Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1l1y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N TYR 538.A O no hydrogen 2.997 N/A THR 3.A OG1 TYR 538.A O no hydrogen 3.349 N/A LYS 4.A NZ ASN 536.A OD1 no hydrogen 3.204 N/A ALA 5.A N TYR 535.A O no hydrogen 2.982 N/A GLY 10.A N TYR 639.A O no hydrogen 2.729 N/A THR 11.A OG1 LYS 8.A O no hydrogen 2.787 N/A TYR 13.A OH ASN 531.A OD1 no hydrogen 2.609 N/A LYS 14.A NZ LEU 75.A O no hydrogen 3.110 N/A ASP 15.A N SER 12.A OG no hydrogen 2.844 N/A LEU 16.A N SER 12.A O no hydrogen 3.023 N/A PHE 17.A N TYR 13.A O no hydrogen 2.796 N/A LEU 18.A N LYS 14.A O no hydrogen 2.984 N/A GLU 19.A N ASP 15.A O no hydrogen 2.884 N/A LEU 20.A N LEU 16.A O no hydrogen 2.993 N/A TYR 21.A N PHE 17.A O no hydrogen 2.806 N/A TYR 21.A OH GLU 69.A OE1 no hydrogen 2.603 N/A TYR 21.A OH GLU 69.A OE2 no hydrogen 2.983 N/A GLY 22.A N LEU 18.A O no hydrogen 2.929 N/A LYS 23.A N GLU 19.A O no hydrogen 3.113 N/A LYS 23.A N LEU 20.A O no hydrogen 2.911 N/A LYS 23.A NZ GLU 19.A OE2 no hydrogen 2.756 N/A ILE 24.A N LEU 20.A O no hydrogen 2.901 N/A LYS 25.A N TYR 21.A O no hydrogen 2.941 N/A LYS 25.A NZ TYR 21.A OH no hydrogen 2.896 N/A LYS 25.A NZ GLU 69.A OE2 no hydrogen 2.796 N/A LYS 28.A N ASP 26.A OD1 no hydrogen 3.089 N/A ASN 29.A N ASP 26.A O no hydrogen 2.982 N/A ASN 29.A ND2 LYS 23.A O no hydrogen 2.786 N/A ASN 29.A ND2 GLY 542.A O no hydrogen 3.106 N/A GLY 30.A N PRO 27.A O no hydrogen 3.067 N/A TYR 31.A OH LYS 543.A O no hydrogen 2.513 N/A SER 33.A N ILE 38.A O no hydrogen 2.691 N/A SER 33.A OG GLU 36.A OE2 no hydrogen 2.781 N/A GLY 37.A N SER 33.A O no hydrogen 2.953 N/A ILE 38.A N SER 33.A OG no hydrogen 2.928 N/A TYR 40.A N TYR 31.A O no hydrogen 2.921 N/A TYR 40.A OH ASP 162.A OD2 no hydrogen 2.581 N/A HIS 41.A N VAL 56.A O no hydrogen 3.179 N/A HIS 41.A NE2 GLU 49.A OE2 no hydrogen 3.137 N/A SER 42.A OG GLU 44.A O no hydrogen 2.650 N/A ILE 43.A N HIS 615.A O no hydrogen 3.059 N/A THR 45.A OG1 ASP 594.A OD2 no hydrogen 2.363 N/A VAL 48.A N TYR 554.A OH no hydrogen 3.017 N/A GLU 49.A N PRO 51.A O no hydrogen 2.960 N/A GLY 54.A N THR 45.A O no hydrogen 2.668 N/A HIS 55.A NE2 ILE 43.A O no hydrogen 2.952 N/A THR 57.A N MET 159.A O no hydrogen 2.738 N/A THR 57.A OG1 PRO 39.A O no hydrogen 2.628 N/A SER 59.A N TRP 157.A O no hydrogen 2.966 N/A ALA 61.A N THR 58.A OG1 no hydrogen 2.950 N/A PHE 62.A N THR 58.A O no hydrogen 3.363 N/A SER 63.A N SER 59.A O no hydrogen 2.846 N/A SER 63.A OG GLU 60.A O no hydrogen 2.622 N/A TYR 64.A N GLU 60.A O no hydrogen 2.997 N/A TYR 64.A OH ASP 622.A OD2 no hydrogen 2.647 N/A TYR 65.A N ALA 61.A O no hydrogen 2.929 N/A VAL 66.A N PHE 62.A O no hydrogen 2.946 N/A TRP 67.A N SER 63.A O no hydrogen 3.100 N/A LEU 68.A N TYR 64.A O no hydrogen 2.869 N/A GLU 69.A N TYR 65.A O no hydrogen 3.298 N/A ALA 70.A N VAL 66.A O no hydrogen 2.806 N/A MET 71.A N TRP 67.A O no hydrogen 3.069 N/A TYR 72.A N LEU 68.A O no hydrogen 3.077 N/A GLY 73.A N GLU 69.A O no hydrogen 2.814 N/A ASN 74.A N ALA 70.A O no hydrogen 3.068 N/A LEU 75.A N MET 71.A O no hydrogen 3.029 N/A THR 76.A N GLY 73.A O no hydrogen 3.457 N/A GLY 77.A N GLY 73.A O no hydrogen 2.785 N/A ASN 78.A ND2 SER 80.A OG no hydrogen 3.238 N/A TRP 79.A NE1 GLN 247.A OE1 no hydrogen 2.737 N/A VAL 82.A N TRP 79.A O no hydrogen 2.978 N/A THR 84.A N SER 80.A O no hydrogen 2.894 N/A THR 84.A OG1 SER 80.A O no hydrogen 3.282 N/A ALA 85.A N GLY 81.A O no hydrogen 2.968 N/A TRP 86.A N VAL 82.A O no hydrogen 3.134 N/A TRP 86.A NE1 TYR 153.A OH no hydrogen 3.010 N/A LYS 87.A N GLU 83.A O no hydrogen 2.874 N/A VAL 88.A N THR 84.A O no hydrogen 2.903 N/A MET 89.A N ALA 85.A O no hydrogen 2.995 N/A GLU 90.A N TRP 86.A O no hydrogen 2.944 N/A ASP 91.A N LYS 87.A O no hydrogen 2.886 N/A TRP 92.A N VAL 88.A O no hydrogen 3.248 N/A ILE 93.A N MET 89.A O no hydrogen 3.057 N/A ILE 94.A N MET 89.A O no hydrogen 3.264 N/A ASP 96.A N GLU 99.A OE1 no hydrogen 3.123 N/A GLU 99.A N ASP 96.A O no hydrogen 3.320 N/A GLU 99.A N ASP 96.A OD2 no hydrogen 3.113 N/A GLN 100.A N SER 97.A O no hydrogen 3.068 N/A GLN 100.A NE2 ASP 96.A O no hydrogen 3.153 N/A GLN 100.A NE2 MET 152.A O no hydrogen 3.110 N/A MET 103.A N GLN 100.A O no hydrogen 3.375 N/A SER 105.A N GLY 102.A O no hydrogen 2.955 N/A SER 105.A OG SER 310.A OG no hydrogen 3.309 N/A TYR 106.A N MET 103.A O no hydrogen 2.916 N/A TYR 106.A OH ASP 138.A OD2 no hydrogen 2.997 N/A ASN 109.A N ASN 107.A OD1 no hydrogen 2.851 N/A TYR 114.A OH ASP 116.A OD1 no hydrogen 3.021 N/A GLU 117.A N GLY 381.A O no hydrogen 3.320 N/A TYR 118.A N TYR 124.A OH no hydrogen 2.887 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.649 N/A SER 122.A N ASP 120.A OD2 no hydrogen 2.791 N/A SER 122.A OG ASP 120.A OD2 no hydrogen 3.124 N/A TYR 123.A N ASP 120.A O no hydrogen 3.270 N/A TYR 124.A N PRO 121.A O no hydrogen 3.494 N/A SER 126.A N PHE 211.A O no hydrogen 2.834 N/A SER 126.A OG ASP 116.A O no hydrogen 3.011 N/A LEU 128.A N LYS 213.A O no hydrogen 3.020 N/A LYS 129.A N TYR 114.A O no hydrogen 2.990 N/A LYS 129.A NZ ASP 116.A OD1 no hydrogen 3.546 N/A LYS 129.A NZ ASP 116.A OD2 no hydrogen 3.554 N/A GLY 136.A N TYR 275.A O no hydrogen 3.233 N/A SER 137.A N ALA 287.A O no hydrogen 2.809 N/A ASP 138.A N PRO 108.A O no hydrogen 2.811 N/A VAL 140.A N ASP 138.A OD1 no hydrogen 2.922 N/A HIS 141.A N ASP 138.A OD1 no hydrogen 2.954 N/A LEU 144.A N VAL 140.A O no hydrogen 3.272 N/A VAL 145.A N HIS 141.A O no hydrogen 2.998 N/A SER 146.A N ASN 142.A O no hydrogen 2.993 N/A ALA 147.A N ASP 143.A O no hydrogen 3.175 N/A ALA 147.A N LEU 144.A O no hydrogen 3.110 N/A TYR 148.A N LEU 144.A O no hydrogen 2.859 N/A TYR 148.A OH ASP 265.A OD2 no hydrogen 2.336 N/A GLY 149.A N VAL 145.A O no hydrogen 2.808 N/A MET 152.A N GLN 100.A OE1 no hydrogen 3.325 N/A MET 155.A N GLU 230.A OE2 no hydrogen 2.666 N/A HIS 156.A N ILE 93.A O no hydrogen 3.070 N/A HIS 156.A NE2 ILE 176.A O no hydrogen 2.820 N/A TRP 157.A N THR 224.A O no hydrogen 2.817 N/A TRP 157.A NE1 ASN 177.A OD1 no hydrogen 3.103 N/A MET 159.A N THR 57.A O no hydrogen 3.010 N/A ASP 160.A N THR 174.A O no hydrogen 2.757 N/A ASN 163.A N ASP 160.A O no hydrogen 3.112 N/A ASN 163.A ND2 GLY 168.A O no hydrogen 2.723 N/A ASN 163.A ND2 GLY 170.A O no hydrogen 2.953 N/A TRP 164.A N ASP 160.A OD1 no hydrogen 2.827 N/A TYR 165.A N ASP 160.A OD2 no hydrogen 2.699 N/A TYR 165.A OH ASP 52.A OD1 no hydrogen 2.607 N/A GLY 166.A N ASN 163.A O no hydrogen 2.900 N/A GLY 168.A N ASN 163.A OD1 no hydrogen 2.861 N/A ARG 172.A N THR 169.A O no hydrogen 2.987 N/A THR 174.A N ASP 160.A O no hydrogen 3.064 N/A THR 174.A OG1 ARG 172.A O no hydrogen 2.855 N/A ILE 176.A N LEU 158.A O no hydrogen 3.345 N/A ASN 177.A N HIS 193.A O no hydrogen 2.932 N/A ASN 177.A ND2 GLN 180.A OE1 no hydrogen 3.413 N/A PHE 179.A N THR 178.A OG1 no hydrogen 2.712 N/A GLN 180.A N GLU 185.A OE1 no hydrogen 2.768 N/A GLN 180.A NE2 GLN 180.A O no hydrogen 3.685 N/A ARG 181.A N GLU 185.A OE1 no hydrogen 3.011 N/A ARG 181.A NE GLU 185.A OE2 no hydrogen 3.042 N/A ARG 181.A NH1 TYR 563.A O no hydrogen 2.762 N/A ARG 181.A NH2 GLU 189.A O no hydrogen 3.170 N/A ARG 181.A NH2 TYR 563.A O no hydrogen 3.092 N/A GLU 185.A N GLY 182.A O no hydrogen 3.223 N/A SER 186.A N GLN 184.A O no hydrogen 3.192 N/A SER 186.A OG GLU 189.A OE1 no hydrogen 3.281 N/A TRP 188.A N SER 186.A OG no hydrogen 3.255 N/A GLU 189.A N SER 186.A O no hydrogen 3.142 N/A HIS 193.A N ASN 177.A O no hydrogen 3.089 N/A HIS 193.A ND1 ILE 191.A O no hydrogen 2.694 N/A HIS 193.A NE2 GLN 180.A OE1 no hydrogen 3.283 N/A SER 195.A N PHE 175.A O no hydrogen 3.112 N/A SER 195.A OG ARG 222.A O no hydrogen 3.124 N/A GLU 197.A N GLN 220.A O no hydrogen 2.804 N/A PHE 199.A N GLU 197.A OE1 no hydrogen 3.083 N/A GLY 202.A N THR 571.A O no hydrogen 2.885 N/A GLY 203.A N GLY 206.A O no hydrogen 2.858 N/A ASN 205.A ND2 ASP 209.A OD2 no hydrogen 2.619 N/A PHE 207.A N GLU 197.A OE2 no hydrogen 2.549 N/A LEU 210.A N PHE 207.A O no hydrogen 2.753 N/A PHE 211.A N LEU 208.A O no hydrogen 2.993 N/A THR 212.A N LEU 208.A O no hydrogen 3.178 N/A LYS 213.A N SER 126.A O no hydrogen 2.630 N/A ASP 214.A N TYR 217.A OH no hydrogen 3.142 N/A ARG 215.A N ASP 214.A OD1 no hydrogen 2.676 N/A GLN 220.A N GLU 197.A O no hydrogen 3.253 N/A GLN 220.A NE2 ALA 218.A O no hydrogen 2.916 N/A TRP 221.A N GLY 305.A O no hydrogen 3.046 N/A TRP 221.A NE1 PRO 101.A O no hydrogen 2.900 N/A ARG 222.A N SER 195.A O no hydrogen 3.136 N/A TYR 223.A N TRP 303.A O no hydrogen 2.846 N/A TYR 223.A OH GLU 99.A O no hydrogen 2.688 N/A THR 224.A N HIS 156.A ND1 no hydrogen 2.921 N/A ASN 225.A N THR 301.A O no hydrogen 2.988 N/A ASN 225.A ND2 GLU 230.A OE2 no hydrogen 3.106 N/A ASN 225.A ND2 ASP 270.A OD2 no hydrogen 3.314 N/A ALA 229.A N ALA 226.A O no hydrogen 3.037 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.858 N/A GLY 231.A N PRO 227.A O no hydrogen 2.919 N/A ARG 232.A N ASP 228.A O no hydrogen 2.960 N/A ARG 232.A NH1 SER 63.A OG no hydrogen 3.034 N/A ALA 233.A N ALA 229.A O no hydrogen 2.892 N/A ILE 234.A N GLU 230.A O no hydrogen 2.959 N/A GLN 235.A N GLY 231.A O no hydrogen 2.912 N/A GLN 235.A NE2 GLN 421.A OE1 no hydrogen 3.075 N/A GLN 235.A NE2 GLU 425.A OE1 no hydrogen 2.670 N/A ALA 236.A N ARG 232.A O no hydrogen 2.861 N/A VAL 237.A N ALA 233.A O no hydrogen 3.090 N/A TYR 238.A N ILE 234.A O no hydrogen 2.797 N/A TYR 238.A OH GLU 429.A OE2 no hydrogen 2.432 N/A TRP 239.A N GLN 235.A O no hydrogen 3.422 N/A TRP 239.A NE1 GLU 425.A OE1 no hydrogen 2.894 N/A ALA 240.A N ALA 236.A O no hydrogen 2.951 N/A ASN 241.A N VAL 237.A O no hydrogen 2.858 N/A LYS 242.A N TYR 238.A O no hydrogen 3.004 N/A LYS 242.A NZ GLU 246.A OE2 no hydrogen 2.694 N/A TRP 243.A N TRP 239.A O no hydrogen 2.823 N/A ALA 244.A N ALA 240.A O no hydrogen 2.703 N/A LYS 245.A N ASN 241.A O no hydrogen 2.852 N/A LYS 245.A NZ ASN 241.A OD1 no hydrogen 3.507 N/A GLU 246.A N LYS 242.A O no hydrogen 3.048 N/A GLN 247.A N ALA 244.A O no hydrogen 3.045 N/A GLN 247.A NE2 GLY 73.A O no hydrogen 3.291 N/A GLY 248.A N LYS 245.A O no hydrogen 2.710 N/A LYS 249.A N ALA 244.A O no hydrogen 2.833 N/A LYS 249.A NZ GLY 77.A O no hydrogen 3.172 N/A ALA 252.A N LYS 249.A O no hydrogen 3.016 N/A VAL 253.A N GLY 250.A O no hydrogen 3.162 N/A VAL 257.A N VAL 253.A O no hydrogen 2.832 N/A SER 258.A N ALA 254.A O no hydrogen 3.042 N/A SER 258.A OG ALA 254.A O no hydrogen 3.363 N/A LYS 259.A N SER 255.A O no hydrogen 3.116 N/A LYS 259.A NZ GLU 90.A OE1 no hydrogen 3.385 N/A LYS 259.A NZ GLU 90.A OE2 no hydrogen 3.219 N/A ALA 260.A N VAL 256.A O no hydrogen 2.780 N/A ALA 261.A N VAL 257.A O no hydrogen 2.743 N/A LYS 262.A N SER 258.A O no hydrogen 2.887 N/A MET 263.A N LYS 259.A O no hydrogen 2.782 N/A GLY 264.A N ALA 260.A O no hydrogen 2.884 N/A ASP 265.A N ALA 261.A O no hydrogen 3.088 N/A PHE 266.A N LYS 262.A O no hydrogen 3.033 N/A LEU 267.A N MET 263.A O no hydrogen 3.152 N/A LEU 267.A N GLY 264.A O no hydrogen 3.200 N/A ARG 268.A N ASP 265.A O no hydrogen 3.178 N/A ARG 268.A NE ASP 349.A OD2 no hydrogen 2.910 N/A ARG 268.A NH1 ASP 143.A OD2 no hydrogen 3.273 N/A ARG 268.A NH1 TYR 290.A OH no hydrogen 3.361 N/A ARG 268.A NH1 ASP 349.A OD2 no hydrogen 2.591 N/A ARG 268.A NH2 ASP 265.A OD1 no hydrogen 3.204 N/A ASN 269.A N PHE 266.A O no hydrogen 2.923 N/A ASN 269.A ND2 PHE 266.A O no hydrogen 3.140 N/A ASP 270.A N LEU 267.A O no hydrogen 3.077 N/A MET 271.A N ARG 268.A O no hydrogen 2.932 N/A ASP 273.A N SER 292.A O no hydrogen 3.033 N/A LYS 274.A N SER 318.A OG no hydrogen 3.095 N/A LYS 274.A NZ GLU 117.A OE2 no hydrogen 2.723 N/A TYR 275.A N ASP 273.A OD2 no hydrogen 2.961 N/A TYR 275.A N TYR 383.A OH no hydrogen 3.390 N/A PHE 276.A N ASP 273.A O no hydrogen 3.110 N/A MET 277.A N ASP 273.A OD2 no hydrogen 3.026 N/A LYS 278.A N THR 285.A O no hydrogen 2.936 N/A ILE 279.A N ASP 291.A O no hydrogen 2.940 N/A GLY 280.A N ASN 377.A OD1 no hydrogen 2.761 N/A TYR 290.A OH ASP 349.A OD2 no hydrogen 2.686 N/A ALA 293.A N TYR 290.A O no hydrogen 3.221 N/A HIS 294.A N MET 271.A O no hydrogen 2.853 N/A HIS 294.A NE2 CYS 317.A O no hydrogen 3.171 N/A TYR 295.A N MET 271.A O no hydrogen 3.259 N/A LEU 296.A N HIS 294.A ND1 no hydrogen 3.098 N/A MET 297.A N GLN 325.A OE1 no hydrogen 2.742 N/A ALA 298.A N ASP 270.A O no hydrogen 3.111 N/A TRP 299.A N HIS 319.A O no hydrogen 3.023 N/A THR 301.A N ASN 225.A OD1 no hydrogen 2.996 N/A ALA 302.A N ILE 315.A O no hydrogen 3.101 N/A TRP 303.A N TYR 223.A O no hydrogen 3.202 N/A TRP 303.A NE1 GLN 100.A OE1 no hydrogen 2.717 N/A GLY 304.A N TRP 313.A O no hydrogen 3.226 N/A GLY 305.A N TRP 221.A O no hydrogen 3.170 N/A GLY 306.A N TRP 311.A O no hydrogen 3.152 N/A ILE 307.A N LYS 219.A O no hydrogen 2.901 N/A SER 310.A OG SER 105.A OG no hydrogen 3.309 N/A TRP 313.A N GLY 304.A O no hydrogen 2.849 N/A LYS 314.A N PRO 111.A O no hydrogen 2.958 N/A LYS 314.A NZ ASP 138.A OD2 no hydrogen 2.984 N/A LYS 314.A NZ HIS 141.A ND1 no hydrogen 2.855 N/A LYS 314.A NZ ASN 269.A OD1 no hydrogen 3.111 N/A ILE 315.A N ALA 302.A O no hydrogen 2.668 N/A GLY 316.A N LYS 274.A O no hydrogen 3.166 N/A CYS 317.A N PHE 272.A O no hydrogen 2.966 N/A CYS 317.A SG HIS 319.A O no hydrogen 3.872 N/A SER 318.A OG ASP 273.A OD1 no hydrogen 2.747 N/A SER 318.A OG TYR 383.A OH no hydrogen 3.307 N/A HIS 319.A ND1 THR 376.A OG1 no hydrogen 2.590 N/A HIS 319.A NE2 GLU 117.A OE1 no hydrogen 3.180 N/A ALA 320.A N ALA 375.A O no hydrogen 2.762 N/A HIS 321.A NE2 SER 409.A O no hydrogen 2.996 N/A PHE 322.A N GLY 373.A O no hydrogen 2.878 N/A GLY 323.A N HIS 321.A ND1 no hydrogen 2.856 N/A TYR 324.A N HIS 321.A O no hydrogen 3.145 N/A GLN 325.A N PHE 322.A O no hydrogen 3.215 N/A GLN 325.A NE2 MET 297.A O no hydrogen 2.969 N/A GLN 325.A NE2 HIS 321.A O no hydrogen 2.812 N/A ASN 326.A N GLN 357.A OE1 no hydrogen 2.933 N/A ASN 326.A ND2 GLN 235.A OE1 no hydrogen 2.961 N/A GLN 329.A N ASN 326.A OD1 no hydrogen 2.888 N/A GLY 330.A N ASN 326.A O no hydrogen 2.853 N/A TRP 331.A N PRO 327.A O no hydrogen 2.815 N/A VAL 332.A N PHE 328.A O no hydrogen 2.862 N/A SER 333.A N GLN 329.A O no hydrogen 3.054 N/A SER 333.A OG GLN 329.A O no hydrogen 3.353 N/A SER 333.A OG GLY 330.A O no hydrogen 3.231 N/A ALA 334.A N GLY 330.A O no hydrogen 3.071 N/A THR 335.A N TRP 331.A O no hydrogen 3.003 N/A THR 335.A OG1 TRP 331.A O no hydrogen 2.754 N/A THR 335.A OG1 GLN 336.A OE1 no hydrogen 3.131 N/A GLN 336.A N VAL 332.A O no hydrogen 2.964 N/A PHE 339.A N GLN 336.A O no hydrogen 2.858 N/A ALA 340.A N SER 337.A O no hydrogen 2.992 N/A LYS 342.A N TYR 148.A OH no hydrogen 3.175 N/A SER 343.A N ASP 265.A OD2 no hydrogen 3.095 N/A SER 343.A OG ASP 265.A OD1 no hydrogen 2.675 N/A SER 343.A OG ASP 265.A OD2 no hydrogen 2.752 N/A SER 344.A OG ASN 345.A OD1 no hydrogen 3.438 N/A ASN 345.A N ASP 143.A OD1 no hydrogen 2.821 N/A LYS 347.A NZ ALA 334.A O no hydrogen 2.682 N/A ARG 348.A NE ASP 349.A OD1 no hydrogen 3.213 N/A ARG 348.A NH2 ASP 349.A OD1 no hydrogen 3.067 N/A ASP 349.A N ASN 345.A O no hydrogen 2.985 N/A TRP 350.A N GLY 346.A O no hydrogen 2.853 N/A TRP 350.A NE1 GLY 264.A O no hydrogen 2.886 N/A THR 351.A N LYS 347.A O no hydrogen 2.915 N/A THR 351.A OG1 LYS 347.A O no hydrogen 2.875 N/A THR 352.A N ARG 348.A O no hydrogen 3.069 N/A SER 353.A N ASP 349.A O no hydrogen 2.833 N/A SER 353.A OG TYR 295.A O no hydrogen 2.646 N/A TYR 354.A N TRP 350.A O no hydrogen 2.827 N/A ARG 356.A N THR 352.A O no hydrogen 3.061 N/A GLN 357.A N SER 353.A O no hydrogen 2.780 N/A GLN 357.A NE2 SER 353.A OG no hydrogen 3.239 N/A LEU 358.A N TYR 354.A O no hydrogen 3.159 N/A LEU 358.A N LYS 355.A O no hydrogen 3.018 N/A GLU 359.A N LYS 355.A O no hydrogen 3.142 N/A PHE 360.A N ARG 356.A O no hydrogen 3.160 N/A TYR 361.A N GLN 357.A O no hydrogen 3.339 N/A TYR 361.A OH SER 419.A O no hydrogen 3.338 N/A TYR 361.A OH SER 419.A OG no hydrogen 2.656 N/A GLN 362.A NE2 LEU 358.A O no hydrogen 2.973 N/A TRP 363.A N GLU 359.A O no hydrogen 2.935 N/A TRP 363.A NE1 ASP 471.A O no hydrogen 2.865 N/A LEU 364.A N PHE 360.A O no hydrogen 3.020 N/A GLN 365.A N GLN 362.A O no hydrogen 3.440 N/A GLN 365.A NE2 GLY 369.A O no hydrogen 3.097 N/A GLN 365.A NE2 LEU 438.A O no hydrogen 2.918 N/A SER 366.A N GLY 370.A O no hydrogen 2.955 N/A SER 366.A OG GLY 370.A O no hydrogen 3.041 N/A ALA 367.A N LEU 483.A O no hydrogen 2.952 N/A GLY 369.A N SER 366.A OG no hydrogen 2.858 N/A ILE 371.A N GLN 416.A OE1 no hydrogen 2.830 N/A ALA 372.A N LEU 364.A O no hydrogen 2.793 N/A ALA 375.A N ALA 320.A O no hydrogen 2.927 N/A THR 376.A N ALA 397.A O no hydrogen 2.796 N/A THR 376.A OG1 HIS 319.A ND1 no hydrogen 2.590 N/A THR 376.A OG1 SER 378.A O no hydrogen 3.331 N/A ASN 377.A N SER 318.A O no hydrogen 2.976 N/A ASN 377.A ND2 ASP 273.A OD1 no hydrogen 2.672 N/A ASN 377.A ND2 LYS 278.A O no hydrogen 3.121 N/A SER 378.A N THR 376.A OG1 no hydrogen 3.003 N/A ASN 380.A ND2 GLU 384.A OE1 no hydrogen 3.298 N/A GLY 381.A N SER 378.A O no hydrogen 2.902 N/A ARG 382.A N TRP 379.A O no hydrogen 3.280 N/A ARG 382.A NE GLU 384.A OE2 no hydrogen 2.995 N/A ARG 382.A NH1 GLU 117.A O no hydrogen 2.914 N/A ARG 382.A NH1 GLU 119.A OE1 no hydrogen 2.740 N/A ARG 382.A NH1 GLU 119.A OE2 no hydrogen 3.541 N/A ARG 382.A NH2 GLU 119.A OE1 no hydrogen 3.447 N/A ARG 382.A NH2 GLU 119.A OE2 no hydrogen 2.705 N/A ARG 382.A NH2 GLU 384.A OE2 no hydrogen 3.178 N/A TYR 383.A N SER 378.A OG no hydrogen 2.862 N/A TYR 383.A OH ASP 273.A OD1 no hydrogen 3.086 N/A TYR 383.A OH ASP 273.A OD2 no hydrogen 2.284 N/A TYR 383.A OH SER 318.A OG no hydrogen 3.307 N/A GLU 384.A N TRP 379.A O no hydrogen 3.305 N/A TYR 386.A N GLN 282.A OE1 no hydrogen 2.918 N/A TYR 386.A OH GLY 395.A O no hydrogen 2.732 N/A THR 390.A N PRO 387.A O no hydrogen 3.421 N/A THR 390.A OG1 PRO 387.A O no hydrogen 3.031 N/A SER 391.A N GLN 469.A OE1 no hydrogen 3.003 N/A SER 391.A OG PRO 470.A O no hydrogen 2.791 N/A THR 392.A N THR 472.A OG1 no hydrogen 3.328 N/A PHE 393.A N MET 396.A O no hydrogen 2.872 N/A TYR 394.A OH GLU 359.A OE1 no hydrogen 2.568 N/A MET 396.A N PHE 393.A O no hydrogen 3.108 N/A ALA 397.A N THR 376.A O no hydrogen 2.747 N/A TYR 398.A N SER 391.A O no hydrogen 3.011 N/A VAL 399.A N GLY 374.A O no hydrogen 2.799 N/A TYR 404.A N PRO 402.A O no hydrogen 2.825 N/A ALA 405.A N GLU 183.A O no hydrogen 2.899 N/A SER 409.A N TYR 404.A O no hydrogen 3.017 N/A SER 409.A OG PRO 402.A O no hydrogen 2.523 N/A ASN 410.A N HIS 401.A ND1 no hydrogen 3.066 N/A ASN 410.A ND2 ILE 371.A O no hydrogen 3.244 N/A GLN 411.A N GLY 408.A O no hydrogen 2.959 N/A PHE 413.A N SER 462.A O no hydrogen 3.068 N/A PHE 415.A N TRP 412.A O no hydrogen 3.451 N/A GLN 416.A N PHE 413.A O no hydrogen 2.918 N/A GLN 416.A NE2 ILE 371.A O no hydrogen 2.854 N/A TRP 418.A N GLY 414.A O no hydrogen 2.959 N/A TRP 418.A NE1 ASP 622.A OD2 no hydrogen 3.006 N/A SER 419.A N PHE 415.A O no hydrogen 2.911 N/A SER 419.A OG PHE 322.A O no hydrogen 2.771 N/A SER 419.A OG TYR 361.A OH no hydrogen 2.656 N/A MET 420.A N GLN 416.A O no hydrogen 2.943 N/A GLN 421.A N ALA 417.A O no hydrogen 2.936 N/A GLN 421.A NE2 GLU 425.A OE2 no hydrogen 3.004 N/A GLN 421.A NE2 ASN 502.A OD1 no hydrogen 2.908 N/A ARG 422.A NH1 GLY 323.A O no hydrogen 3.024 N/A ARG 422.A NH1 GLN 325.A O no hydrogen 3.072 N/A MET 424.A N MET 420.A O no hydrogen 3.079 N/A GLU 425.A N GLN 421.A O no hydrogen 3.137 N/A TYR 426.A N ARG 422.A O no hydrogen 2.988 N/A TYR 426.A OH ASP 432.A OD2 no hydrogen 2.558 N/A TYR 427.A N VAL 423.A O no hydrogen 2.870 N/A TYR 427.A OH GLU 515.A OE2 no hydrogen 2.664 N/A LEU 428.A N MET 424.A O no hydrogen 2.722 N/A GLU 429.A N GLU 425.A O no hydrogen 2.907 N/A THR 430.A N TYR 426.A O no hydrogen 2.993 N/A THR 430.A OG1 TYR 426.A O no hydrogen 2.732 N/A GLY 431.A N TYR 427.A O no hydrogen 2.809 N/A ASP 432.A N THR 430.A OG1 no hydrogen 3.259 N/A SER 434.A N ASP 432.A OD1 no hydrogen 2.782 N/A SER 434.A OG ASP 432.A OD1 no hydrogen 2.665 N/A SER 434.A OG ASP 432.A OD2 no hydrogen 3.135 N/A VAL 435.A N ASP 432.A O no hydrogen 3.274 N/A LYS 436.A N SER 433.A O no hydrogen 3.295 N/A ILE 439.A N VAL 435.A O no hydrogen 3.061 N/A LYS 440.A N LYS 436.A O no hydrogen 2.939 N/A LYS 440.A NZ TYR 507.A OH no hydrogen 2.982 N/A LYS 440.A NZ GLU 515.A OE1 no hydrogen 2.630 N/A LYS 440.A NZ GLU 515.A OE2 no hydrogen 3.109 N/A LYS 441.A N ASN 437.A O no hydrogen 2.947 N/A LYS 441.A NZ SER 366.A O no hydrogen 3.113 N/A LYS 441.A NZ ALA 367.A O no hydrogen 2.933 N/A LYS 441.A NZ TYR 477.A OH no hydrogen 2.710 N/A TRP 442.A N LEU 438.A O no hydrogen 3.044 N/A TRP 442.A NE1 GLN 416.A OE1 no hydrogen 3.145 N/A VAL 443.A N ILE 439.A O no hydrogen 2.869 N/A ASP 444.A N LYS 440.A O no hydrogen 2.894 N/A TRP 445.A N LYS 441.A O no hydrogen 3.090 N/A VAL 446.A N TRP 442.A O no hydrogen 2.983 N/A MET 447.A N VAL 443.A O no hydrogen 2.798 N/A SER 448.A N ASP 444.A O no hydrogen 3.170 N/A SER 448.A OG TRP 445.A O no hydrogen 2.672 N/A GLU 449.A N VAL 446.A O no hydrogen 2.907 N/A ILE 450.A N VAL 446.A O no hydrogen 3.114 N/A LYS 451.A N ALA 459.A O no hydrogen 2.921 N/A LYS 451.A NZ SER 448.A O no hydrogen 3.327 N/A TYR 453.A N THR 457.A O no hydrogen 3.083 N/A GLY 456.A N TYR 453.A O no hydrogen 2.936 N/A THR 457.A N ASP 455.A OD1 no hydrogen 3.165 N/A THR 457.A OG1 ASP 455.A OD1 no hydrogen 2.837 N/A ALA 459.A N LYS 451.A O no hydrogen 2.939 N/A ILE 460.A N GLY 491.A O no hydrogen 2.928 N/A SER 462.A N SER 489.A O no hydrogen 2.821 N/A ASP 463.A N SER 489.A O no hydrogen 3.329 N/A LEU 464.A N GLN 411.A O no hydrogen 2.699 N/A GLU 465.A N ARG 486.A O no hydrogen 2.844 N/A TRP 466.A NE1 ASN 410.A O no hydrogen 2.794 N/A SER 467.A N HIS 484.A O no hydrogen 2.976 N/A GLN 469.A NE2 GLY 389.A O no hydrogen 2.923 N/A ASP 471.A N ASN 480.A OD1 no hydrogen 2.939 N/A TRP 473.A N THR 392.A O no hydrogen 2.919 N/A TRP 473.A NE1 GLU 359.A OE1 no hydrogen 2.970 N/A TYR 477.A OH GLN 365.A O no hydrogen 2.904 N/A THR 478.A OG1 ASP 471.A OD2 no hydrogen 2.979 N/A THR 478.A OG1 ASN 480.A OD1 no hydrogen 3.075 N/A ASN 480.A N THR 478.A OG1 no hydrogen 2.884 N/A ASN 480.A ND2 TRP 363.A O no hydrogen 2.707 N/A ASN 480.A ND2 GLN 365.A O no hydrogen 3.103 N/A LEU 483.A N ASN 480.A O no hydrogen 3.131 N/A HIS 484.A N SER 467.A O no hydrogen 2.905 N/A HIS 484.A ND1 GLU 368.A OE2 no hydrogen 2.663 N/A VAL 485.A N GLU 368.A OE1 no hydrogen 3.009 N/A ARG 486.A N GLU 465.A O no hydrogen 2.960 N/A THR 488.A N ASP 463.A O no hydrogen 2.911 N/A THR 488.A OG1 ASP 463.A O no hydrogen 3.328 N/A SER 489.A OG ASP 463.A OD2 no hydrogen 2.643 N/A TYR 490.A OH GLU 449.A OE1 no hydrogen 2.598 N/A GLY 491.A N ILE 460.A O no hydrogen 2.826 N/A VAL 496.A N ASP 493.A OD1 no hydrogen 3.076 N/A ALA 497.A N ASP 493.A O no hydrogen 2.988 N/A GLY 498.A N LEU 494.A O no hydrogen 2.864 N/A SER 499.A N GLY 495.A O no hydrogen 3.028 N/A LEU 500.A N VAL 496.A O no hydrogen 2.769 N/A ALA 501.A N ALA 497.A O no hydrogen 2.844 N/A ASN 502.A N GLY 498.A O no hydrogen 2.705 N/A ALA 503.A N SER 499.A O no hydrogen 2.893 N/A LEU 504.A N LEU 500.A O no hydrogen 2.989 N/A ALA 505.A N ALA 501.A O no hydrogen 2.793 N/A THR 506.A N ASN 502.A O no hydrogen 2.795 N/A THR 506.A OG1 ASN 502.A O no hydrogen 2.912 N/A THR 506.A OG1 ASN 502.A OD1 no hydrogen 3.025 N/A TYR 507.A N ALA 503.A O no hydrogen 2.853 N/A ALA 508.A N LEU 504.A O no hydrogen 2.862 N/A ALA 509.A N ALA 505.A O no hydrogen 2.847 N/A ALA 510.A N THR 506.A O no hydrogen 2.915 N/A THR 511.A N TYR 507.A O no hydrogen 2.866 N/A THR 511.A OG1 ALA 508.A O no hydrogen 2.722 N/A GLU 512.A N ALA 508.A O no hydrogen 3.043 N/A ARG 513.A N ALA 509.A O no hydrogen 3.045 N/A ARG 513.A NH1 LEU 428.A O no hydrogen 2.653 N/A ARG 513.A NH1 GLU 429.A OE1 no hydrogen 2.951 N/A TRP 514.A N ALA 510.A O no hydrogen 2.954 N/A TRP 514.A NE1 LEU 428.A O no hydrogen 2.786 N/A GLU 515.A N THR 511.A O no hydrogen 2.994 N/A ASP 519.A N THR 511.A OG1 no hydrogen 2.743 N/A ALA 522.A N ASP 519.A OD1 no hydrogen 3.025 N/A ARG 523.A N ASP 519.A O no hydrogen 3.232 N/A ARG 523.A NE ASP 524.A OD1 no hydrogen 3.057 N/A ARG 523.A NH2 ASP 524.A OD1 no hydrogen 2.991 N/A ARG 523.A NH2 ASP 524.A OD2 no hydrogen 3.384 N/A ASP 524.A N THR 520.A O no hydrogen 2.982 N/A MET 525.A N LYS 521.A O no hydrogen 2.842 N/A ALA 526.A N ALA 522.A O no hydrogen 2.955 N/A ALA 527.A N ARG 523.A O no hydrogen 3.095 N/A GLU 528.A N ASP 524.A O no hydrogen 2.833 N/A LEU 529.A N MET 525.A O no hydrogen 2.903 N/A VAL 530.A N ALA 526.A O no hydrogen 3.135 N/A ASN 531.A N ALA 527.A O no hydrogen 2.852 N/A ARG 532.A N GLU 528.A O no hydrogen 2.956 N/A ARG 532.A NE GLU 528.A OE1 no hydrogen 2.831 N/A ARG 532.A NH1 TYR 453.A O no hydrogen 2.979 N/A ARG 532.A NH1 THR 457.A O no hydrogen 2.905 N/A ARG 532.A NH2 GLU 528.A OE1 no hydrogen 3.130 N/A ALA 533.A N LEU 529.A O no hydrogen 2.947 N/A TRP 534.A N VAL 530.A O no hydrogen 3.122 N/A TRP 534.A NE1 THR 7.A OG1 no hydrogen 2.785 N/A TYR 535.A N ASN 531.A O no hydrogen 2.817 N/A ASN 536.A N ARG 532.A O no hydrogen 3.115 N/A ASN 536.A ND2 GLY 456.A O no hydrogen 2.703 N/A ASN 536.A ND2 ARG 532.A O no hydrogen 2.840 N/A PHE 537.A N ALA 533.A O no hydrogen 3.208 N/A CYS 539.A N GLY 544.A O no hydrogen 2.932 N/A CYS 539.A SG HIS 615.A NE2 no hydrogen 3.553 N/A GLY 542.A N CYS 539.A O no hydrogen 3.158 N/A VAL 545.A N GLU 620.A OE1 no hydrogen 2.878 N/A VAL 546.A N PHE 537.A O no hydrogen 2.652 N/A THR 547.A N TYR 614.A O no hydrogen 3.121 N/A GLU 549.A N LEU 612.A O no hydrogen 2.807 N/A ARG 551.A N PRO 610.A O no hydrogen 2.893 N/A ARG 551.A NE ASP 553.A OD1 no hydrogen 3.229 N/A ARG 551.A NH1 VAL 48.A O no hydrogen 2.847 N/A ARG 551.A NH1 ASP 553.A OD2 no hydrogen 2.980 N/A ARG 551.A NH2 GLU 49.A OE1 no hydrogen 3.278 N/A ARG 551.A NH2 GLU 549.A OE2 no hydrogen 3.220 N/A TYR 554.A N ARG 551.A O no hydrogen 2.988 N/A TYR 554.A OH TYR 614.A OH no hydrogen 2.616 N/A LYS 555.A N ALA 552.A O no hydrogen 3.250 N/A ARG 556.A N ASP 553.A O no hydrogen 3.005 N/A ARG 556.A NH1 ASP 406.A OD1 no hydrogen 3.099 N/A ARG 556.A NH1 ASP 406.A OD2 no hydrogen 3.536 N/A ARG 556.A NH2 ASP 406.A OD2 no hydrogen 3.532 N/A ARG 556.A NH2 GLN 560.A OE1 no hydrogen 3.127 N/A PHE 557.A N TYR 554.A O no hydrogen 2.957 N/A PHE 558.A N LYS 555.A O no hydrogen 2.855 N/A GLU 559.A N LYS 555.A O no hydrogen 3.059 N/A GLN 560.A N ARG 556.A O no hydrogen 3.327 N/A GLN 560.A NE2 GLU 561.A O no hydrogen 2.875 N/A VAL 562.A N ILE 582.A O no hydrogen 2.889 N/A TRP 568.A N PRO 565.A O no hydrogen 2.856 N/A TRP 568.A NE1 ASP 209.A OD1 no hydrogen 2.509 N/A GLY 570.A N ILE 578.A O no hydrogen 3.061 N/A THR 571.A N GLY 202.A O no hydrogen 2.795 N/A MET 572.A N ASP 576.A O no hydrogen 2.925 N/A GLY 575.A N MET 572.A O no hydrogen 2.799 N/A ASP 576.A N ASN 574.A OD1 no hydrogen 2.856 N/A ILE 578.A N GLY 570.A O no hydrogen 2.690 N/A LYS 583.A N ASP 586.A OD2 no hydrogen 2.719 N/A PHE 584.A N GLN 560.A O no hydrogen 2.998 N/A ILE 585.A N PHE 557.A O no hydrogen 3.194 N/A ASP 586.A N LYS 583.A O no hydrogen 2.630 N/A ARG 588.A N ILE 585.A O no hydrogen 3.073 N/A ARG 588.A NE TYR 165.A OH no hydrogen 2.936 N/A ARG 588.A NH1 PHE 584.A O no hydrogen 3.270 N/A ARG 588.A NH2 ASP 52.A OD2 no hydrogen 2.977 N/A ARG 588.A NH2 THR 190.A OG1 no hydrogen 3.219 N/A LYS 590.A NZ TRP 164.A O no hydrogen 3.341 N/A TYR 591.A N ARG 588.A O no hydrogen 3.013 N/A TYR 591.A OH THR 45.A O no hydrogen 3.247 N/A TYR 591.A OH ASP 52.A O no hydrogen 2.851 N/A ARG 592.A N THR 589.A O no hydrogen 3.140 N/A ARG 592.A NE TYR 597.A OH no hydrogen 3.567 N/A GLN 593.A N LYS 590.A O no hydrogen 3.095 N/A ASP 594.A N TYR 591.A O no hydrogen 2.883 N/A TYR 596.A N ASP 594.A OD1 no hydrogen 3.044 N/A TYR 597.A N ASP 594.A O no hydrogen 2.811 N/A VAL 600.A N TYR 596.A O no hydrogen 3.386 N/A TYR 601.A N TYR 597.A O no hydrogen 2.815 N/A GLN 602.A N ASP 598.A O no hydrogen 2.790 N/A ALA 603.A N ILE 599.A O no hydrogen 3.324 N/A TYR 604.A N VAL 600.A O no hydrogen 3.048 N/A LEU 605.A N TYR 601.A O no hydrogen 2.876 N/A ARG 606.A N GLN 602.A O no hydrogen 3.322 N/A GLY 607.A N TYR 604.A O no hydrogen 2.790 N/A GLU 608.A N ALA 603.A O no hydrogen 2.922 N/A LEU 612.A N GLU 549.A O no hydrogen 2.789 N/A TYR 614.A OH LEU 46.A O no hydrogen 2.808 N/A TYR 614.A OH TYR 554.A OH no hydrogen 2.616 N/A HIS 615.A N GLU 44.A OE1 no hydrogen 2.917 N/A HIS 615.A ND1 GLU 44.A OE2 no hydrogen 2.722 N/A ARG 616.A NE GLU 49.A OE2 no hydrogen 2.812 N/A ARG 616.A NH1 GLU 549.A OE1 no hydrogen 2.878 N/A ARG 616.A NH2 GLU 49.A OE1 no hydrogen 2.892 N/A ARG 616.A NH2 GLU 49.A OE2 no hydrogen 3.177 N/A ARG 616.A NH2 GLU 549.A OE2 no hydrogen 3.067 N/A PHE 617.A N HIS 41.A O no hydrogen 2.981 N/A GLU 620.A N ARG 616.A O no hydrogen 3.206 N/A VAL 621.A N PHE 617.A O no hydrogen 3.069 N/A ASP 622.A N TRP 618.A O no hydrogen 2.810 N/A LEU 623.A N HIS 619.A O no hydrogen 3.138 N/A ALA 624.A N GLU 620.A O no hydrogen 2.911 N/A VAL 625.A N VAL 621.A O no hydrogen 2.749 N/A ALA 626.A N ASP 622.A O no hydrogen 3.071 N/A MET 627.A N LEU 623.A O no hydrogen 3.101 N/A GLY 628.A N ALA 624.A O no hydrogen 3.019 N/A VAL 629.A N VAL 625.A O no hydrogen 2.767 N/A LEU 630.A N ALA 626.A O no hydrogen 3.137 N/A ALA 631.A N MET 627.A O no hydrogen 2.909 N/A THR 632.A N GLY 628.A O no hydrogen 2.924 N/A THR 632.A N VAL 629.A O no hydrogen 3.090 N/A THR 632.A OG1 ASN 74.A OD1 no hydrogen 2.985 N/A THR 632.A OG1 GLY 628.A O no hydrogen 2.728 N/A TYR 633.A N VAL 629.A O no hydrogen 2.933 N/A PHE 634.A N LEU 630.A O no hydrogen 2.784 N/A MET 637.A N PHE 634.A O no hydrogen 2.852 N/A THR 638.A OG1 GLY 10.A O no hydrogen 3.007 N/A TYR 639.A N THR 11.A O no hydrogen 2.899 N/A VAL 641.A N ASP 9.A OD1 no hydrogen 3.013 N/A