Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7e7e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLU 1.A O no hydrogen 3.370 N/A LEU 7.A N ALA 3.A O no hydrogen 3.274 N/A ASP 8.A N THR 5.A O no hydrogen 3.257 N/A PHE 10.A N PHE 6.A O no hydrogen 2.962 N/A ASN 11.A N LEU 7.A O no hydrogen 2.817 N/A ASN 11.A ND2 GLN 74.A OE1 no hydrogen 3.069 N/A HIS 12.A N ASP 8.A O no hydrogen 2.920 N/A GLU 13.A N LYS 9.A O no hydrogen 3.174 N/A ALA 14.A N PHE 10.A O no hydrogen 2.556 N/A GLU 15.A N ASN 11.A O no hydrogen 3.001 N/A LEU 17.A N GLU 13.A O no hydrogen 2.839 N/A PHE 18.A N ALA 14.A O no hydrogen 2.510 N/A TYR 19.A N GLU 15.A O no hydrogen 3.178 N/A TYR 19.A OH ASP 333.A OD2 no hydrogen 3.010 N/A GLN 20.A N ASP 16.A O no hydrogen 2.969 N/A SER 21.A N LEU 17.A O no hydrogen 2.757 N/A SER 22.A N PHE 18.A O no hydrogen 2.808 N/A SER 22.A OG PHE 18.A O no hydrogen 2.768 N/A LEU 23.A N TYR 19.A O no hydrogen 2.835 N/A ALA 24.A N GLN 20.A O no hydrogen 3.303 N/A SER 25.A N SER 21.A O no hydrogen 3.145 N/A SER 25.A OG SER 21.A O no hydrogen 3.312 N/A TRP 26.A N SER 22.A O no hydrogen 3.004 N/A ASN 27.A N LEU 23.A O no hydrogen 2.808 N/A TYR 28.A N ALA 24.A O no hydrogen 3.290 N/A TYR 28.A OH SER 102.A OG no hydrogen 3.115 N/A TYR 28.A OH THR 103.A OG1 no hydrogen 2.682 N/A ASN 29.A N SER 25.A O no hydrogen 3.131 N/A THR 30.A N TRP 26.A O no hydrogen 2.949 N/A THR 30.A OG1 TRP 26.A O no hydrogen 2.986 N/A ASN 31.A N ASN 27.A O no hydrogen 2.722 N/A ILE 32.A N LYS 319.A O no hydrogen 3.046 N/A GLU 35.A N THR 33.A OG1 no hydrogen 3.396 N/A ASN 36.A N THR 33.A O no hydrogen 3.025 N/A ASN 36.A ND2 ASN 31.A O no hydrogen 2.702 N/A VAL 37.A N THR 33.A O no hydrogen 2.999 N/A GLN 38.A NE2 GLU 34.A OE1 no hydrogen 3.149 N/A MET 40.A N ASN 36.A O no hydrogen 2.844 N/A ASN 41.A N VAL 37.A O no hydrogen 2.815 N/A ASN 42.A N GLN 38.A O no hydrogen 2.951 N/A ALA 43.A N ASN 39.A O no hydrogen 2.959 N/A GLY 44.A N MET 40.A O no hydrogen 3.093 N/A ASP 45.A N ASN 41.A O no hydrogen 2.811 N/A LYS 46.A N ASN 42.A O no hydrogen 2.966 N/A TRP 47.A N ALA 43.A O no hydrogen 2.974 N/A SER 48.A N GLY 44.A O no hydrogen 2.904 N/A SER 48.A OG GLY 44.A O no hydrogen 2.797 N/A ALA 49.A N ASP 45.A O no hydrogen 2.931 N/A PHE 50.A N LYS 46.A O no hydrogen 2.999 N/A LEU 51.A N TRP 47.A O no hydrogen 3.134 N/A LYS 52.A N SER 48.A O no hydrogen 3.044 N/A GLU 53.A N ALA 49.A O no hydrogen 2.862 N/A GLN 54.A N PHE 50.A O no hydrogen 2.718 N/A GLN 54.A NE2 GLU 53.A OE2 no hydrogen 2.920 N/A SER 55.A N LEU 51.A O no hydrogen 2.879 N/A SER 55.A OG LEU 51.A O no hydrogen 3.092 N/A SER 55.A OG LEU 78.A O no hydrogen 3.143 N/A THR 56.A N LYS 52.A O no hydrogen 3.203 N/A THR 56.A OG1 LYS 52.A O no hydrogen 2.678 N/A LEU 57.A N GLU 53.A O no hydrogen 3.018 N/A ALA 58.A N GLN 54.A O no hydrogen 2.862 N/A GLN 59.A N SER 55.A O no hydrogen 3.037 N/A MET 60.A N LEU 57.A O no hydrogen 2.878 N/A TYR 61.A N ALA 58.A O no hydrogen 2.960 N/A GLN 64.A NE2 GLU 65.A OE2 no hydrogen 3.187 N/A ASN 68.A N GLU 1.A OE2 no hydrogen 3.085 N/A THR 70.A N ASN 68.A OD1 no hydrogen 3.304 N/A THR 70.A OG1 ASN 68.A OD1 no hydrogen 3.216 N/A VAL 71.A N ASN 68.A O no hydrogen 2.916 N/A LEU 73.A N LEU 69.A O no hydrogen 2.907 N/A GLN 74.A N THR 70.A O no hydrogen 3.191 N/A GLN 74.A NE2 THR 70.A O no hydrogen 3.503 N/A LEU 75.A N VAL 71.A O no hydrogen 3.010 N/A GLN 76.A N LYS 72.A O no hydrogen 3.034 N/A ALA 77.A N LEU 73.A O no hydrogen 2.881 N/A LEU 78.A N GLN 74.A O no hydrogen 3.088 N/A GLN 79.A N LEU 75.A O no hydrogen 2.852 N/A GLN 80.A N GLN 76.A O no hydrogen 3.389 N/A SER 83.A N ASN 172.A OD1 no hydrogen 2.684 N/A LYS 90.A N SER 87.A OG no hydrogen 3.395 N/A LYS 90.A NZ GLU 167.A OE1 no hydrogen 3.133 N/A SER 91.A N SER 87.A O no hydrogen 2.921 N/A SER 91.A OG SER 87.A O no hydrogen 3.344 N/A LYS 92.A N GLU 88.A O no hydrogen 2.902 N/A ARG 93.A N ASP 89.A O no hydrogen 2.787 N/A ARG 93.A NE GLU 160.A OE1 no hydrogen 2.695 N/A ARG 93.A NH2 GLU 160.A OE1 no hydrogen 3.138 N/A ARG 93.A NH2 GLU 160.A OE2 no hydrogen 2.886 N/A LEU 94.A N LYS 90.A O no hydrogen 3.178 N/A ASN 95.A N SER 91.A O no hydrogen 2.976 N/A ASN 95.A ND2 ASP 45.A OD1 no hydrogen 3.456 N/A THR 96.A N LYS 92.A O no hydrogen 2.993 N/A THR 96.A OG1 LYS 92.A O no hydrogen 2.736 N/A ILE 97.A N ARG 93.A O no hydrogen 2.763 N/A LEU 98.A N LEU 94.A O no hydrogen 2.900 N/A ASN 99.A N ASN 95.A O no hydrogen 2.785 N/A ASN 99.A ND2 ASN 41.A OD1 no hydrogen 2.698 N/A THR 100.A N ILE 97.A O no hydrogen 2.950 N/A THR 100.A OG1 THR 96.A O no hydrogen 2.654 N/A MET 101.A N ILE 97.A O no hydrogen 2.693 N/A SER 102.A N LEU 98.A O no hydrogen 3.437 N/A SER 102.A OG TYR 28.A OH no hydrogen 3.115 N/A SER 102.A OG LEU 98.A O no hydrogen 2.529 N/A THR 103.A OG1 TYR 28.A OH no hydrogen 2.682 N/A THR 103.A OG1 ASN 99.A O no hydrogen 2.609 N/A ILE 104.A N THR 100.A O no hydrogen 2.639 N/A TYR 105.A N MET 101.A O no hydrogen 2.980 N/A SER 106.A N SER 102.A O no hydrogen 3.179 N/A SER 106.A OG SER 102.A O no hydrogen 3.112 N/A THR 107.A N THR 103.A O no hydrogen 2.655 N/A THR 107.A OG1 THR 103.A O no hydrogen 2.428 N/A VAL 110.A N LEU 120.A O no hydrogen 3.051 N/A CYS 111.A N GLU 149.A OE1 no hydrogen 3.117 N/A CYS 111.A SG PRO 116.A O no hydrogen 3.132 N/A ASN 112.A N GLU 118.A O no hydrogen 2.720 N/A ASP 114.A N ASN 112.A OD1 no hydrogen 3.235 N/A ASN 115.A N ASN 112.A O no hydrogen 2.916 N/A GLN 117.A N ASN 115.A OD1 no hydrogen 3.144 N/A GLU 118.A N ASN 115.A O no hydrogen 3.036 N/A CYS 119.A SG GLN 117.A O no hydrogen 3.721 N/A LEU 120.A N VAL 110.A O no hydrogen 2.893 N/A LEU 126.A N LEU 121.A O no hydrogen 2.648 N/A ASN 127.A N LEU 122.A O no hydrogen 2.964 N/A GLU 128.A N PRO 124.A O no hydrogen 2.851 N/A ILE 129.A N GLY 125.A O no hydrogen 3.329 N/A MET 130.A N LEU 126.A O no hydrogen 3.163 N/A ALA 131.A N ASN 127.A O no hydrogen 2.976 N/A ASN 132.A N GLU 128.A O no hydrogen 3.012 N/A ASN 132.A ND2 GLU 128.A OE2 no hydrogen 2.889 N/A SER 133.A N ILE 129.A O no hydrogen 2.977 N/A SER 133.A OG GLU 138.A OE1 no hydrogen 2.795 N/A ASP 135.A N SER 133.A OG no hydrogen 3.318 N/A GLU 138.A N ASP 135.A OD1 no hydrogen 2.969 N/A ARG 139.A N ASP 135.A O no hydrogen 2.728 N/A ARG 139.A NE HIS 243.A O no hydrogen 2.731 N/A ARG 139.A NH1 SER 133.A O no hydrogen 2.649 N/A ARG 139.A NH2 HIS 243.A O no hydrogen 2.740 N/A LEU 140.A N TYR 136.A O no hydrogen 2.859 N/A TRP 141.A N ASN 137.A O no hydrogen 3.138 N/A ALA 142.A N GLU 138.A O no hydrogen 2.993 N/A TRP 143.A N ARG 139.A O no hydrogen 3.024 N/A GLU 144.A N LEU 140.A O no hydrogen 3.189 N/A SER 145.A N TRP 141.A O no hydrogen 2.996 N/A SER 145.A OG TRP 141.A O no hydrogen 2.635 N/A TRP 146.A N ALA 142.A O no hydrogen 3.428 N/A TRP 146.A NE1 SER 477.A O no hydrogen 3.181 N/A ARG 147.A NH2 MET 248.A O no hydrogen 2.676 N/A SER 148.A N GLU 144.A O no hydrogen 2.677 N/A GLU 149.A N SER 145.A O no hydrogen 2.977 N/A VAL 150.A N TRP 146.A O no hydrogen 2.837 N/A GLY 151.A N TRP 146.A O no hydrogen 2.858 N/A GLN 153.A NE2 GLU 149.A O no hydrogen 2.880 N/A LEU 154.A N VAL 150.A O no hydrogen 3.289 N/A ARG 155.A N LYS 152.A O no hydrogen 3.110 N/A TYR 158.A N LEU 154.A O no hydrogen 3.126 N/A GLU 159.A N ARG 155.A O no hydrogen 2.809 N/A GLU 160.A N PRO 156.A O no hydrogen 3.146 N/A TYR 161.A N LEU 157.A O no hydrogen 2.687 N/A TYR 161.A OH ASP 484.A OD1 no hydrogen 2.275 N/A VAL 162.A N TYR 158.A O no hydrogen 2.823 N/A VAL 163.A N GLU 159.A O no hydrogen 3.427 N/A LEU 164.A N GLU 160.A O no hydrogen 3.073 N/A LYS 165.A N TYR 161.A O no hydrogen 2.919 N/A ASN 166.A N VAL 162.A O no hydrogen 3.167 N/A GLU 167.A N VAL 163.A O no hydrogen 3.321 N/A MET 168.A N LEU 164.A O no hydrogen 3.066 N/A ALA 169.A N LYS 165.A O no hydrogen 3.367 N/A ARG 170.A NH1 TYR 174.A O no hydrogen 3.508 N/A ALA 171.A N GLU 167.A O no hydrogen 3.181 N/A ASN 172.A N MET 168.A O no hydrogen 3.155 N/A HIS 173.A N ARG 170.A O no hydrogen 2.927 N/A TYR 174.A N ALA 169.A O no hydrogen 2.683 N/A GLU 175.A N ASP 179.A OD2 no hydrogen 2.958 N/A TYR 177.A N ASN 166.A OD1 no hydrogen 3.123 N/A TYR 177.A OH ASP 484.A OD1 no hydrogen 2.766 N/A ASP 179.A N ASP 176.A OD1 no hydrogen 2.591 N/A TYR 180.A N ASP 176.A O no hydrogen 2.942 N/A TRP 181.A N TYR 177.A O no hydrogen 3.343 N/A ARG 182.A N GLY 178.A O no hydrogen 2.796 N/A ARG 182.A NH2 ASP 176.A OD1 no hydrogen 3.531 N/A ARG 182.A NH2 ASP 176.A OD2 no hydrogen 3.259 N/A GLY 183.A N ASP 179.A O no hydrogen 2.814 N/A ASP 184.A N TRP 181.A O no hydrogen 3.127 N/A TYR 185.A N ARG 182.A O no hydrogen 3.425 N/A TYR 185.A OH GLU 376.A OE1 no hydrogen 3.269 N/A TYR 185.A OH THR 492.A OG1 no hydrogen 2.923 N/A GLU 186.A N GLY 183.A O no hydrogen 3.116 N/A VAL 187.A N TYR 195.A O no hydrogen 2.966 N/A ASN 188.A ND2 GLU 186.A OE2 no hydrogen 3.204 N/A GLY 192.A N ASP 191.A OD1 no hydrogen 2.495 N/A TYR 193.A OH GLU 546.A OE1 no hydrogen 2.725 N/A TYR 195.A N VAL 187.A O no hydrogen 3.073 N/A TYR 195.A OH ASP 203.A OD2 no hydrogen 2.675 N/A ARG 197.A NE ASP 179.A OD2 no hydrogen 2.979 N/A ARG 197.A NH1 GLU 186.A OE1 no hydrogen 3.034 N/A GLN 199.A N SER 196.A OG no hydrogen 2.973 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.780 N/A ILE 201.A N GLY 198.A O no hydrogen 3.068 N/A GLU 202.A N GLY 198.A O no hydrogen 3.474 N/A ASP 203.A N GLN 199.A O no hydrogen 2.934 N/A VAL 204.A N LEU 200.A O no hydrogen 2.993 N/A GLU 205.A N ILE 201.A O no hydrogen 2.931 N/A HIS 206.A N GLU 202.A O no hydrogen 3.034 N/A THR 207.A N ASP 203.A O no hydrogen 2.992 N/A THR 207.A OG1 ASP 203.A O no hydrogen 2.785 N/A THR 207.A OG1 VAL 204.A O no hydrogen 3.450 N/A THR 207.A OG1 TYR 491.A OH no hydrogen 2.710 N/A PHE 208.A N VAL 204.A O no hydrogen 2.982 N/A GLU 209.A N HIS 206.A O no hydrogen 3.389 N/A GLU 210.A N THR 207.A O no hydrogen 3.003 N/A ILE 211.A N PHE 208.A O no hydrogen 3.179 N/A LYS 212.A NZ GLU 209.A OE2 no hydrogen 2.781 N/A TYR 215.A N ILE 211.A O no hydrogen 2.860 N/A TYR 215.A OH VAL 460.A O no hydrogen 2.630 N/A GLU 216.A N LYS 212.A O no hydrogen 2.842 N/A HIS 217.A ND1 PRO 213.A O no hydrogen 2.815 N/A LEU 218.A N LEU 214.A O no hydrogen 3.118 N/A HIS 219.A N TYR 215.A O no hydrogen 2.629 N/A HIS 219.A NE2 GLY 461.A O no hydrogen 2.768 N/A ALA 220.A N GLU 216.A O no hydrogen 2.874 N/A TYR 221.A N HIS 217.A O no hydrogen 3.002 N/A TYR 221.A OH THR 260.A O no hydrogen 3.357 N/A VAL 222.A N LEU 218.A O no hydrogen 2.953 N/A ARG 223.A N HIS 219.A O no hydrogen 2.845 N/A ARG 223.A NH1 GLY 238.A O no hydrogen 2.821 N/A ARG 223.A NH1 GLY 580.A O no hydrogen 2.817 N/A ARG 223.A NH2 PHE 578.A O no hydrogen 2.349 N/A ARG 223.A NH2 VAL 579.A O no hydrogen 3.265 N/A ARG 223.A NH2 GLY 580.A O no hydrogen 2.736 N/A ALA 224.A N ALA 220.A O no hydrogen 2.888 N/A LYS 225.A N TYR 221.A O no hydrogen 3.017 N/A LEU 226.A N VAL 222.A O no hydrogen 2.718 N/A MET 227.A N ARG 223.A O no hydrogen 3.055 N/A ALA 229.A N LEU 226.A O no hydrogen 2.878 N/A TYR 230.A N LEU 226.A O no hydrogen 2.747 N/A TYR 233.A N TYR 230.A O no hydrogen 3.325 N/A ILE 237.A N SER 235.A OG no hydrogen 3.064 N/A GLY 238.A N SER 235.A OG no hydrogen 3.153 N/A CYS 239.A SG ARG 457.A O no hydrogen 3.172 N/A CYS 239.A SG SER 582.A O no hydrogen 3.390 N/A LEU 240.A N GLY 461.A O no hydrogen 3.011 N/A ALA 242.A N VAL 463.A O no hydrogen 3.181 N/A LEU 244.A N PRO 241.A O no hydrogen 3.319 N/A LEU 245.A N ALA 242.A O no hydrogen 3.295 N/A TRP 249.A N ASP 247.A OD1 no hydrogen 2.941 N/A TRP 249.A NE1 SER 477.A O no hydrogen 2.617 N/A GLY 250.A N ASP 247.A O no hydrogen 3.349 N/A ARG 251.A N ASP 247.A OD1 no hydrogen 2.947 N/A PHE 252.A N ASP 247.A OD2 no hydrogen 2.709 N/A TRP 253.A N LEU 419.A O no hydrogen 3.171 N/A THR 254.A OG1 THR 420.A OG1 no hydrogen 2.313 N/A ASN 255.A ND2 GLY 246.A O no hydrogen 2.683 N/A LEU 256.A N TRP 253.A O no hydrogen 3.103 N/A TYR 257.A N THR 254.A O no hydrogen 2.938 N/A TYR 257.A OH ASN 412.A O no hydrogen 2.742 N/A LEU 259.A N LEU 256.A O no hydrogen 2.844 N/A THR 260.A N TYR 257.A O no hydrogen 3.008 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.702 N/A PHE 263.A N ASN 412.A OD1 no hydrogen 3.210 N/A LYS 266.A N PHE 263.A O no hydrogen 3.286 N/A LYS 266.A NZ ASP 406.A OD2 no hydrogen 2.754 N/A ASN 268.A ND2 ASP 273.A OD2 no hydrogen 3.412 N/A ASP 270.A N ASN 268.A OD1 no hydrogen 3.086 N/A THR 272.A N ASP 270.A OD1 no hydrogen 3.103 N/A THR 272.A OG1 ASP 270.A OD1 no hydrogen 2.823 N/A THR 272.A OG1 THR 343.A OG1 no hydrogen 2.819 N/A MET 275.A N VAL 271.A O no hydrogen 2.835 N/A VAL 276.A N THR 272.A O no hydrogen 3.111 N/A ASP 277.A N ASP 273.A O no hydrogen 3.055 N/A GLN 278.A N ALA 274.A O no hydrogen 2.736 N/A GLN 278.A NE2 GLY 400.A O no hydrogen 2.536 N/A ALA 279.A N VAL 276.A O no hydrogen 3.072 N/A TRP 280.A N MET 275.A O no hydrogen 2.972 N/A TRP 280.A NE1 GLN 278.A OE1 no hydrogen 2.676 N/A ALA 282.A N ASP 281.A OD1 no hydrogen 2.611 N/A ILE 285.A N ASP 281.A O no hydrogen 3.430 N/A LYS 287.A N GLN 283.A O no hydrogen 2.574 N/A GLU 288.A N ARG 284.A O no hydrogen 2.843 N/A ALA 289.A N PHE 286.A O no hydrogen 3.011 N/A GLU 290.A N PHE 286.A O no hydrogen 2.619 N/A LYS 291.A N LYS 287.A O no hydrogen 2.960 N/A LYS 291.A NZ GLU 288.A OE2 no hydrogen 3.021 N/A PHE 292.A N ALA 289.A O no hydrogen 3.147 N/A PHE 293.A N ALA 289.A O no hydrogen 3.420 N/A VAL 294.A N GLU 290.A O no hydrogen 3.170 N/A SER 295.A N LYS 291.A O no hydrogen 2.911 N/A SER 295.A OG PHE 292.A O no hydrogen 2.601 N/A SER 295.A OG SER 520.A OG no hydrogen 3.356 N/A VAL 296.A N PHE 292.A O no hydrogen 3.015 N/A VAL 296.A N PHE 293.A O no hydrogen 2.997 N/A GLY 297.A N PHE 293.A O no hydrogen 3.094 N/A GLY 297.A N VAL 294.A O no hydrogen 2.977 N/A LEU 298.A N PHE 293.A O no hydrogen 2.939 N/A MET 301.A N GLU 290.A OE2 no hydrogen 2.736 N/A PHE 305.A N THR 302.A OG1 no hydrogen 2.995 N/A TRP 306.A N THR 302.A O no hydrogen 3.287 N/A GLU 307.A N GLY 304.A O no hydrogen 3.202 N/A ASN 308.A N PHE 305.A O no hydrogen 3.421 N/A ASN 308.A ND2 ASP 333.A OD1 no hydrogen 3.542 N/A SER 309.A N PHE 305.A O no hydrogen 3.098 N/A SER 309.A OG PHE 305.A O no hydrogen 3.097 N/A THR 312.A OG1 ASP 313.A O no hydrogen 3.316 N/A GLN 318.A N GLY 315.A O no hydrogen 2.846 N/A GLN 318.A NE2 THR 30.A O no hydrogen 2.503 N/A VAL 321.A N ASN 29.A O no hydrogen 3.123 N/A CYS 322.A SG ASP 313.A OD1 no hydrogen 3.539 N/A CYS 322.A SG ALA 320.A O no hydrogen 3.612 N/A HIS 323.A ND1 PRO 324.A O no hydrogen 3.001 N/A THR 325.A OG1 HIS 323.A O no hydrogen 2.797 N/A TRP 327.A N ARG 335.A O no hydrogen 2.755 N/A LEU 329.A N ASP 333.A O no hydrogen 3.160 N/A GLY 330.A N ASP 328.A OD1 no hydrogen 2.753 N/A LYS 331.A NZ ASP 16.A OD1 no hydrogen 2.582 N/A ASP 333.A N GLY 330.A O no hydrogen 3.339 N/A ARG 335.A N TRP 327.A O no hydrogen 3.427 N/A ARG 335.A NE ASP 333.A OD1 no hydrogen 3.306 N/A ARG 335.A NE ASP 333.A OD2 no hydrogen 3.161 N/A ARG 335.A NH2 ASP 333.A OD2 no hydrogen 2.824 N/A ILE 336.A N SER 309.A OG no hydrogen 2.948 N/A LEU 337.A N THR 325.A O no hydrogen 2.734 N/A CYS 339.A SG THR 312.A O no hydrogen 3.686 N/A THR 340.A N LEU 311.A O no hydrogen 2.627 N/A THR 340.A OG1 LEU 311.A O no hydrogen 2.783 N/A LYS 341.A N ASP 346.A OD2 no hydrogen 2.571 N/A LYS 341.A NZ GLU 123.A OE1 no hydrogen 2.923 N/A LYS 341.A NZ CYS 339.A O no hydrogen 3.216 N/A THR 343.A OG1 THR 272.A OG1 no hydrogen 2.819 N/A MET 344.A N THR 272.A OG1 no hydrogen 2.976 N/A ASP 345.A N THR 343.A OG1 no hydrogen 3.214 N/A PHE 347.A N THR 343.A O no hydrogen 2.849 N/A LEU 348.A N MET 344.A O no hydrogen 3.002 N/A THR 349.A N ASP 345.A O no hydrogen 2.981 N/A THR 349.A OG1 ASP 345.A O no hydrogen 2.569 N/A ALA 350.A N ASP 346.A O no hydrogen 2.719 N/A ALA 350.A N PHE 347.A O no hydrogen 3.083 N/A HIS 351.A N PHE 347.A O no hydrogen 3.427 N/A HIS 351.A ND1 PHE 347.A O no hydrogen 3.299 N/A HIS 352.A ND1 GLU 384.A OE2 no hydrogen 2.785 N/A GLU 353.A N THR 349.A O no hydrogen 2.846 N/A MET 354.A N ALA 350.A O no hydrogen 2.888 N/A GLY 355.A N HIS 351.A O no hydrogen 3.014 N/A HIS 356.A N HIS 352.A O no hydrogen 3.212 N/A ILE 357.A N GLU 353.A O no hydrogen 3.430 N/A GLN 358.A N MET 354.A O no hydrogen 3.042 N/A GLN 358.A NE2 PRO 299.A O no hydrogen 2.962 N/A TYR 359.A N GLY 355.A O no hydrogen 3.173 N/A ASP 360.A N HIS 356.A O no hydrogen 2.973 N/A MET 361.A N ILE 357.A O no hydrogen 2.607 N/A ALA 362.A N GLN 358.A O no hydrogen 3.065 N/A TYR 363.A N TYR 359.A O no hydrogen 3.104 N/A GLN 366.A N TYR 363.A O no hydrogen 3.143 N/A LEU 370.A N PRO 367.A O no hydrogen 3.018 N/A ARG 371.A N PHE 368.A O no hydrogen 3.015 N/A ARG 371.A NE GLN 366.A O no hydrogen 2.609 N/A ARG 371.A NH2 GLN 366.A O no hydrogen 3.250 N/A ALA 374.A N TYR 359.A OH no hydrogen 2.970 N/A ASN 375.A ND2 TYR 496.A OH no hydrogen 3.273 N/A GLU 376.A N ASP 184.A OD2 no hydrogen 2.635 N/A PHE 378.A N ASN 375.A OD1 no hydrogen 2.728 N/A HIS 379.A N ASN 375.A O no hydrogen 3.161 N/A HIS 379.A NE2 ASP 360.A OD1 no hydrogen 3.022 N/A GLU 380.A N GLU 376.A O no hydrogen 3.189 N/A ALA 381.A N GLY 377.A O no hydrogen 2.642 N/A VAL 382.A N PHE 378.A O no hydrogen 3.228 N/A GLY 383.A N GLU 380.A O no hydrogen 3.242 N/A GLU 384.A N GLU 380.A O no hydrogen 3.350 N/A ILE 385.A N ALA 381.A O no hydrogen 2.888 N/A MET 386.A N GLY 383.A O no hydrogen 3.232 N/A SER 387.A N GLY 383.A O no hydrogen 3.072 N/A SER 387.A OG GLU 384.A O no hydrogen 3.229 N/A LEU 388.A N GLU 384.A O no hydrogen 2.849 N/A SER 389.A N ILE 385.A O no hydrogen 3.292 N/A SER 389.A OG ILE 385.A O no hydrogen 3.165 N/A ALA 390.A N MET 386.A O no hydrogen 2.749 N/A THR 392.A N SER 389.A O no hydrogen 3.468 N/A THR 392.A OG1 SER 389.A O no hydrogen 3.295 N/A LYS 394.A NZ ASP 518.A OD1 no hydrogen 2.677 N/A HIS 395.A N THR 392.A OG1 no hydrogen 3.153 N/A HIS 395.A ND1 ALA 390.A O no hydrogen 2.980 N/A LEU 396.A N THR 392.A O no hydrogen 2.922 N/A LYS 397.A N PRO 393.A O no hydrogen 3.116 N/A SER 398.A N LYS 394.A O no hydrogen 3.183 N/A SER 398.A OG LYS 394.A O no hydrogen 3.555 N/A ILE 399.A N HIS 395.A O no hydrogen 3.056 N/A GLY 400.A N LEU 396.A O no hydrogen 3.466 N/A LEU 401.A N LEU 396.A O no hydrogen 3.323 N/A LEU 402.A N LEU 396.A O no hydrogen 3.411 N/A GLU 410.A N ASP 406.A O no hydrogen 2.736 N/A ILE 411.A N ASN 407.A O no hydrogen 3.196 N/A ASN 412.A N GLU 408.A O no hydrogen 2.914 N/A PHE 413.A N THR 409.A O no hydrogen 2.808 N/A LEU 414.A N GLU 410.A O no hydrogen 2.830 N/A LEU 415.A N ILE 411.A O no hydrogen 2.909 N/A LYS 416.A NZ ASP 270.A OD2 no hydrogen 2.981 N/A GLN 417.A N PHE 413.A O no hydrogen 3.248 N/A ALA 418.A N LEU 414.A O no hydrogen 3.134 N/A LEU 419.A N LEU 415.A O no hydrogen 2.793 N/A THR 420.A N LYS 416.A O no hydrogen 3.191 N/A THR 420.A OG1 THR 254.A OG1 no hydrogen 2.313 N/A THR 420.A OG1 LYS 416.A O no hydrogen 3.200 N/A ILE 421.A N GLN 417.A O no hydrogen 2.686 N/A GLY 423.A N ALA 418.A O no hydrogen 3.204 N/A THR 424.A N ILE 421.A O no hydrogen 3.111 N/A THR 424.A OG1 ILE 421.A O no hydrogen 2.725 N/A LEU 425.A N VAL 422.A O no hydrogen 3.153 N/A THR 428.A N THR 424.A O no hydrogen 2.770 N/A THR 428.A OG1 THR 424.A O no hydrogen 2.744 N/A TYR 429.A N LEU 425.A O no hydrogen 3.066 N/A MET 430.A N PRO 426.A O no hydrogen 2.957 N/A LEU 431.A N PHE 427.A O no hydrogen 3.099 N/A GLU 432.A N THR 428.A O no hydrogen 3.339 N/A LYS 433.A N TYR 429.A O no hydrogen 3.295 N/A LYS 433.A NZ GLU 205.A OE2 no hydrogen 3.423 N/A TRP 434.A N MET 430.A O no hydrogen 3.005 N/A ARG 435.A N LEU 431.A O no hydrogen 3.031 N/A ARG 435.A NE TYR 158.A OH no hydrogen 2.994 N/A ARG 435.A NH1 GLU 432.A OE2 no hydrogen 2.917 N/A ARG 435.A NH1 TYR 485.A O no hydrogen 2.917 N/A TRP 436.A N GLU 432.A O no hydrogen 2.693 N/A MET 437.A N LYS 433.A O no hydrogen 3.054 N/A VAL 438.A N TRP 434.A O no hydrogen 2.956 N/A PHE 439.A N ARG 435.A O no hydrogen 2.869 N/A LYS 440.A N TRP 436.A O no hydrogen 2.766 N/A GLY 441.A N VAL 438.A O no hydrogen 3.132 N/A GLU 442.A N MET 437.A O no hydrogen 2.856 N/A ILE 443.A N MET 437.A O no hydrogen 3.171 N/A LYS 445.A NZ GLU 159.A OE2 no hydrogen 2.617 N/A GLN 447.A N PRO 444.A O no hydrogen 2.901 N/A MET 449.A N GLU 470.A OE1 no hydrogen 2.743 N/A LYS 450.A N GLU 470.A OE2 no hydrogen 2.939 N/A LYS 450.A NZ GLN 447.A OE1 no hydrogen 2.998 N/A LYS 451.A N GLN 447.A O no hydrogen 2.925 N/A LYS 451.A NZ GLU 454.A OE1 no hydrogen 3.043 N/A TRP 452.A N TRP 448.A O no hydrogen 3.050 N/A TRP 453.A N MET 449.A O no hydrogen 3.039 N/A GLU 454.A N LYS 450.A O no hydrogen 2.971 N/A MET 455.A N LYS 451.A O no hydrogen 3.150 N/A LYS 456.A N TRP 452.A O no hydrogen 3.005 N/A LYS 456.A NZ GLU 464.A OE2 no hydrogen 3.103 N/A LYS 456.A NZ ASP 474.A OD2 no hydrogen 3.567 N/A ARG 457.A N TRP 453.A O no hydrogen 3.078 N/A ARG 457.A NE TRP 453.A O no hydrogen 3.301 N/A GLU 458.A N GLU 454.A O no hydrogen 3.100 N/A ILE 459.A N MET 455.A O no hydrogen 2.991 N/A VAL 460.A N MET 455.A O no hydrogen 3.376 N/A GLY 461.A N LYS 456.A O no hydrogen 2.758 N/A VAL 462.A N LYS 456.A O no hydrogen 2.778 N/A VAL 463.A N LEU 240.A O no hydrogen 2.827 N/A HIS 468.A N GLU 464.A OE1 no hydrogen 2.973 N/A HIS 468.A NE2 GLU 144.A OE2 no hydrogen 2.717 N/A THR 471.A N ASP 469.A OD2 no hydrogen 2.883 N/A THR 471.A OG1 ASP 469.A OD2 no hydrogen 2.765 N/A TYR 472.A N ASP 469.A O no hydrogen 3.279 N/A CYS 473.A N GLY 151.A O no hydrogen 3.294 N/A SER 477.A N ASP 474.A O no hydrogen 3.140 N/A SER 477.A OG ASP 474.A O no hydrogen 2.534 N/A LEU 478.A N PRO 475.A O no hydrogen 3.084 N/A SER 482.A N LEU 478.A O no hydrogen 2.839 N/A SER 482.A OG LEU 478.A O no hydrogen 3.022 N/A SER 482.A OG PHE 479.A O no hydrogen 2.983 N/A SER 482.A OG ASN 483.A OD1 no hydrogen 3.373 N/A ASN 483.A N PHE 479.A O no hydrogen 2.827 N/A SER 486.A OG GLU 376.A OE2 no hydrogen 2.892 N/A PHE 487.A N GLU 432.A OE2 no hydrogen 2.953 N/A ARG 489.A NE SER 486.A OG no hydrogen 3.069 N/A ARG 489.A NH2 SER 486.A OG no hydrogen 2.900 N/A TYR 490.A N PHE 487.A O no hydrogen 2.903 N/A TYR 490.A OH HIS 480.A NE2 no hydrogen 2.657 N/A TYR 491.A N ILE 488.A O no hydrogen 3.150 N/A TYR 491.A OH THR 207.A OG1 no hydrogen 2.710 N/A THR 492.A N ILE 488.A O no hydrogen 3.291 N/A THR 492.A OG1 TYR 185.A OH no hydrogen 2.923 N/A THR 492.A OG1 ARG 489.A O no hydrogen 2.764 N/A ARG 493.A N ARG 489.A O no hydrogen 2.699 N/A THR 494.A N TYR 490.A O no hydrogen 3.315 N/A THR 494.A OG1 TYR 490.A O no hydrogen 3.109 N/A TYR 496.A N THR 492.A O no hydrogen 2.893 N/A GLN 497.A N ARG 493.A O no hydrogen 2.564 N/A GLN 499.A N LEU 495.A O no hydrogen 3.315 N/A GLN 499.A NE2 ASN 553.A O no hydrogen 2.830 N/A PHE 500.A N TYR 496.A O no hydrogen 3.021 N/A GLN 501.A N GLN 497.A O no hydrogen 3.352 N/A GLN 501.A NE2 SER 389.A OG no hydrogen 3.039 N/A GLU 502.A N PHE 498.A O no hydrogen 3.169 N/A ALA 503.A N GLN 499.A O no hydrogen 3.208 N/A LEU 504.A N PHE 500.A O no hydrogen 2.797 N/A CYS 505.A N GLN 501.A O no hydrogen 2.875 N/A CYS 505.A SG GLN 501.A O no hydrogen 2.989 N/A GLN 506.A N ALA 503.A O no hydrogen 3.180 N/A GLN 506.A NE2 GLU 502.A O no hydrogen 3.387 N/A ALA 507.A N ALA 503.A O no hydrogen 3.348 N/A ALA 508.A N LEU 504.A O no hydrogen 2.850 N/A LYS 509.A N GLN 506.A O no hydrogen 3.161 N/A HIS 510.A N CYS 505.A O no hydrogen 2.998 N/A HIS 510.A NE2 PRO 513.A O no hydrogen 2.687 N/A HIS 515.A NE2 GLU 410.A O no hydrogen 2.987 N/A LYS 516.A N PRO 513.A O no hydrogen 3.154 N/A LYS 516.A NZ GLU 410.A OE2 no hydrogen 2.823 N/A CYS 517.A N LEU 514.A O no hydrogen 3.240 N/A SER 520.A OG SER 295.A OG no hydrogen 3.356 N/A SER 522.A N SER 295.A O no hydrogen 3.201 N/A SER 522.A OG GLU 524.A OE1 no hydrogen 3.233 N/A GLU 524.A N GLU 524.A OE1 no hydrogen 2.727 N/A ALA 525.A N SER 522.A OG no hydrogen 3.394 N/A GLY 526.A N SER 522.A O no hydrogen 3.290 N/A GLN 527.A N THR 523.A O no hydrogen 2.744 N/A GLN 527.A NE2 ASN 531.A OD1 no hydrogen 2.988 N/A LYS 528.A N GLU 524.A O no hydrogen 3.104 N/A LYS 528.A NZ VAL 548.A O no hydrogen 2.813 N/A LEU 529.A N ALA 525.A O no hydrogen 3.087 N/A PHE 530.A N GLY 526.A O no hydrogen 2.841 N/A ASN 531.A N GLN 527.A O no hydrogen 3.019 N/A LEU 533.A N LEU 529.A O no hydrogen 2.591 N/A ARG 534.A N PHE 530.A O no hydrogen 3.390 N/A LEU 535.A N MET 532.A O no hydrogen 2.937 N/A LYS 537.A N LEU 370.A O no hydrogen 2.941 N/A LYS 537.A NZ ALA 374.A O no hydrogen 2.785 N/A SER 538.A N LEU 535.A O no hydrogen 2.929 N/A SER 538.A OG LEU 535.A O no hydrogen 2.710 N/A TRP 541.A NE1 TYR 185.A O no hydrogen 2.655 N/A LEU 543.A N PRO 540.A O no hydrogen 3.031 N/A ALA 544.A N PRO 540.A O no hydrogen 3.059 N/A LEU 545.A N TRP 541.A O no hydrogen 2.920 N/A GLU 546.A N THR 542.A O no hydrogen 3.232 N/A ASN 547.A N LEU 543.A O no hydrogen 2.682 N/A VAL 548.A N LEU 545.A O no hydrogen 3.062 N/A VAL 549.A N LEU 545.A O no hydrogen 2.797 N/A ASN 553.A ND2 ASP 203.A OD2 no hydrogen 2.891 N/A ARG 557.A N ASN 555.A OD1 no hydrogen 2.665 N/A LEU 560.A N VAL 556.A O no hydrogen 3.390 N/A ASN 561.A N ARG 557.A O no hydrogen 3.299 N/A TYR 562.A N PRO 558.A O no hydrogen 3.080 N/A PHE 563.A N LEU 560.A O no hydrogen 3.006 N/A PHE 567.A N PHE 563.A O no hydrogen 3.029 N/A THR 568.A N GLU 564.A O no hydrogen 3.063 N/A THR 568.A OG1 GLU 564.A O no hydrogen 3.435 N/A THR 568.A OG1 GLU 564.A OE2 no hydrogen 3.451 N/A TRP 569.A N PRO 565.A O no hydrogen 3.222 N/A LEU 570.A N LEU 566.A O no hydrogen 2.711 N/A LYS 571.A N PHE 567.A O no hydrogen 2.998 N/A ASP 572.A N THR 568.A O no hydrogen 3.406 N/A GLN 573.A N TRP 569.A O no hydrogen 3.172 N/A ASN 574.A N LEU 570.A O no hydrogen 3.147 N/A ASN 574.A ND2 HIS 217.A O no hydrogen 3.379 N/A ASN 574.A ND2 LEU 570.A O no hydrogen 2.544 N/A SER 577.A N ASN 574.A O no hydrogen 3.180 N/A TRP 581.A NE1 GLU 458.A O no hydrogen 3.206 N/A SER 582.A N ILE 237.A O no hydrogen 3.340 N/A THR 583.A OG1 GLU 458.A OE1 no hydrogen 2.672 N/A ASP 584.A N SER 582.A OG no hydrogen 3.350 N/A TYR 588.A N SER 586.A O no hydrogen 2.554 N/A