Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7hkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASN 1.A O no hydrogen 3.040 N/A GLY 6.A N LEU 2.A O no hydrogen 2.656 N/A LYS 7.A NZ GLU 159.A OE1 no hydrogen 2.790 N/A ARG 8.A NH1 CYS 161.A O no hydrogen 2.949 N/A ARG 8.A NH1 LEU 264.A O no hydrogen 2.932 N/A ARG 8.A NH2 ILE 4.A O no hydrogen 3.307 N/A ARG 8.A NH2 LEU 264.A O no hydrogen 2.732 N/A ILE 9.A N ILE 5.A O no hydrogen 3.112 N/A GLU 10.A N GLY 6.A O no hydrogen 2.419 N/A LYS 11.A N LYS 7.A O no hydrogen 2.874 N/A ILE 12.A N ARG 8.A O no hydrogen 3.263 N/A LYS 13.A N ILE 9.A O no hydrogen 3.062 N/A GLN 14.A N GLU 10.A O no hydrogen 3.456 N/A GLU 15.A N ILE 12.A O no hydrogen 3.136 N/A HIS 16.A N LYS 13.A O no hydrogen 3.045 N/A SER 19.A N HIS 16.A O no hydrogen 3.119 N/A HIS 21.A ND1 SER 19.A O no hydrogen 2.954 N/A ASP 25.A N ASP 23.A OD1 no hydrogen 2.609 N/A LYS 29.A N ASP 74.A OD1 no hydrogen 3.349 N/A LYS 29.A N ASP 74.A OD2 no hydrogen 3.365 N/A THR 30.A N ASP 74.A OD1 no hydrogen 2.825 N/A THR 30.A OG1 ASP 74.A OD1 no hydrogen 2.607 N/A THR 30.A OG1 THR 75.A O no hydrogen 3.398 N/A TRP 31.A NE1 VAL 73.A O no hydrogen 3.132 N/A ALA 32.A N SER 284.A O no hydrogen 2.981 N/A TYR 33.A OH SER 36.A OG no hydrogen 2.256 N/A HIS 34.A NE2 SER 284.A OG no hydrogen 2.861 N/A SER 36.A N HIS 21.A O no hydrogen 3.249 N/A SER 36.A OG TYR 33.A OH no hydrogen 2.256 N/A SER 36.A OG ASP 281.A OD1 no hydrogen 2.887 N/A THR 39.A N THR 278.A O no hydrogen 3.469 N/A MET 46.A N SER 431.A O.A no hydrogen 3.104 N/A MET 46.A N SER 431.A O.B no hydrogen 3.023 N/A MET 46.A N SER 431.A O.C no hydrogen 3.104 N/A MET 46.A N SER 431.A O.D no hydrogen 3.023 N/A ASN 48.A N ARG 429.A O no hydrogen 2.733 N/A ASN 48.A ND2 THR 441.A O no hydrogen 3.193 N/A VAL 51.A N ASN 48.A OD1 no hydrogen 3.159 N/A ARG 52.A N ASN 48.A O no hydrogen 2.987 N/A LEU 53.A N GLY 49.A O no hydrogen 2.900 N/A LEU 54.A N VAL 51.A O no hydrogen 3.102 N/A THR 55.A N ARG 52.A O no hydrogen 3.101 N/A THR 55.A OG1 VAL 51.A O no hydrogen 2.817 N/A THR 55.A OG1 ARG 52.A O no hydrogen 3.521 N/A TRP 58.A N THR 55.A O no hydrogen 3.070 N/A ASP 59.A N LYS 56.A O no hydrogen 2.852 N/A ILE 61.A N TRP 58.A O no hydrogen 3.186 N/A VAL 64.A N ILE 61.A O no hydrogen 2.892 N/A THR 65.A N ILE 61.A O no hydrogen 3.047 N/A THR 65.A OG1 ILE 61.A O no hydrogen 3.563 N/A GLN 66.A N PRO 62.A O no hydrogen 2.857 N/A MET 67.A N VAL 64.A O no hydrogen 3.294 N/A ALA 68.A N THR 65.A O no hydrogen 3.404 N/A MET 69.A N GLN 66.A O no hydrogen 3.134 N/A THR 75.A OG1 LYS 72.A O no hydrogen 2.939 N/A LYS 81.A N ASP 373.A OD2 no hydrogen 2.953 N/A GLY 83.A N GLN 323.A O no hydrogen 3.368 N/A THR 84.A N ILE 322.A O no hydrogen 3.216 N/A THR 84.A OG1 ASP 373.A OD2 no hydrogen 2.611 N/A LYS 85.A N LYS 81.A O no hydrogen 2.983 N/A LYS 85.A NZ GLU 79.A OE1 no hydrogen 3.216 N/A LYS 85.A NZ GLU 82.A OE2 no hydrogen 3.118 N/A LYS 86.A N GLU 82.A O no hydrogen 2.963 N/A LEU 87.A N GLY 83.A O no hydrogen 3.074 N/A MET 88.A N THR 84.A O no hydrogen 2.994 N/A LYS 89.A N LYS 85.A O no hydrogen 3.022 N/A LYS 89.A NZ GLU 238.A OE2 no hydrogen 3.389 N/A LYS 89.A NZ ASN 242.A OD1 no hydrogen 3.251 N/A ILE 90.A N LYS 86.A O no hydrogen 2.970 N/A THR 91.A N LEU 87.A O no hydrogen 2.989 N/A THR 91.A OG1 LEU 87.A O no hydrogen 2.659 N/A ALA 92.A N MET 88.A O no hydrogen 2.823 N/A GLU 93.A N LYS 89.A O no hydrogen 2.992 N/A TRP 94.A N ILE 90.A O no hydrogen 3.081 N/A LEU 95.A N THR 91.A O no hydrogen 2.847 N/A TRP 96.A N ALA 92.A O no hydrogen 3.038 N/A TRP 96.A NE1 ASN 242.A O no hydrogen 3.065 N/A LYS 97.A N GLU 93.A O no hydrogen 3.355 N/A GLU 98.A N TRP 94.A O no hydrogen 2.994 N/A LEU 99.A N LEU 95.A O no hydrogen 2.859 N/A GLY 100.A N TRP 96.A O no hydrogen 2.836 N/A LYS 101.A N GLU 98.A O no hydrogen 3.400 N/A LYS 101.A NZ GLU 98.A OE1 no hydrogen 2.988 N/A LYS 101.A NZ GLU 98.A OE2 no hydrogen 2.985 N/A LYS 103.A N GLY 100.A O no hydrogen 3.420 N/A LYS 103.A NZ ASP 188.A O no hydrogen 2.883 N/A ARG 106.A NE ASP 188.A OD2 no hydrogen 2.858 N/A ARG 106.A NH1 MET 107.A O no hydrogen 3.191 N/A ARG 106.A NH1 GLU 112.A OE1 no hydrogen 2.801 N/A ARG 106.A NH1 GLU 112.A OE2 no hydrogen 3.441 N/A ARG 106.A NH2 GLU 112.A OE2 no hydrogen 3.176 N/A ARG 106.A NH2 ASP 188.A OD1 no hydrogen 2.967 N/A CYS 108.A N GLU 180.A O no hydrogen 3.006 N/A THR 109.A N GLU 112.A OE1 no hydrogen 3.113 N/A ARG 110.A NH2 ASP 147.A OD1 no hydrogen 2.903 N/A GLU 111.A N.C GLU 111.A OE1.C no hydrogen 2.720 N/A GLU 111.A N.D GLU 111.A OE1.D no hydrogen 2.720 N/A GLU 112.A N THR 109.A OG1 no hydrogen 2.773 N/A PHE 113.A N THR 109.A O no hydrogen 2.862 N/A THR 114.A N ARG 110.A O no hydrogen 2.722 N/A THR 114.A OG1 ARG 110.A O no hydrogen 2.852 N/A ARG 115.A N GLU 111.A O.A no hydrogen 2.999 N/A ARG 115.A N GLU 111.A O.B no hydrogen 3.000 N/A ARG 115.A N GLU 111.A O.C no hydrogen 3.150 N/A ARG 115.A N GLU 111.A O.D no hydrogen 3.150 N/A ARG 115.A NE GLU 111.A OE1.A no hydrogen 2.986 N/A ARG 115.A NE GLU 111.A OE1.B no hydrogen 2.990 N/A ARG 115.A NH2 GLU 111.A OE2.A no hydrogen 3.125 N/A ARG 115.A NH2 GLU 111.A OE2.B no hydrogen 3.124 N/A LYS 116.A N GLU 112.A O no hydrogen 3.162 N/A LYS 116.A NZ GLU 187.A OE2 no hydrogen 2.734 N/A VAL 117.A N PHE 113.A O no hydrogen 3.084 N/A ARG 118.A N THR 114.A O no hydrogen 3.143 N/A SER 119.A N LYS 116.A O no hydrogen 3.077 N/A SER 119.A OG ARG 115.A O no hydrogen 3.282 N/A ASN 120.A N VAL 117.A O no hydrogen 3.392 N/A LYS 131.A N GLU 135.A OE1 no hydrogen 3.128 N/A ALA 136.A N SER 132.A O no hydrogen 3.377 N/A VAL 137.A N ALA 133.A O no hydrogen 3.028 N/A ASP 139.A N ALA 136.A O no hydrogen 3.227 N/A GLY 141.A N ASP 139.A OD1 no hydrogen 2.637 N/A TRP 143.A NE1 VAL 137.A O no hydrogen 2.915 N/A LEU 145.A N GLY 141.A O no hydrogen 3.154 N/A VAL 146.A N PHE 142.A O no hydrogen 2.911 N/A ASP 147.A N TRP 143.A O no hydrogen 2.718 N/A LYS 148.A N GLU 144.A O no hydrogen 2.954 N/A GLU 149.A N LEU 145.A O no hydrogen 3.027 N/A ARG 150.A N VAL 146.A O no hydrogen 2.842 N/A ARG 150.A NH2 GLU 253.A OE1 no hydrogen 3.068 N/A ASN 151.A N ASP 147.A O no hydrogen 2.988 N/A ASN 151.A ND2 ASP 147.A O no hydrogen 2.971 N/A LEU 152.A N LYS 148.A O no hydrogen 3.042 N/A HIS 153.A N GLU 149.A O no hydrogen 2.775 N/A LEU 154.A N ARG 150.A O no hydrogen 2.970 N/A GLU 155.A N ASN 151.A O no hydrogen 3.052 N/A GLY 156.A N HIS 153.A O no hydrogen 2.786 N/A LYS 157.A N LEU 152.A O no hydrogen 2.874 N/A CYS 158.A SG GLU 149.A OE1 no hydrogen 3.656 N/A CYS 158.A SG HIS 153.A NE2 no hydrogen 3.814 N/A GLU 159.A N GLU 149.A OE2 no hydrogen 2.702 N/A CYS 161.A SG GLU 149.A OE1 no hydrogen 2.583 N/A CYS 161.A SG HIS 153.A NE2 no hydrogen 3.543 N/A VAL 162.A N THR 160.A O no hydrogen 3.204 N/A TYR 163.A N VAL 270.A O no hydrogen 2.706 N/A ASN 164.A N TYR 169.A O no hydrogen 2.797 N/A MET 165.A N ARG 272.A O no hydrogen 3.016 N/A MET 170.A N GLY 124.A O no hydrogen 3.098 N/A ARG 175.A N TRP 171.A O no hydrogen 3.252 N/A ARG 175.A NE GLY 124.A O no hydrogen 3.438 N/A PHE 176.A N LEU 172.A O no hydrogen 2.899 N/A LEU 177.A N GLY 173.A O no hydrogen 3.165 N/A GLU 178.A N ALA 174.A O no hydrogen 3.056 N/A PHE 179.A N ARG 175.A O no hydrogen 2.963 N/A GLU 180.A N PHE 176.A O no hydrogen 2.730 N/A ALA 181.A N LEU 177.A O no hydrogen 3.276 N/A ALA 181.A N GLU 178.A O no hydrogen 3.264 N/A LEU 182.A N GLU 178.A O no hydrogen 2.965 N/A GLY 183.A N PHE 179.A O no hydrogen 2.828 N/A LEU 185.A N LEU 182.A O no hydrogen 3.198 N/A ASN 186.A N GLY 183.A O no hydrogen 3.039 N/A GLU 187.A N GLY 183.A O no hydrogen 2.778 N/A ASP 188.A N PHE 184.A O no hydrogen 2.928 N/A HIS 189.A N ASN 186.A O no hydrogen 3.111 N/A HIS 189.A ND1 GLU 201.A OE1 no hydrogen 2.932 N/A TRP 190.A N LEU 185.A O no hydrogen 2.977 N/A SER 192.A N HIS 189.A O no hydrogen 3.296 N/A SER 192.A OG HIS 189.A O no hydrogen 3.300 N/A ARG 193.A N GLU 203.A OE2 no hydrogen 3.054 N/A ARG 193.A NH1 GLY 199.A O no hydrogen 3.139 N/A ARG 193.A NH1 MET 348.A O no hydrogen 3.209 N/A ARG 193.A NH2 MET 348.A O no hydrogen 2.889 N/A ASN 195.A N SER 192.A OG no hydrogen 3.053 N/A ASN 195.A ND2 LEU 99.A O no hydrogen 3.085 N/A ASN 195.A ND2 TRP 190.A O no hydrogen 2.864 N/A SER 196.A N SER 192.A O no hydrogen 2.943 N/A SER 196.A OG SER 192.A O no hydrogen 2.737 N/A LEU 197.A N ARG 193.A O no hydrogen 2.876 N/A SER 198.A OG LEU 345.A O no hydrogen 2.655 N/A GLY 199.A N SER 196.A OG no hydrogen 2.976 N/A GLU 201.A N PHE 191.A O no hydrogen 3.049 N/A GLU 203.A N VAL 200.A O no hydrogen 2.988 N/A LYS 207.A N GLY 204.A O no hydrogen 2.899 N/A LEU 208.A N LEU 205.A O.B no hydrogen 3.271 N/A TYR 210.A OH VAL 413.A O no hydrogen 3.363 N/A ILE 211.A N LYS 207.A O no hydrogen 2.960 N/A LEU 212.A N LEU 208.A O no hydrogen 3.009 N/A ARG 213.A N GLY 209.A O no hydrogen 2.912 N/A ARG 213.A NH1 GLU 405.A OE1 no hydrogen 3.030 N/A ASP 214.A N TYR 210.A O no hydrogen 2.955 N/A VAL 215.A N ILE 211.A O no hydrogen 2.984 N/A SER 216.A N LEU 212.A O no hydrogen 2.958 N/A SER 216.A OG ARG 213.A O no hydrogen 2.583 N/A LYS 217.A N ARG 213.A O no hydrogen 3.247 N/A LYS 217.A N ASP 214.A O no hydrogen 3.167 N/A LYS 218.A N VAL 215.A O no hydrogen 3.120 N/A LYS 218.A NZ GLU 343.A OE2 no hydrogen 3.354 N/A LYS 218.A NZ SER 346.A OG no hydrogen 2.712 N/A GLY 221.A N PRO 359.A O no hydrogen 3.045 N/A ALA 222.A N ASP 362.A OD1 no hydrogen 2.774 N/A MET 223.A N TRP 390.A O no hydrogen 2.887 N/A TYR 224.A N VAL 357.A O no hydrogen 2.826 N/A TYR 224.A OH ASP 362.A OD1 no hydrogen 2.601 N/A ALA 229.A N VAL 377.A O no hydrogen 3.120 N/A TRP 231.A NE1 ASN 300.A OD1 no hydrogen 2.930 N/A THR 233.A N GLY 230.A O no hydrogen 2.953 N/A THR 233.A OG1 GLY 230.A O no hydrogen 2.720 N/A ARG 234.A N TRP 231.A O no hydrogen 3.001 N/A ARG 234.A NE ALA 229.A O no hydrogen 3.108 N/A THR 236.A N ASP 239.A OD2 no hydrogen 3.034 N/A ASP 239.A N THR 236.A OG1 no hydrogen 3.085 N/A LEU 240.A N THR 236.A O no hydrogen 3.073 N/A LYS 241.A N LEU 237.A O no hydrogen 3.073 N/A ASN 242.A N GLU 238.A O no hydrogen 2.968 N/A GLU 243.A N ASP 239.A O no hydrogen 2.942 N/A GLU 244.A N.A LEU 240.A O no hydrogen 3.110 N/A GLU 244.A N.B LEU 240.A O no hydrogen 3.101 N/A GLU 244.A N.C LEU 240.A O no hydrogen 3.110 N/A GLU 244.A N.D LEU 240.A O no hydrogen 3.101 N/A MET 245.A N ASN 242.A O no hydrogen 3.318 N/A VAL 246.A N GLU 243.A O no hydrogen 3.149 N/A THR 247.A N GLU 244.A O.A no hydrogen 2.930 N/A THR 247.A N GLU 244.A O.B no hydrogen 2.958 N/A THR 247.A N GLU 244.A O.C no hydrogen 2.930 N/A THR 247.A N GLU 244.A O.D no hydrogen 2.958 N/A THR 247.A OG1 GLU 244.A O.A no hydrogen 2.741 N/A THR 247.A OG1 GLU 244.A O.B no hydrogen 2.752 N/A THR 247.A OG1 GLU 244.A O.C no hydrogen 2.741 N/A THR 247.A OG1 GLU 244.A O.D no hydrogen 2.752 N/A THR 247.A OG1 GLU 244.A OE2.B no hydrogen 3.102 N/A THR 247.A OG1 GLU 244.A OE2.D no hydrogen 3.102 N/A ASN 248.A N MET 245.A O no hydrogen 3.116 N/A HIS 249.A N VAL 246.A O no hydrogen 3.098 N/A MET 250.A N THR 247.A O no hydrogen 3.026 N/A HIS 254.A NE2 ALA 181.A O no hydrogen 2.701 N/A LYS 255.A N GLU 251.A O no hydrogen 3.265 N/A LYS 255.A NZ THR 247.A O no hydrogen 3.497 N/A LEU 257.A N GLU 253.A O no hydrogen 2.798 N/A ALA 258.A N HIS 254.A O no hydrogen 2.857 N/A GLU 259.A N LYS 255.A O no hydrogen 2.943 N/A ALA 260.A N LYS 256.A O no hydrogen 3.103 N/A ILE 261.A N LEU 257.A O no hydrogen 3.186 N/A PHE 262.A N ALA 258.A O no hydrogen 3.174 N/A LYS 263.A N GLU 259.A O no hydrogen 2.930 N/A LEU 264.A N ALA 260.A O no hydrogen 2.853 N/A THR 265.A N ILE 261.A O no hydrogen 3.051 N/A THR 265.A OG1 ILE 261.A O no hydrogen 2.473 N/A TYR 266.A N ILE 261.A O no hydrogen 3.264 N/A TYR 266.A OH GLU 178.A OE1 no hydrogen 2.443 N/A GLN 267.A N PHE 262.A O no hydrogen 2.792 N/A GLN 267.A NE2 LEU 240.A O no hydrogen 3.292 N/A GLN 267.A NE2 GLU 244.A OE1.A no hydrogen 2.901 N/A GLN 267.A NE2 GLU 244.A OE1.C no hydrogen 2.901 N/A ASN 268.A ND2 LYS 263.A O no hydrogen 3.027 N/A LYS 269.A N ARG 285.A O no hydrogen 3.140 N/A LYS 269.A NZ TYR 266.A O no hydrogen 2.757 N/A LYS 269.A NZ ASP 287.A O no hydrogen 2.639 N/A LYS 269.A NZ GLN 288.A O no hydrogen 3.163 N/A VAL 271.A N ILE 283.A O no hydrogen 2.934 N/A ARG 272.A N TYR 163.A O no hydrogen 2.813 N/A VAL 273.A N ASP 281.A O no hydrogen 2.992 N/A ARG 275.A N VAL 279.A O no hydrogen 3.275 N/A ARG 275.A NE ASP 281.A OD2 no hydrogen 2.783 N/A ARG 275.A NH2 ASP 23.A OD2 no hydrogen 3.290 N/A ARG 275.A NH2 ASP 281.A OD1 no hydrogen 2.858 N/A VAL 279.A N ARG 275.A O no hydrogen 3.164 N/A MET 280.A N TYR 37.A O no hydrogen 2.844 N/A ASP 281.A N VAL 273.A O no hydrogen 2.855 N/A ILE 282.A N GLY 35.A O no hydrogen 3.079 N/A ILE 283.A N VAL 271.A O no hydrogen 3.043 N/A SER 284.A N ALA 32.A O no hydrogen 2.771 N/A SER 284.A OG HIS 34.A NE2 no hydrogen 2.861 N/A ARG 285.A NE ASP 287.A OD1 no hydrogen 2.601 N/A ARG 285.A NH1 THR 30.A OG1 no hydrogen 3.292 N/A ARG 285.A NH1 THR 75.A O no hydrogen 3.459 N/A ARG 285.A NH2 THR 75.A O no hydrogen 3.423 N/A ARG 285.A NH2 ASP 287.A OD1 no hydrogen 2.848 N/A ARG 286.A NE GLN 267.A O no hydrogen 2.980 N/A ARG 286.A NH2 GLN 267.A O no hydrogen 3.349 N/A GLN 288.A N ILE 235.A O no hydrogen 2.844 N/A GLN 288.A NE2 VAL 73.A O no hydrogen 3.091 N/A ARG 289.A N ASP 232.A O no hydrogen 2.929 N/A ARG 289.A NE ASN 300.A OD1 no hydrogen 3.064 N/A ARG 289.A NH1 GLU 243.A OE1 no hydrogen 2.659 N/A ARG 289.A NH1 GLU 243.A OE2 no hydrogen 3.562 N/A ARG 289.A NH2 GLU 243.A OE2 no hydrogen 2.821 N/A ARG 289.A NH2 ASN 300.A OD1 no hydrogen 3.002 N/A GLY 292.A N GLU 178.A OE1 no hydrogen 2.874 N/A GLY 292.A N GLU 178.A OE2 no hydrogen 3.133 N/A THR 296.A N GLY 292.A O no hydrogen 2.776 N/A THR 296.A OG1 GLY 292.A O no hydrogen 2.693 N/A TYR 297.A N GLN 293.A O no hydrogen 2.897 N/A TYR 297.A OH SER 351.A OG no hydrogen 2.700 N/A GLY 298.A N VAL 294.A O no hydrogen 3.277 N/A LEU 299.A N VAL 295.A O no hydrogen 3.018 N/A ASN 300.A N THR 296.A O no hydrogen 2.934 N/A ASN 300.A ND2 ASP 232.A OD1 no hydrogen 3.079 N/A THR 301.A N TYR 297.A O no hydrogen 2.972 N/A THR 301.A OG1 TYR 297.A O no hydrogen 2.834 N/A PHE 302.A N GLY 298.A O no hydrogen 2.944 N/A THR 303.A N LEU 299.A O no hydrogen 2.992 N/A THR 303.A OG1 GLU 243.A OE2 no hydrogen 2.460 N/A THR 303.A OG1 LEU 299.A O no hydrogen 3.236 N/A ASN 304.A N ASN 300.A O no hydrogen 2.827 N/A ASN 304.A ND2 GLY 352.A O no hydrogen 2.971 N/A MET 305.A N THR 301.A O no hydrogen 2.843 N/A GLU 306.A N PHE 302.A O no hydrogen 3.047 N/A ALA 307.A N THR 303.A O no hydrogen 2.900 N/A GLN 308.A N ASN 304.A O no hydrogen 2.967 N/A GLN 308.A NE2 ASN 304.A OD1 no hydrogen 3.105 N/A LEU 309.A N MET 305.A O no hydrogen 3.057 N/A ILE 310.A N GLU 306.A O no hydrogen 3.082 N/A ARG 311.A N ALA 307.A O no hydrogen 2.974 N/A ARG 311.A NE PHE 364.A O no hydrogen 3.252 N/A ARG 311.A NE ALA 367.A O no hydrogen 3.121 N/A ARG 311.A NH1 ASP 226.A OD2 no hydrogen 2.877 N/A ARG 311.A NH2 PHE 364.A O no hydrogen 3.041 N/A ARG 311.A NH2 SER 387.A OG no hydrogen 2.904 N/A GLN 312.A N GLN 308.A O no hydrogen 2.921 N/A GLN 312.A NE2 ARG 344.A O no hydrogen 3.149 N/A MET 313.A N LEU 309.A O no hydrogen 2.870 N/A GLU 314.A N ILE 310.A O no hydrogen 2.870 N/A GLY 315.A N ARG 311.A O no hydrogen 3.048 N/A GLU 316.A N GLN 312.A O no hydrogen 3.009 N/A GLY 317.A N GLU 314.A O no hydrogen 3.186 N/A VAL 318.A N MET 313.A O no hydrogen 3.024 N/A LYS 320.A N GLU 329.A OE1 no hydrogen 3.069 N/A GLN 323.A N SER 321.A OG no hydrogen 3.078 N/A THR 326.A N GLU 329.A OE2 no hydrogen 3.289 N/A THR 326.A OG1 THR 328.A OG1 no hydrogen 3.396 N/A THR 328.A OG1 THR 326.A OG1 no hydrogen 3.396 N/A GLU 329.A N THR 326.A O no hydrogen 3.239 N/A GLU 329.A N THR 326.A OG1 no hydrogen 3.226 N/A GLU 330.A N THR 326.A O no hydrogen 3.267 N/A ALA 332.A N THR 328.A O no hydrogen 3.102 N/A VAL 333.A N GLU 329.A O no hydrogen 2.761 N/A LYS 334.A N GLU 330.A O no hydrogen 2.976 N/A ASN 335.A N ILE 331.A O no hydrogen 2.893 N/A TRP 336.A N ALA 332.A O no hydrogen 2.794 N/A TRP 336.A NE1 GLU 316.A OE1 no hydrogen 2.988 N/A LEU 337.A N VAL 333.A O no hydrogen 3.078 N/A VAL 338.A N LYS 334.A O no hydrogen 3.027 N/A ARG 339.A N ASN 335.A O no hydrogen 3.024 N/A VAL 340.A N TRP 336.A O no hydrogen 2.731 N/A GLY 341.A N LEU 337.A O no hydrogen 2.767 N/A ARG 342.A NH1 GLU 98.A OE1 no hydrogen 2.846 N/A ARG 344.A N VAL 340.A O no hydrogen 2.987 N/A ARG 344.A NE GLU 316.A OE1 no hydrogen 3.447 N/A ARG 344.A NE GLU 316.A OE2 no hydrogen 2.724 N/A ARG 344.A NH1 GLU 343.A OE1 no hydrogen 2.840 N/A ARG 344.A NH2 GLU 316.A OE1 no hydrogen 2.830 N/A LEU 345.A N GLY 341.A O no hydrogen 2.952 N/A SER 346.A N ARG 342.A O no hydrogen 3.205 N/A SER 346.A OG GLU 343.A O no hydrogen 2.538 N/A ARG 347.A N ARG 344.A O no hydrogen 3.314 N/A ARG 347.A NE GLU 343.A OE1 no hydrogen 2.925 N/A ARG 347.A NE GLU 343.A OE2 no hydrogen 3.103 N/A ARG 347.A NH1 GLU 219.A O no hydrogen 2.966 N/A ARG 347.A NH1 LYS 358.A O no hydrogen 2.845 N/A ARG 347.A NH2 GLU 219.A O no hydrogen 2.888 N/A ARG 347.A NH2 GLU 343.A OE2 no hydrogen 3.221 N/A MET 348.A N LEU 345.A O no hydrogen 3.025 N/A ALA 349.A N VAL 356.A O no hydrogen 2.929 N/A ILE 350.A N SER 198.A O no hydrogen 2.867 N/A SER 351.A N ASP 354.A O no hydrogen 2.812 N/A SER 351.A OG TYR 297.A OH no hydrogen 2.700 N/A GLY 352.A N THR 301.A OG1 no hydrogen 2.927 N/A ASP 354.A N SER 351.A O no hydrogen 2.913 N/A CYS 355.A SG ASP 226.A O no hydrogen 3.954 N/A VAL 356.A N ALA 349.A O no hydrogen 2.897 N/A VAL 357.A N TYR 224.A O no hydrogen 2.821 N/A LYS 358.A N ARG 347.A O no hydrogen 2.884 N/A LYS 358.A NZ SER 216.A O no hydrogen 3.015 N/A LYS 358.A NZ LYS 218.A O no hydrogen 2.983 N/A ARG 363.A N ASP 361.A OD1 no hydrogen 3.097 N/A ARG 363.A NE ASP 361.A OD1 no hydrogen 2.854 N/A ARG 363.A NH2 ASP 361.A OD2 no hydrogen 2.829 N/A ALA 365.A N ASP 362.A O no hydrogen 3.054 N/A SER 366.A N ARG 363.A O no hydrogen 3.215 N/A SER 366.A OG ARG 363.A O no hydrogen 3.450 N/A ALA 367.A N PHE 364.A O no hydrogen 3.029 N/A THR 369.A N GLU 314.A OE1 no hydrogen 3.159 N/A THR 369.A OG1 GLU 314.A OE1 no hydrogen 2.511 N/A ALA 370.A N GLU 314.A OE2 no hydrogen 2.851 N/A ASN 372.A N LEU 368.A O no hydrogen 2.942 N/A ASN 372.A ND2 GLN 383.A O no hydrogen 2.893 N/A ASP 373.A N THR 369.A O no hydrogen 2.865 N/A MET 374.A N ALA 370.A O no hydrogen 2.675 N/A GLY 375.A N ASN 372.A O no hydrogen 2.833 N/A LYS 376.A N LEU 371.A O no hydrogen 3.096 N/A LYS 376.A NZ ARG 234.A O no hydrogen 2.820 N/A LYS 376.A NZ ASP 239.A OD2 no hydrogen 2.585 N/A LYS 376.A NZ MET 374.A O no hydrogen 3.192 N/A ARG 378.A NH1 GLU 385.A O no hydrogen 2.882 N/A ARG 378.A NH1 SER 387.A OG no hydrogen 2.957 N/A ARG 378.A NH2 GLN 383.A O no hydrogen 2.989 N/A ARG 378.A NH2 GLU 385.A O no hydrogen 2.788 N/A LYS 379.A N ASP 227.A O no hydrogen 2.852 N/A LYS 379.A NZ ASP 227.A OD2 no hydrogen 3.176 N/A GLU 385.A N GLN 382.A O no hydrogen 2.966 N/A SER 387.A N ALA 365.A O no hydrogen 2.906 N/A SER 387.A OG ASP 226.A OD2 no hydrogen 2.462 N/A TRP 390.A N MET 223.A O no hydrogen 2.691 N/A THR 394.A N ASP 392.A OD1 no hydrogen 3.008 N/A THR 394.A OG1 ASP 392.A OD1 no hydrogen 2.669 N/A THR 394.A OG1 ASP 392.A OD2 no hydrogen 2.977 N/A GLN 395.A N ASP 392.A O no hydrogen 2.867 N/A GLN 395.A NE2 THR 394.A OG1 no hydrogen 3.164 N/A VAL 396.A N TRP 393.A O no hydrogen 3.406 N/A PHE 398.A N HIS 401.A O no hydrogen 2.956 N/A CYS 399.A N ASP 354.A OD2 no hydrogen 2.772 N/A HIS 401.A N PHE 398.A O no hydrogen 3.018 N/A HIS 401.A ND1 CYS 399.A O no hydrogen 2.806 N/A HIS 401.A NE2 TYR 456.A OH no hydrogen 2.651 N/A HIS 402.A N CYS 418.A O no hydrogen 3.009 N/A HIS 404.A N VAL 416.A O no hydrogen 3.010 N/A LEU 406.A N LEU 414.A O no hydrogen 2.815 N/A MET 408.A N ARG 412.A O no hydrogen 2.829 N/A GLY 411.A N MET 408.A O no hydrogen 2.781 N/A ARG 412.A N ASP 410.A OD1 no hydrogen 3.256 N/A ARG 412.A NE ASP 410.A OD1 no hydrogen 3.391 N/A ARG 412.A NH1 ASP 509.A O no hydrogen 2.970 N/A ARG 412.A NH1 THR 511.A O no hydrogen 2.823 N/A ARG 412.A NH2 ASP 410.A OD2 no hydrogen 3.521 N/A ARG 412.A NH2 THR 511.A O no hydrogen 3.093 N/A LEU 414.A N LEU 406.A O no hydrogen 2.843 N/A VAL 415.A N TYR 210.A OH no hydrogen 3.345 N/A VAL 416.A N HIS 404.A O no hydrogen 2.900 N/A CYS 418.A N HIS 402.A O no hydrogen 2.922 N/A CYS 418.A SG HIS 402.A NE2 no hydrogen 3.547 N/A CYS 418.A SG HIS 404.A NE2 no hydrogen 3.536 N/A CYS 418.A SG ARG 419.A O no hydrogen 3.918 N/A ARG 419.A NE GLU 423.A OE2 no hydrogen 2.673 N/A ARG 419.A NH2 GLU 423.A OE2 no hydrogen 2.865 N/A GLN 421.A N CYS 530.A O no hydrogen 2.970 N/A GLN 421.A NE2 ASP 461.A OD2 no hydrogen 2.878 N/A ASP 422.A N ASN 420.A OD1 no hydrogen 2.975 N/A GLU 423.A N ASN 420.A O no hydrogen 3.025 N/A ILE 425.A N GLN 421.A O no hydrogen 2.974 N/A GLY 426.A N ASP 422.A O no hydrogen 2.946 N/A ARG 427.A N.A GLU 423.A O no hydrogen 3.141 N/A ARG 427.A N.B GLU 423.A O no hydrogen 3.156 N/A ARG 427.A N.C GLU 423.A O no hydrogen 3.141 N/A ARG 427.A N.D GLU 423.A O no hydrogen 3.156 N/A ALA 428.A N LEU 424.A O no hydrogen 3.137 N/A ARG 429.A N ILE 425.A O no hydrogen 3.187 N/A ARG 429.A NH1 THR 55.A OG1 no hydrogen 2.959 N/A ARG 429.A NH1 ASP 59.A OD1 no hydrogen 3.044 N/A ARG 429.A NH2 ASP 59.A OD1 no hydrogen 2.876 N/A ILE 430.A N ARG 427.A O.A no hydrogen 3.124 N/A ILE 430.A N ARG 427.A O.B no hydrogen 3.165 N/A ILE 430.A N ARG 427.A O.C no hydrogen 3.124 N/A ILE 430.A N ARG 427.A O.D no hydrogen 3.165 N/A SER 431.A N.A MET 46.A O no hydrogen 2.773 N/A SER 431.A N.B MET 46.A O no hydrogen 2.798 N/A SER 431.A N.C MET 46.A O no hydrogen 2.773 N/A SER 431.A N.D MET 46.A O no hydrogen 2.798 N/A SER 431.A OG.B MET 46.A O no hydrogen 3.504 N/A SER 431.A OG.D MET 46.A O no hydrogen 3.504 N/A TRP 436.A NE1 GLN 432.A O no hydrogen 2.782 N/A GLU 440.A N SER 437.A OG no hydrogen 2.965 N/A THR 441.A N SER 437.A O no hydrogen 3.016 N/A THR 441.A OG1 SER 437.A O no hydrogen 2.871 N/A ALA 442.A N LEU 438.A O no hydrogen 2.847 N/A CYS 443.A N ARG 439.A O no hydrogen 2.961 N/A CYS 443.A SG ARG 439.A O no hydrogen 3.382 N/A CYS 443.A SG VAL 478.A O no hydrogen 3.357 N/A LEU 444.A N GLU 440.A O no hydrogen 2.998 N/A GLY 445.A N THR 441.A O no hydrogen 3.005 N/A LYS 446.A N ALA 442.A O no hydrogen 2.913 N/A LYS 446.A NZ PRO 474.A O no hydrogen 3.556 N/A LYS 446.A NZ SER 475.A O.A no hydrogen 2.901 N/A LYS 446.A NZ SER 475.A O.B no hydrogen 2.941 N/A LYS 446.A NZ SER 475.A O.C no hydrogen 2.901 N/A LYS 446.A NZ SER 475.A O.D no hydrogen 2.941 N/A LYS 446.A NZ TRP 477.A O no hydrogen 2.679 N/A SER 447.A N CYS 443.A O no hydrogen 3.074 N/A SER 447.A OG CYS 443.A O no hydrogen 3.283 N/A SER 447.A OG THR 480.A O no hydrogen 2.667 N/A TYR 448.A N LEU 444.A O no hydrogen 3.200 N/A ALA 449.A N GLY 445.A O no hydrogen 2.931 N/A GLN 450.A N LYS 446.A O no hydrogen 2.891 N/A GLN 450.A NE2 TRP 486.A O no hydrogen 2.756 N/A GLN 450.A NE2 THR 488.A O no hydrogen 2.875 N/A MET 451.A N SER 447.A O no hydrogen 3.055 N/A TRP 452.A N TYR 448.A O no hydrogen 2.936 N/A SER 453.A N.A ALA 449.A O no hydrogen 2.998 N/A SER 453.A N.B ALA 449.A O no hydrogen 3.001 N/A SER 453.A N.C ALA 449.A O no hydrogen 2.998 N/A SER 453.A N.D ALA 449.A O no hydrogen 3.001 N/A SER 453.A OG.A ALA 449.A O no hydrogen 3.114 N/A SER 453.A OG.B GLN 450.A O no hydrogen 2.698 N/A SER 453.A OG.C ALA 449.A O no hydrogen 3.114 N/A SER 453.A OG.D GLN 450.A O no hydrogen 2.698 N/A LEU 454.A N GLN 450.A O no hydrogen 3.015 N/A MET 455.A N MET 451.A O no hydrogen 2.807 N/A TYR 456.A N TRP 452.A O no hydrogen 2.783 N/A TYR 456.A OH HIS 401.A NE2 no hydrogen 2.651 N/A HIS 458.A NE2 PRO 417.A O no hydrogen 2.945 N/A ARG 459.A N TYR 456.A O no hydrogen 3.036 N/A ARG 459.A NE ASP 527.A OD1 no hydrogen 2.823 N/A ARG 459.A NH1 ASP 527.A OD1 no hydrogen 3.113 N/A ARG 459.A NH1 CYS 530.A O no hydrogen 2.874 N/A ARG 459.A NH2 ARG 419.A O no hydrogen 3.235 N/A ARG 459.A NH2 CYS 530.A O no hydrogen 3.335 N/A ARG 460.A N ASP 527.A OD2 no hydrogen 2.951 N/A ARG 460.A NH1 LEU 522.A O no hydrogen 2.935 N/A ARG 460.A NH1 ASP 527.A OD2 no hydrogen 2.852 N/A ARG 460.A NH2 LEU 522.A O no hydrogen 3.156 N/A ARG 463.A N ARG 459.A O no hydrogen 3.049 N/A ARG 463.A NE PHE 457.A O no hydrogen 2.804 N/A ARG 463.A NH1 TRP 516.A O no hydrogen 3.100 N/A ARG 463.A NH1 ILE 519.A O no hydrogen 3.229 N/A ARG 463.A NH2 PHE 457.A O no hydrogen 3.015 N/A ARG 463.A NH2 ILE 519.A O no hydrogen 2.855 N/A LEU 464.A N ARG 460.A O no hydrogen 3.272 N/A ALA 465.A N ASP 461.A O no hydrogen 2.920 N/A ALA 466.A N LEU 462.A O no hydrogen 2.836 N/A ASN 467.A N ARG 463.A O no hydrogen 3.033 N/A ALA 468.A N LEU 464.A O no hydrogen 2.959 N/A ILE 469.A N ALA 465.A O no hydrogen 2.846 N/A CYS 470.A N ALA 466.A O no hydrogen 2.947 N/A CYS 470.A SG ALA 466.A O no hydrogen 3.433 N/A SER 471.A N ASN 467.A O no hydrogen 2.948 N/A SER 471.A N ALA 468.A O no hydrogen 3.144 N/A SER 471.A OG ASN 467.A O no hydrogen 2.849 N/A ALA 472.A N ILE 469.A O no hydrogen 3.010 N/A VAL 473.A N ILE 469.A O no hydrogen 3.052 N/A SER 475.A N.A GLU 561.A O no hydrogen 3.100 N/A SER 475.A N.B GLU 561.A O no hydrogen 3.074 N/A SER 475.A N.C GLU 561.A O no hydrogen 3.100 N/A SER 475.A N.D GLU 561.A O no hydrogen 3.074 N/A SER 475.A OG.B GLU 561.A O no hydrogen 3.309 N/A SER 475.A OG.B THR 563.A OG1 no hydrogen 2.714 N/A SER 475.A OG.D GLU 561.A O no hydrogen 3.309 N/A SER 475.A OG.D THR 563.A OG1 no hydrogen 2.714 N/A TRP 477.A N PRO 474.A O no hydrogen 3.109 N/A THR 480.A N CYS 443.A O no hydrogen 3.416 N/A SER 481.A OG THR 483.A O no hydrogen 3.411 N/A ARG 482.A NE GLU 440.A OE2 no hydrogen 3.106 N/A ARG 482.A NH1 ALA 434.A O no hydrogen 3.000 N/A ARG 482.A NH2 ALA 434.A O no hydrogen 3.253 N/A ARG 482.A NH2 GLU 440.A OE1 no hydrogen 2.768 N/A GLU 485.A N GLU 485.A OE2 no hydrogen 2.527 N/A MET 487.A N HIS 484.A O no hydrogen 3.124 N/A GLU 490.A N THR 488.A OG1 no hydrogen 2.956 N/A LEU 493.A N ASP 491.A OD1 no hydrogen 2.796 N/A VAL 495.A N ASP 491.A O no hydrogen 3.126 N/A TRP 496.A N MET 492.A O no hydrogen 2.807 N/A ASN 497.A N LEU 493.A O no hydrogen 3.079 N/A ASN 497.A ND2 LEU 493.A O no hydrogen 3.357 N/A ASN 497.A ND2 VAL 513.A O no hydrogen 2.851 N/A ARG 498.A N THR 494.A O no hydrogen 3.077 N/A ARG 498.A NH1 GLU 490.A OE2 no hydrogen 2.891 N/A ARG 498.A NH2 GLU 490.A OE1 no hydrogen 2.886 N/A ARG 498.A NH2 GLU 490.A OE2 no hydrogen 3.010 N/A VAL 499.A N VAL 495.A O no hydrogen 2.961 N/A TRP 500.A N TRP 496.A O no hydrogen 2.850 N/A TRP 500.A NE1 LEU 454.A O no hydrogen 2.853 N/A ILE 501.A N ASN 497.A O no hydrogen 3.076 N/A GLN 502.A N ASN 497.A O no hydrogen 3.006 N/A GLU 503.A N ARG 498.A O no hydrogen 2.902 N/A ASN 504.A N ILE 501.A O no hydrogen 3.380 N/A ASN 504.A ND2 TYR 210.A OH no hydrogen 3.155 N/A ASN 504.A ND2 TRP 500.A O no hydrogen 2.867 N/A TRP 506.A N ASN 504.A OD1 no hydrogen 3.004 N/A TRP 506.A NE1 ASP 214.A OD2 no hydrogen 2.967 N/A MET 507.A N ASN 504.A O no hydrogen 3.075 N/A LYS 510.A NZ ILE 501.A O no hydrogen 2.944 N/A LYS 510.A NZ GLN 502.A O no hydrogen 3.161 N/A LYS 510.A NZ MET 507.A O no hydrogen 2.876 N/A THR 511.A N ASP 509.A OD1 no hydrogen 2.860 N/A THR 511.A OG1 ASP 509.A OD1 no hydrogen 2.592 N/A VAL 513.A N ASN 497.A OD1 no hydrogen 2.769 N/A GLU 514.A N GLU 518.A OE2 no hydrogen 2.609 N/A GLU 517.A N SER 515.A OG no hydrogen 3.259 N/A GLU 518.A N SER 515.A O no hydrogen 3.200 N/A ILE 519.A N TRP 516.A O no hydrogen 2.900 N/A LEU 522.A N HIS 458.A O no hydrogen 3.013 N/A GLY 523.A N GLU 526.A OE1 no hydrogen 2.971 N/A ASP 527.A N GLY 523.A O no hydrogen 2.934 N/A GLN 528.A N LYS 524.A O no hydrogen 3.119 N/A GLN 528.A NE2 ILE 534.A O no hydrogen 3.161 N/A TRP 529.A N ARG 525.A O no hydrogen 2.899 N/A CYS 530.A N GLU 526.A O no hydrogen 3.080 N/A CYS 530.A SG HIS 402.A NE2 no hydrogen 3.437 N/A CYS 530.A SG HIS 404.A NE2 no hydrogen 3.672 N/A CYS 530.A SG GLU 526.A O no hydrogen 3.768 N/A GLY 531.A N GLN 528.A O no hydrogen 2.882 N/A SER 532.A N ASP 527.A O no hydrogen 2.921 N/A SER 532.A OG ASP 461.A OD1 no hydrogen 3.463 N/A SER 532.A OG ASP 461.A OD2 no hydrogen 3.300 N/A LEU 533.A N ASP 461.A OD2 no hydrogen 2.888 N/A ILE 534.A N SER 532.A OG no hydrogen 3.101 N/A LEU 536.A N LEU 533.A O no hydrogen 2.972 N/A ARG 539.A NE ASP 461.A OD1 no hydrogen 2.791 N/A ARG 539.A NH2 ASP 461.A OD1 no hydrogen 2.970 N/A ALA 540.A N LEU 536.A O no hydrogen 3.064 N/A THR 541.A N THR 537.A O no hydrogen 3.075 N/A THR 541.A OG1 THR 537.A O no hydrogen 3.106 N/A TRP 542.A N SER 538.A O no hydrogen 3.100 N/A TRP 542.A NE1 LEU 54.A O no hydrogen 2.993 N/A ALA 543.A N ARG 539.A O no hydrogen 2.943 N/A LYS 544.A N ALA 540.A O no hydrogen 2.973 N/A ASN 545.A N THR 541.A O no hydrogen 2.998 N/A ASN 545.A ND2 THR 541.A O no hydrogen 3.029 N/A ILE 546.A N ALA 543.A O no hydrogen 3.376 N/A GLN 547.A NE2.A ASP 564.A OD1 no hydrogen 3.133 N/A GLN 547.A NE2.B ASN 551.A OD1 no hydrogen 2.930 N/A GLN 547.A NE2.C ASP 564.A OD1 no hydrogen 3.133 N/A GLN 547.A NE2.D ASN 551.A OD1 no hydrogen 2.930 N/A THR 548.A N ASN 545.A O no hydrogen 3.031 N/A ILE 550.A N ILE 546.A O no hydrogen 2.873 N/A ASN 551.A N GLN 547.A O.A no hydrogen 2.927 N/A ASN 551.A N GLN 547.A O.B no hydrogen 2.946 N/A ASN 551.A N GLN 547.A O.C no hydrogen 2.927 N/A ASN 551.A N GLN 547.A O.D no hydrogen 2.946 N/A GLN 552.A N THR 548.A O no hydrogen 3.032 N/A VAL 553.A N ALA 549.A O no hydrogen 3.199 N/A ARG 554.A N ILE 550.A O no hydrogen 2.901 N/A ARG 554.A NE SER 471.A O no hydrogen 3.022 N/A ARG 554.A NH1 ASN 551.A OD1 no hydrogen 3.410 N/A ARG 554.A NH2 SER 471.A O no hydrogen 2.979 N/A ARG 554.A NH2 THR 563.A O no hydrogen 3.366 N/A SER 555.A N ASN 551.A O no hydrogen 2.915 N/A SER 555.A OG ASN 551.A O no hydrogen 2.913 N/A LEU 556.A N GLN 552.A O no hydrogen 3.168 N/A ILE 557.A N VAL 553.A O no hydrogen 2.971 N/A GLY 558.A N ARG 554.A O no hydrogen 2.847 N/A TYR 562.A OH GLY 558.A O no hydrogen 2.692 N/A THR 563.A OG1 SER 475.A OG.B no hydrogen 2.714 N/A THR 563.A OG1 SER 475.A OG.D no hydrogen 2.714 N/A TYR 565.A N SER 471.A OG no hydrogen 2.875 N/A MET 566.A N ASP 564.A OD1 no hydrogen 3.077 N/A SER 568.A N TYR 565.A O no hydrogen 3.189 N/A SER 568.A OG TYR 565.A O no hydrogen 2.859 N/A MET 569.A N MET 566.A O no hydrogen 2.888 N/A PHE 572.A N MET 569.A O no hydrogen 3.220 N/A ARG 573.A N LYS 570.A O no hydrogen 3.105 N/A ARG 573.A NE GLU 517.A OE1 no hydrogen 3.282 N/A ARG 573.A NE GLU 517.A OE2 no hydrogen 2.508 N/A ARG 573.A NH2 GLU 517.A OE1 no hydrogen 2.757 N/A