.098 N/A SER 131.A OG ALA 173.A O no hydrogen 3.457 N/A LYS 132.A N HIS 129.A O no hydrogen 2.977 N/A TRP 133.A N VAL 130.A O no hydrogen 3.284 N/A ASN 134.A ND2 GLN 52.A OE1 no hydrogen 3.125 N/A PHE 135.A N ARG 175.A O no hydrogen 3.160 N/A GLU 136.A N PHE 88.A O no hydrogen 2.788 N/A THR 137.A N GLY 177.A O no hydrogen 3.247 N/A THR 137.A OG1 PRO 179.A O no hydrogen 3.139 N/A TRP 138.A N TYR 159.A OH no hydrogen 2.693 N/A TRP 138.A NE1 ASP 145.A O no hydrogen 3.088 N/A GLU 140.A N GLY 180.A O no hydrogen 3.149 N/A ASP 142.A N ASP 181.A OD2 no hydrogen 2.706 N/A HIS 143.A N GLU 140.A O no hydrogen 3.066 N/A VAL 149.A N PHE 146.A O no hydrogen 3.164 N/A SER 150.A N THR 99.A O no hydrogen 2.637 N/A THR 152.A OG1 GLU 102.A OE2 no hydrogen 2.662 N/A GLN 154.A NE2 GLN 154.A O no hydrogen 3.301 N/A GLN 154.A NE2 ASN 158.A OD1 no hydrogen 3.185 N/A GLY 155.A N THR 152.A OG1 no hydrogen 3.067 N/A PHE 156.A N THR 152.A O no hydrogen 2.776 N/A LEU 157.A N MET 153.A O no hydrogen 3.293 N/A LEU 157.A N GLN 154.A O no hydrogen 3.089 N/A ASN 158.A N GLN 154.A O no hydrogen 3.069 N/A ASN 158.A ND2 PHE 101.A O no hydrogen 2.906 N/A TYR 159.A N GLY 155.A O no hydrogen 2.911 N/A TYR 159.A OH LEU 90.A O no hydrogen 2.696 N/A TYR 160.A N PHE 156.A O no hydrogen 2.987 N/A TYR 160.A OH ARG 213.A O no hydrogen 2.683 N/A ASP 161.A N LEU 157.A O no hydrogen 2.955 N/A ALA 162.A N ASN 158.A O no hydrogen 2.942 N/A CYS 163.A N TYR 159.A O no hydrogen 2.910 N/A CYS 163.A SG TYR 159.A O no hydrogen 3.476 N/A SER 164.A N TYR 160.A O no hydrogen 2.760 N/A GLU 165.A N ASP 161.A O no hydrogen 2.796 N/A GLY 166.A N ALA 162.A O no hydrogen 2.894 N/A LEU 167.A N CYS 163.A O no hydrogen 3.012 N/A ARG 168.A N SER 164.A O no hydrogen 3.017 N/A ALA 169.A N GLU 165.A O no hydrogen 2.845 N/A ALA 170.A N GLY 166.A O no hydrogen 3.300 N/A ALA 170.A N LEU 167.A O no hydrogen 3.065 N/A SER 171.A N LEU 167.A O no hydrogen 2.986 N/A ALA 173.A N SER 171.A OG no hydrogen 3.238 N/A LEU 174.A N SER 171.A O no hydrogen 3.348 N/A ARG 175.A NH1 LYS 132.A O no hydrogen 3.333 N/A ARG 175.A NH1 ASN 134.A OD1 no hydrogen 3.005 N/A LEU 176.A N ASP 215.A OD2 no hydrogen 2.779 N/A GLY 177.A N PHE 135.A O no hydrogen 3.071 N/A GLY 178.A N TYR 216.A O no hydrogen 3.259 N/A GLY 180.A N SER 218.A O no hydrogen 2.889 N/A SER 182.A N ASP 181.A OD1 no hydrogen 2.799 N/A SER 182.A OG ASP 181.A OD1 no hydrogen 3.295 N/A SER 182.A OG HIS 184.A NE2 no hydrogen 2.908 N/A HIS 184.A N SER 189.A OG no hydrogen 2.789 N/A ARG 188.A N THR 185.A O no hydrogen 3.046 N/A LEU 191.A N ASP 142.A OD1 no hydrogen 2.947 N/A SER 192.A N ASP 142.A OD2 no hydrogen 3.005 N/A SER 192.A OG ASP 142.A OD2 no hydrogen 2.701 N/A TRP 193.A N SER 189.A O no hydrogen 3.103 N/A TRP 193.A NE1 HIS 184.A O no hydrogen 2.808 N/A GLY 194.A N PRO 190.A O no hydrogen 2.824 N/A LEU 195.A N LEU 191.A O no hydrogen 2.917 N/A LEU 196.A N SER 192.A O no hydrogen 3.486 N/A ARG 197.A N TRP 193.A O no hydrogen 3.164 N/A HIS 198.A N GLY 194.A O no hydrogen 3.004 N/A HIS 198.A NE2 ASP 161.A OD1 no hydrogen 2.677 N/A CYS 199.A N LEU 195.A O no hydrogen 2.818 N/A CYS 199.A SG LEU 195.A O no hydrogen 3.596 N/A CYS 199.A SG ARG 213.A O no hydrogen 4.013 N/A HIS 200.A N LEU 196.A O no hydrogen 2.735 N/A HIS 200.A ND1 ASP 201.A OD1 no hydrogen 2.775 N/A ASP 201.A N ARG 197.A O no hydrogen 2.767 N/A GLY 202.A N HIS 198.A O no hydrogen 2.581 N/A ASN 204.A N GLU 209.A O no hydrogen 2.952 N/A ASN 204.A ND2 GLU 165.A OE2 no hydrogen 3.121 N/A PHE 205.A N ASP 161.A OD2 no hydrogen 3.160 N/A PHE 206.A N ASN 204.A OD1 no hydrogen 2.932 N/A THR 207.A N ASN 204.A OD1 no hydrogen 3.033 N/A THR 207.A OG1 GLU 209.A OE2 no hydrogen 2.867 N/A GLY 208.A N ASN 204.A O no hydrogen 2.827 N/A GLY 211.A N GLY 202.A O no hydrogen 2.733 N/A VAL 212.A N CYS 199.A O no hydrogen 2.882 N/A ARG 213.A NE SER 164.A OG no hydrogen 2.655 N/A ARG 213.A NH1 LEU 174.A O no hydrogen 2.720 N/A ARG 213.A NH1 ASP 215.A OD2 no hydrogen 3.127 N/A ARG 213.A NH2 SER 164.A O no hydrogen 2.841 N/A ARG 213.A NH2 SER 164.A OG no hydrogen 3.373 N/A ASP 215.A N LEU 176.A O no hydrogen 3.034 N/A TYR 216.A OH PHE 135.A O no hydrogen 2.932 N/A ILE 217.A N PRO 252.A O no hydrogen 2.906 N/A SER 218.A N GLY 178.A O no hydrogen 2.749 N/A SER 218.A OG GLU 136.A OE2 no hydrogen 2.775 N/A LEU 219.A N TYR 254.A O no hydrogen 2.843 N/A HIS 220.A N ASP 181.A O no hydrogen 2.806 N/A HIS 220.A NE2 ASN 139.A OD1 no hydrogen 2.738 N/A ARG 221.A N ASN 255.A OD1 no hydrogen 3.196 N/A ARG 221.A NE SER 182.A O no hydrogen 2.590 N/A ARG 221.A NH1 GLN 233.A OE1 no hydrogen 2.883 N/A ARG 221.A NH2 SER 182.A O no hydrogen 3.201 N/A ARG 221.A NH2 PHE 183.A O no hydrogen 3.015 N/A LYS 222.A NZ GLU 257.A OE1 no hydrogen 3.468 N/A LYS 222.A NZ ASP 259.A OD2 no hydrogen 2.938 N/A GLY 223.A N ASP 259.A O no hydrogen 2.785 N/A ARG 225.A N PRO 260.A O no hydrogen 2.705 N/A ARG 225.A NH2 GLN 268.A OE1 no hydrogen 2.755 N/A SER 226.A N GLY 223.A O no hydrogen 3.102 N/A SER 227.A N ASP 403.A OD2 no hydrogen 3.184 N/A SER 227.A OG GLN 286.A OE1 no hydrogen 3.080 N/A SER 227.A OG ASP 403.A OD1 no hydrogen 3.171 N/A SER 229.A N SER 226.A OG no hydrogen 3.200 N/A ILE 230.A N SER 227.A O no hydrogen 3.327 N/A GLU 232.A N ILE 228.A O no hydrogen 2.860 N/A GLN 233.A N SER 229.A O no hydrogen 2.969 N/A GLN 233.A NE2 LYS 222.A O no hydrogen 2.929 N/A GLN 233.A NE2 SER 229.A O no hydrogen 3.032 N/A GLU 234.A N ILE 230.A O no hydrogen 3.125 N/A LYS 235.A N LEU 231.A O no hydrogen 3.100 N/A VAL 236.A N GLU 232.A O no hydrogen 3.315 N/A VAL 237.A N GLN 233.A O no hydrogen 3.204 N/A ALA 238.A N GLU 234.A O no hydrogen 2.815 N/A GLN 239.A N LYS 235.A O no hydrogen 3.009 N/A GLN 240.A N VAL 236.A O no hydrogen 3.086 N/A ILE 241.A N VAL 237.A O no hydrogen 2.930 N/A ARG 242.A N ALA 238.A O no hydrogen 3.114 N/A ARG 242.A NH1 SER 297.A O no hydrogen 3.004 N/A ARG 242.A NH2 SER 297.A O no hydrogen 2.623 N/A ARG 242.A NH2 ALA 298.A O no hydrogen 3.510 N/A GLN 243.A N GLN 239.A O no hydrogen 3.156 N/A LEU 244.A N GLN 240.A O no hydrogen 3.104 N/A PHE 245.A N ILE 241.A O no hydrogen 2.849 N/A LYS 247.A N HIS 200.A NE2 no hydrogen 3.275 N/A LYS 247.A NZ HIS 200.A O no hydrogen 2.743 N/A PHE 248.A N PHE 245.A O no hydrogen 2.931 N/A ALA 249.A N PRO 246.A O no hydrogen 3.351 N/A THR 251.A N PHE 248.A O no hydrogen 2.869 N/A THR 251.A OG1 PHE 248.A O no hydrogen 3.415 N/A ILE 253.A N PRO 300.A O no hydrogen 2.593 N/A TYR 254.A N ILE 217.A O no hydrogen 2.991 N/A TYR 254.A OH ASN 134.A OD1 no hydrogen 2.663 N/A ASN 255.A N LEU 303.A O no hydrogen 2.756 N/A ASN 255.A ND2 ARG 221.A O no hydrogen 3.063 N/A ASN 255.A ND2 GLU 234.A OE2 no hydrogen 2.622 N/A ASP 256.A N LEU 219.A O no hydrogen 3.279 N/A GLU 257.A N ASN 255.A OD1 no hydrogen 3.418 N/A ALA 258.A N SER 305.A O no hydrogen 2.828 N/A LEU 266.A N GLY 263.A O no hydrogen 3.387 N/A GLN 268.A N ALA 319.A O no hydrogen 2.909 N/A GLN 268.A NE2 PRO 267.A O no hydrogen 2.812 N/A TRP 270.A NE1 GLN 268.A OE1 no hydrogen 3.230 N/A ARG 271.A N GLN 268.A O no hydrogen 3.040 N/A ARG 271.A NH1 GLY 263.A O no hydrogen 2.736 N/A ARG 271.A NH1 LEU 266.A O no hydrogen 2.653 N/A ARG 271.A NH2 GLY 263.A O no hydrogen 3.180 N/A ALA 272.A N PRO 269.A O no hydrogen 3.279 N/A VAL 274.A N ASN 436.A OD1 no hydrogen 2.867 N/A THR 275.A N ASP 273.A OD1 no hydrogen 3.369 N/A THR 275.A OG1 ASP 273.A OD1 no hydrogen 2.776 N/A TYR 276.A N TRP 270.A O no hydrogen 3.109 N/A ALA 278.A N VAL 274.A O no hydrogen 2.805 N/A MET 279.A N THR 275.A O no hydrogen 3.116 N/A VAL 280.A N TYR 276.A O no hydrogen 2.944 N/A VAL 281.A N ALA 277.A O no hydrogen 3.395 N/A LYS 282.A N ALA 278.A O no hydrogen 2.978 N/A LYS 282.A NZ SER 401.A O no hydrogen 2.794 N/A LYS 282.A NZ ASP 403.A OD1 no hydrogen 2.813 N/A VAL 283.A N MET 279.A O no hydrogen 2.900 N/A ILE 284.A N VAL 280.A O no hydrogen 3.207 N/A ALA 285.A N VAL 281.A O no hydrogen 2.777 N/A GLN 286.A N LYS 282.A O no hydrogen 2.904 N/A GLN 286.A NE2 SER 227.A OG no hydrogen 3.161 N/A GLN 286.A NE2 SER 372.A O no hydrogen 3.183 N/A HIS 287.A N VAL 283.A O no hydrogen 3.063 N/A HIS 287.A ND1 VAL 283.A O no hydrogen 2.700 N/A HIS 287.A NE2 GLU 234.A OE1 no hydrogen 2.528 N/A GLN 288.A N ILE 284.A O no hydrogen 2.875 N/A GLN 288.A NE2 GLN 358.A OE1 no hydrogen 2.648 N/A ASN 289.A N ALA 285.A O no hydrogen 2.793 N/A ASN 289.A ND2 SER 372.A OG no hydrogen 2.794 N/A ASN 289.A ND2 VAL 378.A O no hydrogen 3.376 N/A LEU 290.A N GLN 286.A O no hydrogen 2.780 N/A LEU 292.A N HIS 287.A O no hydrogen 3.243 N/A LEU 292.A N GLN 288.A O no hydrogen 3.217 N/A THR 295.A OG1 LEU 291.A O no hydrogen 3.552 N/A TYR 301.A OH GLU 234.A OE1 no hydrogen 3.285 N/A TYR 301.A OH GLU 234.A OE2 no hydrogen 2.680 N/A ALA 302.A N ILE 253.A O no hydrogen 2.980 N/A LEU 304.A N PHE 19.A O no hydrogen 2.914 N/A SER 305.A N ASN 255.A O no hydrogen 2.906 N/A SER 305.A OG SER 22.A OG no hydrogen 2.812 N/A SER 305.A OG ASP 256.A O no hydrogen 3.332 N/A ASP 307.A N ASP 259.A OD1 no hydrogen 3.105 N/A ASN 308.A N ASN 306.A O no hydrogen 2.733 N/A ASN 308.A ND2 TYR 276.A OH no hydrogen 3.172 N/A ALA 309.A N GLY 24.A O no hydrogen 2.965 N/A SER 312.A OG PRO 317.A O no hydrogen 2.967 N/A TYR 313.A N GLN 320.A OE1 no hydrogen 3.114 N/A HIS 316.A N TYR 313.A O no hydrogen 3.133 N/A GLN 320.A NE2 SER 265.A O no hydrogen 2.861 N/A ARG 321.A N TRP 264.A O no hydrogen 2.973 N/A ARG 321.A NH1 LEU 261.A O no hydrogen 2.819 N/A ARG 321.A NH2 ASP 307.A O no hydrogen 2.856 N/A THR 322.A OG1 GLN 320.A O no hydrogen 3.453 N/A THR 322.A OG1 THR 324.A O no hydrogen 2.660 N/A THR 324.A OG1 ASN 38.A OD1 no hydrogen 3.005 N/A ALA 325.A N LEU 340.A O no hydrogen 2.722 N/A ARG 326.A N SER 312.A OG no hydrogen 2.915 N/A ARG 326.A NE SER 312.A O no hydrogen 2.844 N/A ARG 326.A NH1 ASP 34.A OD2 no hydrogen 2.810 N/A ARG 326.A NH2 SER 312.A O no hydrogen 2.896 N/A PHE 327.A N GLN 338.A O no hydrogen 2.787 N/A THR 332.A OG1 PRO 334.A O no hydrogen 3.078 N/A THR 332.A OG1 HIS 336.A ND1 no hydrogen 2.854 N/A HIS 336.A N VAL 329.A O no hydrogen 2.980 N/A HIS 336.A ND1 THR 332.A OG1 no hydrogen 2.854 N/A GLN 338.A N PHE 327.A O no hydrogen 2.824 N/A GLN 338.A NE2 HIS 336.A NE2 no hydrogen 3.644 N/A LEU 340.A N ALA 325.A O no hydrogen 2.816 N/A ARG 341.A N GLU 466.A OE2 no hydrogen 2.856 N/A ARG 341.A NH1 THR 346.A OG1 no hydrogen 3.423 N/A ARG 341.A NH1 ASP 467.A OD1 no hydrogen 3.144 N/A ARG 341.A NH2 ASP 467.A OD1 no hydrogen 3.401 N/A LYS 342.A N LEU 323.A O no hydrogen 3.189 N/A LYS 342.A NZ ARG 271.A O no hydrogen 2.805 N/A LYS 342.A NZ PHE 318.A O no hydrogen 2.691 N/A LYS 342.A NZ THR 322.A O no hydrogen 3.097 N/A LYS 342.A NZ THR 322.A OG1 no hydrogen 3.422 N/A LEU 345.A N LYS 342.A O no hydrogen 3.026 N/A THR 346.A N LYS 342.A O no hydrogen 3.271 N/A THR 346.A OG1 LYS 342.A O no hydrogen 3.304 N/A THR 346.A OG1 GLU 466.A O no hydrogen 3.356 N/A ALA 347.A N PRO 343.A O no hydrogen 2.782 N/A MET 348.A N VAL 344.A O no hydrogen 3.130 N/A MET 348.A N LEU 345.A O no hydrogen 3.010 N/A GLY 349.A N THR 346.A O no hydrogen 2.996 N/A LEU 350.A N ALA 347.A O no hydrogen 3.169 N/A LEU 351.A N ALA 347.A O no hydrogen 3.163 N/A ALA 352.A N MET 348.A O no hydrogen 3.158 N/A LEU 353.A N LEU 350.A O no hydrogen 3.221 N/A LEU 354.A N LEU 351.A O no hydrogen 3.044 N/A ASP 355.A N SER 381.A OG no hydrogen 2.969 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.839 N/A GLU 357.A N ALA 382.A O no hydrogen 3.291 N/A GLN 358.A N TRP 14.A O no hydrogen 3.208 N/A GLN 358.A NE2 ASN 289.A OD1 no hydrogen 2.782 N/A LEU 359.A N ALA 380.A O no hydrogen 3.009 N/A TRP 360.A N ARG 11.A O no hydrogen 3.125 N/A GLU 362.A N GLN 6.A O no hydrogen 3.023 N/A SER 364.A N LEU 4.A O no hydrogen 2.858 N/A GLN 365.A N THR 368.A O no hydrogen 2.831 N/A GLN 365.A NE2 ALA 1.A O no hydrogen 3.449 N/A THR 368.A N GLN 365.A O no hydrogen 3.325 N/A LEU 370.A N VAL 363.A O no hydrogen 2.730 N/A HIS 374.A ND1 ASP 371.A O no hydrogen 2.925 N/A GLY 377.A N TYR 399.A O no hydrogen 3.240 N/A LEU 379.A N LEU 397.A O no hydrogen 2.927 N/A SER 381.A N ALA 395.A O no hydrogen 2.874 N/A ALA 382.A N GLU 357.A O no hydrogen 2.793 N/A HIS 383.A N ARG 393.A O no hydrogen 3.125 N/A HIS 383.A ND1 GLU 356.A OE1 no hydrogen 2.669 N/A HIS 383.A NE2 ASP 390.A OD2 no hydrogen 2.718 N/A ARG 384.A N GLU 356.A OE2 no hydrogen 3.012 N/A GLN 386.A N ASP 390.A OD1 no hydrogen 3.240 N/A GLN 386.A N ASP 390.A OD2 no hydrogen 2.942 N/A ARG 393.A NE ASP 355.A OD1 no hydrogen 3.339 N/A ARG 393.A NE ASP 355.A OD2 no hydrogen 3.259 N/A ARG 393.A NH2 ASP 355.A OD1 no hydrogen 3.066 N/A ALA 394.A N VAL 498.A O no hydrogen 2.777 N/A ALA 395.A N SER 381.A O no hydrogen 3.026 N/A VAL 396.A N VAL 496.A O no hydrogen 3.032 N/A LEU 397.A N LEU 379.A O no hydrogen 2.699 N/A ILE 398.A N LEU 494.A O no hydrogen 2.815 N/A TYR 399.A N GLY 377.A O no hydrogen 3.044 N/A ALA 400.A N SER 492.A O no hydrogen 2.882 N/A SER 401.A N THR 375.A O no hydrogen 2.735 N/A ASP 403.A N SER 401.A OG no hydrogen 3.247 N/A THR 404.A OG1 ARG 225.A O no hydrogen 3.175 N/A ARG 405.A N ASP 402.A O no hydrogen 3.181 N/A ARG 405.A NE ASP 402.A OD2 no hydrogen 2.849 N/A ARG 405.A NH2 ASP 402.A OD1 no hydrogen 3.239 N/A HIS 407.A N LEU 490.A O no hydrogen 2.907 N/A HIS 407.A NE2 ASP 402.A OD2 no hydrogen 3.060 N/A ARG 410.A N HIS 407.A O no hydrogen 3.342 N/A VAL 412.A N LEU 488.A O no hydrogen 2.643 N/A VAL 414.A N PRO 486.A O no hydrogen 3.223 N/A THR 415.A N HIS 3.A O no hydrogen 2.925 N/A LEU 416.A N LEU 484.A O no hydrogen 2.954 N/A ARG 417.A N VAL 5.A O no hydrogen 2.697 N/A LEU 418.A N LEU 482.A O no hydrogen 2.699 N/A ARG 419.A N VAL 7.A O no hydrogen 2.826 N/A VAL 421.A N GLY 480.A O no hydrogen 3.079 N/A VAL 428.A N CYS 499.A O.A no hydrogen 3.168 N/A VAL 428.A N CYS 499.A O.B no hydrogen 3.164 N/A TYR 429.A N ARG 474.A O no hydrogen 2.920 N/A VAL 430.A N HIS 497.A O no hydrogen 2.827 N/A ARG 432.A N LEU 495.A O no hydrogen 3.142 N/A ARG 432.A NH1 TYR 580.A OH no hydrogen 2.839 N/A ARG 432.A NH2 TYR 580.A OH no hydrogen 2.749 N/A TYR 433.A N VAL 469.A O no hydrogen 3.172 N/A TYR 433.A OH ASP 435.A OD2 no hydrogen 2.814 N/A LEU 434.A N LEU 493.A O no hydrogen 2.890 N/A LEU 438.A N ASP 435.A OD1 no hydrogen 2.982 N/A CYS 439.A N ASP 435.A O no hydrogen 2.849 N/A CYS 439.A SG TYR 433.A O no hydrogen 3.506 N/A CYS 439.A SG ASP 467.A O no hydrogen 3.478 N/A GLY 443.A N SER 440.A OG no hydrogen 2.894 N/A GLU 444.A N SER 440.A O no hydrogen 3.018 N/A TRP 445.A N PRO 441.A O no hydrogen 2.831 N/A TRP 445.A NE1 PRO 451.A O no hydrogen 3.027 N/A ARG 446.A N ASP 442.A O no hydrogen 2.983 N/A ARG 447.A N GLY 443.A O no hydrogen 2.991 N/A ARG 447.A NE GLU 444.A OE2 no hydrogen 3.462 N/A LEU 448.A N GLU 444.A O no hydrogen 3.012 N/A GLY 449.A N ARG 446.A O no hydrogen 3.061 N/A ARG 450.A N TRP 445.A O no hydrogen 2.952 N/A THR 455.A N GLN 458.A OE1 no hydrogen 2.931 N/A GLN 458.A N THR 455.A OG1 no hydrogen 3.355 N/A PHE 459.A N THR 455.A O no hydrogen 2.967 N/A ARG 460.A N ALA 456.A O no hydrogen 2.945 N/A ARG 460.A NE SER 563.A O no hydrogen 2.675 N/A ARG 460.A NH1 GLU 457.A OE1 no hydrogen 3.071 N/A ARG 460.A NH2 SER 563.A O no hydrogen 3.380 N/A ARG 461.A N GLU 457.A O no hydrogen 2.988 N/A MET 462.A N GLN 458.A O no hydrogen 3.099 N/A ARG 463.A N PHE 459.A O no hydrogen 2.885 N/A ARG 463.A NH2 GLN 338.A OE1 no hydrogen 2.820 N/A ARG 463.A NH2 LEU 339.A O no hydrogen 3.175 N/A ALA 464.A N ARG 460.A O no hydrogen 3.086 N/A ALA 465.A N MET 462.A O no hydrogen 3.411 N/A GLU 466.A N ARG 463.A O no hydrogen 2.962 N/A VAL 469.A N TYR 433.A O no hydrogen 3.007 N/A ALA 471.A N THR 431.A O no hydrogen 3.141 N/A ARG 474.A N TYR 429.A O no hydrogen 3.313 N/A ARG 474.A NE TYR 429.A OH no hydrogen 3.311 N/A LEU 476.A N LEU 427.A O no hydrogen 2.604 N/A LEU 482.A N LEU 418.A O no hydrogen 2.959 N/A LEU 484.A N LEU 416.A O no hydrogen 3.071 N/A LEU 488.A N VAL 412.A O no hydrogen 2.834 N/A ARG 489.A NE ARG 410.A O no hydrogen 2.875 N/A ARG 489.A NH1 ARG 410.A O no hydrogen 3.158 N/A SER 492.A N ALA 400.A O no hydrogen 3.064 N/A SER 492.A OG ARG 489.A O no hydrogen 2.701 N/A LEU 493.A N LEU 434.A O no hydrogen 3.016 N/A LEU 494.A N ILE 398.A O no hydrogen 2.900 N/A LEU 495.A N ARG 432.A O no hydrogen 2.914 N/A VAL 496.A N VAL 396.A O no hydrogen 2.966 N/A HIS 497.A N VAL 430.A O no hydrogen 2.816 N/A HIS 497.A ND1 TYR 580.A OH no hydrogen 2.960 N/A VAL 498.A N ALA 394.A O no hydrogen 2.964 N/A CYS 499.A N.A VAL 428.A O no hydrogen 3.023 N/A CYS 499.A N.B VAL 428.A O no hydrogen 3.030 N/A ALA 500.A N TRP 392.A O no hydrogen 3.041 N/A ARG 501.A N PRO 425.A O no hydrogen 2.724 N/A LYS 504.A N PRO 388.A O no hydrogen 3.486 N/A GLY 507.A N VAL 531.A O no hydrogen 2.705 N/A GLN 508.A NE2 PHE 587.A O no hydrogen 3.122 N/A THR 510.A N SER 527.A O no hydrogen 3.268 N/A ARG 511.A NH2 ARG 80.A O no hydrogen 3.517 N/A ARG 511.A NH2 GLU 81.A O no hydrogen 3.189 N/A ARG 513.A N VAL 525.A O no hydrogen 2.812 N/A LEU 515.A N VAL 523.A O no hydrogen 2.996 N/A LEU 517.A N GLN 521.A O no hydrogen 3.127 N/A THR 518.A N GLN 521.A O no hydrogen 3.332 N/A GLY 520.A N GLU 595.A OE2 no hydrogen 2.577 N/A LEU 522.A N PHE 562.A O no hydrogen 3.300 N/A VAL 523.A N LEU 515.A O no hydrogen 2.932 N/A LEU 524.A N PHE 560.A O no hydrogen 2.711 N/A VAL 525.A N ARG 513.A O no hydrogen 3.099 N/A TRP 526.A N ASN 558.A O no hydrogen 3.294 N/A VAL 531.A N ASP 528.A O no hydrogen 2.717 N/A LYS 534.A NZ ALA 352.A O no hydrogen 2.974 N/A LYS 534.A NZ ASP 355.A OD1 no hydrogen 3.186 N/A CYS 535.A SG.A SER 533.A OG no hydrogen 2.817 N/A LEU 536.A N LYS 534.A O no hydrogen 3.037 N/A TRP 537.A N LEU 578.A O no hydrogen 2.743 N/A THR 538.A N LEU 578.A O no hydrogen 3.297 N/A THR 538.A OG1 SER 555.A O no hydrogen 3.350 N/A GLU 540.A N ARG 576.A O no hydrogen 2.845 N/A GLN 542.A N ARG 574.A O no hydrogen 2.979 N/A GLN 542.A NE2 GLU 540.A OE1 no hydrogen 3.455 N/A PHE 543.A N THR 548.A O no hydrogen 3.050 N/A SER 544.A N SER 572.A O no hydrogen 2.860 N/A GLN 545.A NE2 SER 570.A O no hydrogen 3.499 N/A ASP 546.A N SER 544.A OG no hydrogen 3.158 N/A THR 548.A N PHE 543.A O no hydrogen 2.992 N/A VAL 550.A N ILE 541.A O no hydrogen 2.815 N/A ARG 552.A NE TYR 539.A O no hydrogen 3.300 N/A ARG 552.A NH2 TYR 539.A O no hydrogen 2.746 N/A LYS 553.A NZ ALA 464.A O no hydrogen 2.624 N/A SER 555.A N THR 538.A OG1 no hydrogen 3.299 N/A SER 555.A OG ASP 467.A OD1 no hydrogen 2.846 N/A SER 555.A OG ASP 467.A OD2 no hydrogen 3.084 N/A ASN 558.A N ALA 44.A O no hydrogen 3.118 N/A PHE 560.A N LEU 524.A O no hydrogen 2.814 N/A PHE 562.A N LEU 522.A O no hydrogen 2.855 N/A GLY 567.A N PRO 564.A O no hydrogen 3.204 N/A ALA 568.A N THR 566.A OG1 no hydrogen 3.158 N/A GLY 571.A N TYR 593.A O no hydrogen 2.829 N/A SER 572.A N SER 544.A O no hydrogen 3.058 N/A TYR 573.A N VAL 591.A O no hydrogen 2.818 N/A TYR 573.A OH VAL 569.A O no hydrogen 2.722 N/A ARG 574.A N GLN 542.A O no hydrogen 3.157 N/A ARG 574.A NE GLN 542.A OE1 no hydrogen 3.087 N/A ARG 574.A NH2 GLN 542.A OE1 no hydrogen 2.760 N/A VAL 575.A N SER 588.A OG no hydrogen 2.824 N/A ARG 576.A N GLU 540.A O no hydrogen 3.031 N/A ARG 576.A NE GLU 540.A OE2 no hydrogen 3.275 N/A ARG 576.A NH2 GLU 540.A OE1 no hydrogen 3.030 N/A ARG 576.A NH2 GLU 540.A OE2 no hydrogen 2.936 N/A LEU 578.A N THR 538.A O no hydrogen 2.951 N/A ASP 579.A N ARG 583.A O no hydrogen 3.384 N/A TYR 580.A N CYS 535.A O.B no hydrogen 3.131 N/A TYR 580.A OH HIS 497.A ND1 no hydrogen 2.960 N/A TRP 581.A N ASP 579.A OD1 no hydrogen 2.713 N/A TRP 581.A NE1 GLY 426.A O no hydrogen 3.003 N/A ARG 583.A N ASP 579.A OD1 no hydrogen 3.075 N/A ARG 583.A NH1 PRO 502.A O no hydrogen 3.505 N/A ARG 583.A NH1 LYS 504.A O no hydrogen 2.767 N/A ARG 583.A NH2 PRO 502.A O no hydrogen 3.344 N/A GLY 585.A N ALA 577.A O no hydrogen 2.988 N/A SER 588.A N VAL 575.A O no hydrogen 2.760 N/A SER 588.A OG VAL 575.A O no hydrogen 3.123 N/A VAL 591.A N TYR 573.A O no hydrogen 2.764 N/A TYR 593.A N GLY 571.A O no hydrogen 2.747 N/A GLU 595.A N SER 570.A OG no hydrogen 3.322 N/A