Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pxu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.658 N/A ILE 5.A N GLN 114.A OE1 no hydrogen 2.837 N/A LYS 7.A N GLU 487.A OE1 no hydrogen 2.918 N/A LYS 7.A NZ ASP 500.A OD2 no hydrogen 3.095 N/A ALA 9.A N ASP 143.A OD1 no hydrogen 2.913 N/A GLU 10.A N THR 142.A O no hydrogen 2.897 N/A THR 12.A N ARG 140.A O no hydrogen 2.827 N/A PHE 14.A N PRO 138.A O no hydrogen 3.013 N/A LEU 21.A N TRP 132.A O no hydrogen 2.942 N/A THR 22.A N SER 25.A OG no hydrogen 3.001 N/A ASP 24.A N THR 22.A OG1 no hydrogen 2.975 N/A SER 25.A N THR 22.A O no hydrogen 3.107 N/A SER 25.A OG THR 22.A O no hydrogen 3.562 N/A SER 25.A OG ALA 68.A O no hydrogen 2.671 N/A ILE 27.A N PRO 56.A O no hydrogen 2.960 N/A ILE 28.A N ILE 70.A O no hydrogen 2.745 N/A GLU 30.A N ILE 72.A O no hydrogen 2.970 N/A ASP 33.A N THR 31.A OG1 no hydrogen 3.158 N/A LYS 34.A NZ ASP 38.A OD1 no hydrogen 2.644 N/A LYS 34.A NZ ASP 38.A OD2 no hydrogen 3.442 N/A ALA 35.A N ASP 33.A OD1 no hydrogen 2.877 N/A LEU 37.A N ASP 33.A O no hydrogen 2.849 N/A ASP 38.A N LYS 34.A O no hydrogen 2.843 N/A GLN 39.A N ALA 35.A O no hydrogen 3.162 N/A ALA 40.A N PHE 36.A O no hydrogen 3.058 N/A GLY 41.A N LEU 37.A O no hydrogen 3.176 N/A GLN 42.A N ASP 38.A O no hydrogen 3.224 N/A GLN 42.A NE2 GLN 39.A OE1 no hydrogen 3.006 N/A GLN 42.A NE2 ARG 244.A O no hydrogen 3.115 N/A LEU 43.A N GLN 39.A O no hydrogen 2.902 N/A GLN 44.A N ALA 40.A O no hydrogen 2.920 N/A GLN 44.A NE2 PRO 54.A O no hydrogen 2.712 N/A GLN 44.A NE2 LEU 55.A O no hydrogen 3.136 N/A GLN 45.A N GLY 41.A O no hydrogen 3.002 N/A MET 46.A N GLN 42.A O no hydrogen 2.724 N/A LEU 47.A N LEU 43.A O no hydrogen 2.840 N/A SER 48.A N GLN 44.A O no hydrogen 2.908 N/A SER 48.A OG LEU 53.A O no hydrogen 2.359 N/A ALA 49.A N GLN 45.A O no hydrogen 3.053 N/A GLY 50.A N MET 46.A O no hydrogen 3.146 N/A THR 51.A N LEU 47.A O no hydrogen 3.005 N/A THR 51.A OG1 LEU 47.A O no hydrogen 2.739 N/A GLY 52.A N SER 48.A O no hydrogen 2.800 N/A LEU 53.A N THR 51.A OG1 no hydrogen 3.164 N/A LYS 58.A N ILE 27.A O no hydrogen 3.123 N/A LYS 66.A N SER 64.A OG no hydrogen 2.942 N/A ALA 67.A N SER 64.A O no hydrogen 3.496 N/A CYS 69.A SG ALA 67.A O no hydrogen 3.859 N/A ILE 70.A N LEU 26.A O no hydrogen 2.829 N/A VAL 71.A N ILE 95.A O no hydrogen 2.844 N/A ILE 72.A N ILE 28.A O no hydrogen 2.787 N/A LYS 73.A N LEU 97.A O no hydrogen 2.866 N/A LYS 74.A NZ ASP 33.A OD2 no hydrogen 2.696 N/A ASP 75.A N ALA 99.A O no hydrogen 2.987 N/A ALA 77.A N ASP 75.A OD1 no hydrogen 3.120 N/A ALA 79.A N PRO 76.A O no hydrogen 2.969 N/A ARG 81.A N LEU 78.A O no hydrogen 3.089 N/A GLY 82.A N ALA 79.A O no hydrogen 2.965 N/A ALA 85.A N GLY 82.A O no hydrogen 3.236 N/A TYR 86.A N ASP 143.A O no hydrogen 2.891 N/A TYR 86.A OH ASP 143.A OD2 no hydrogen 2.745 N/A SER 87.A N SER 98.A O no hydrogen 2.773 N/A SER 87.A OG ILE 141.A O no hydrogen 3.264 N/A ILE 88.A N ILE 141.A O no hydrogen 2.793 N/A GLN 89.A N ILE 96.A O no hydrogen 2.972 N/A SER 90.A N PHE 139.A O no hydrogen 3.030 N/A SER 91.A N GLY 94.A O no hydrogen 3.083 N/A SER 91.A OG SER 93.A OG no hydrogen 3.199 N/A SER 93.A N SER 91.A OG no hydrogen 3.244 N/A SER 93.A OG SER 91.A OG no hydrogen 3.199 N/A GLY 94.A N SER 91.A O no hydrogen 2.882 N/A ILE 95.A N CYS 69.A O no hydrogen 2.725 N/A ILE 96.A N GLN 89.A O no hydrogen 2.782 N/A LEU 97.A N VAL 71.A O no hydrogen 2.739 N/A SER 98.A N SER 87.A O no hydrogen 2.982 N/A ALA 99.A N LYS 73.A O no hydrogen 3.299 N/A ARG 103.A N ASP 101.A OD1 no hydrogen 2.726 N/A GLY 104.A N ASP 101.A O no hydrogen 3.075 N/A ILE 105.A N ALA 102.A O no hydrogen 2.954 N/A TYR 107.A N ARG 103.A O no hydrogen 3.387 N/A TYR 107.A OH GLU 84.A OE2 no hydrogen 3.419 N/A ALA 108.A N GLY 104.A O no hydrogen 2.866 N/A GLY 109.A N ILE 105.A O no hydrogen 2.971 N/A GLN 110.A N PHE 106.A O no hydrogen 3.079 N/A SER 111.A N TYR 107.A O no hydrogen 2.991 N/A SER 111.A OG TYR 86.A OH no hydrogen 2.501 N/A LEU 112.A N ALA 108.A O no hydrogen 2.934 N/A VAL 113.A N GLY 109.A O no hydrogen 3.024 N/A GLN 114.A N GLN 110.A O no hydrogen 3.190 N/A GLN 114.A NE2 ILE 5.A O no hydrogen 3.084 N/A GLN 114.A NE2 LEU 175.A O no hydrogen 2.914 N/A MET 115.A N SER 111.A O no hydrogen 3.128 N/A MET 115.A N LEU 112.A O no hydrogen 3.088 N/A MET 116.A N VAL 113.A O no hydrogen 3.051 N/A SER 118.A OG GLU 510.A OE1 no hydrogen 2.541 N/A PHE 120.A N PRO 117.A O no hydrogen 3.073 N/A HIS 121.A N SER 118.A O no hydrogen 3.047 N/A ASP 122.A N VAL 119.A O no hydrogen 2.844 N/A THR 124.A N ASP 122.A OD1 no hydrogen 3.172 N/A THR 124.A OG1 ASP 122.A OD1 no hydrogen 3.444 N/A LYS 127.A NZ GLY 50.A O no hydrogen 2.871 N/A LYS 127.A NZ VAL 119.A O no hydrogen 3.466 N/A LYS 127.A NZ PHE 120.A O no hydrogen 3.255 N/A LYS 127.A NZ ASP 122.A O no hydrogen 2.799 N/A SER 128.A N ASP 126.A OD1 no hydrogen 2.983 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 2.555 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 2.884 N/A VAL 130.A N LYS 127.A O no hydrogen 2.898 N/A ILE 134.A N ALA 19.A O no hydrogen 2.762 N/A SER 135.A N MET 115.A O no hydrogen 2.934 N/A THR 137.A OG1 GLN 1.A OE1 no hydrogen 3.560 N/A THR 137.A OG1 PHE 14.A O no hydrogen 3.142 N/A THR 137.A OG1 PRO 138.A O no hydrogen 2.763 N/A PHE 139.A N SER 90.A O no hydrogen 3.105 N/A ARG 140.A N THR 12.A O no hydrogen 2.841 N/A ILE 141.A N ILE 88.A O no hydrogen 2.779 N/A THR 142.A N GLU 10.A O no hydrogen 2.846 N/A ASP 143.A N TYR 86.A O no hydrogen 2.915 N/A TYR 144.A N ASP 143.A OD1 no hydrogen 2.892 N/A TYR 144.A OH GLU 10.A OE2 no hydrogen 2.618 N/A ARG 146.A N TRP 490.A O no hydrogen 2.784 N/A ARG 146.A NH1 GLU 442.A OE1 no hydrogen 3.011 N/A ARG 146.A NH1 GLU 442.A OE2 no hydrogen 3.357 N/A ARG 146.A NH2 GLU 442.A OE1 no hydrogen 3.569 N/A ARG 146.A NH2 GLU 442.A OE2 no hydrogen 2.926 N/A PHE 147.A N GLY 489.A O no hydrogen 3.013 N/A SER 148.A OG LYS 457.A O no hydrogen 3.488 N/A TRP 149.A N LYS 457.A O no hydrogen 3.041 N/A ARG 150.A N ASN 179.A OD1 no hydrogen 2.885 N/A ARG 150.A NE LYS 177.A O no hydrogen 2.920 N/A ARG 150.A NH1 GLU 84.A OE1 no hydrogen 3.108 N/A ARG 150.A NH1 PHE 147.A O no hydrogen 2.896 N/A ARG 150.A NH2 GLU 84.A OE2 no hydrogen 2.760 N/A ARG 150.A NH2 LYS 177.A O no hydrogen 2.741 N/A ALA 151.A N LEU 459.A O no hydrogen 3.003 N/A LEU 152.A N ILE 180.A O no hydrogen 2.946 N/A MET 153.A N ALA 461.A O no hydrogen 2.833 N/A ILE 154.A N HIS 182.A O no hydrogen 2.985 N/A ASP 155.A N VAL 463.A O no hydrogen 3.124 N/A GLU 156.A N HIS 184.A O no hydrogen 3.046 N/A ALA 157.A N HIS 184.A O no hydrogen 3.274 N/A ARG 158.A N ASP 155.A OD1 no hydrogen 2.954 N/A ARG 158.A NH1 ASP 155.A OD2 no hydrogen 3.072 N/A HIS 159.A N THR 465.A OG1 no hydrogen 3.385 N/A HIS 159.A ND1 THR 465.A O no hydrogen 2.777 N/A PHE 160.A N HIS 226.A NE2 no hydrogen 2.942 N/A PHE 161.A N GLU 156.A OE1 no hydrogen 2.865 N/A GLY 162.A N GLU 156.A OE1 no hydrogen 2.908 N/A ILE 166.A N GLY 162.A O no hydrogen 2.999 N/A LYS 167.A N GLU 163.A O no hydrogen 2.973 N/A LYS 167.A NZ GLU 163.A OE2 no hydrogen 3.014 N/A LYS 167.A NZ ASP 237.A OD1 no hydrogen 3.561 N/A LYS 167.A NZ ASP 237.A OD2 no hydrogen 3.188 N/A GLN 168.A N LYS 164.A O no hydrogen 3.114 N/A GLN 168.A NE2 MET 515.A O no hydrogen 3.083 N/A ILE 169.A N THR 165.A O no hydrogen 2.977 N/A ILE 170.A N ILE 166.A O no hydrogen 2.769 N/A ASP 171.A N LYS 167.A O no hydrogen 2.874 N/A GLN 172.A N GLN 168.A O no hydrogen 3.219 N/A MET 173.A N ILE 169.A O no hydrogen 2.910 N/A ALA 174.A N ILE 170.A O no hydrogen 2.849 N/A LEU 175.A N ASP 171.A O no hydrogen 3.059 N/A LEU 176.A N GLN 172.A O no hydrogen 3.051 N/A LYS 177.A N ALA 174.A O no hydrogen 3.000 N/A LYS 177.A NZ SER 111.A OG no hydrogen 2.774 N/A MET 178.A N MET 173.A O no hydrogen 2.936 N/A ASN 179.A N ARG 150.A O no hydrogen 2.973 N/A ASN 179.A ND2 GLU 84.A OE2 no hydrogen 3.049 N/A ASN 179.A ND2 SER 148.A O no hydrogen 2.830 N/A ILE 180.A N ARG 150.A O no hydrogen 3.206 N/A LEU 181.A N THR 248.A O no hydrogen 3.007 N/A HIS 182.A N LEU 152.A O no hydrogen 2.887 N/A HIS 182.A NE2 GLU 252.A OE1 no hydrogen 2.780 N/A TRP 183.A N VAL 250.A O no hydrogen 2.871 N/A TRP 183.A NE1 GLU 156.A OE2 no hydrogen 2.898 N/A HIS 184.A N ILE 154.A O no hydrogen 3.033 N/A HIS 184.A ND1 GLU 252.A OE1 no hydrogen 2.661 N/A HIS 184.A NE2 ASP 187.A OD2 no hydrogen 2.648 N/A ASP 187.A N GLY 190.A O no hydrogen 2.949 N/A ASP 188.A N ASP 187.A OD1 no hydrogen 2.740 N/A GLY 190.A N ASP 187.A O no hydrogen 3.496 N/A TRP 191.A N GLY 205.A O no hydrogen 3.094 N/A TRP 191.A NE1 ILE 193.A O no hydrogen 2.685 N/A ARG 192.A N LEU 185.A O no hydrogen 3.027 N/A ARG 192.A NE GLU 156.A O no hydrogen 2.982 N/A ARG 192.A NH1 SER 206.A O no hydrogen 3.273 N/A ARG 192.A NH1 GLY 228.A O no hydrogen 2.876 N/A ARG 192.A NH2 ALA 157.A O no hydrogen 2.920 N/A GLU 194.A N TYR 230.A O no hydrogen 3.165 N/A LYS 196.A N GLU 304.A OE1 no hydrogen 2.729 N/A LYS 197.A N GLU 304.A OE2 no hydrogen 3.005 N/A LYS 197.A NZ ASP 300.A OD2 no hydrogen 3.320 N/A TYR 198.A N ILE 195.A O no hydrogen 3.157 N/A TYR 198.A OH ASP 300.A OD2 no hydrogen 2.771 N/A ARG 200.A N TYR 266.A OH no hydrogen 3.007 N/A LEU 201.A N TYR 198.A O no hydrogen 3.252 N/A THR 202.A N PRO 199.A O no hydrogen 3.352 N/A THR 202.A OG1 PRO 199.A O no hydrogen 3.249 N/A SER 203.A N PRO 199.A O no hydrogen 2.927 N/A SER 203.A OG PRO 199.A O no hydrogen 3.370 N/A ILE 204.A N ARG 200.A O no hydrogen 2.867 N/A GLY 205.A N ARG 200.A O no hydrogen 3.156 N/A SER 206.A N THR 202.A O no hydrogen 3.362 N/A SER 206.A OG THR 202.A O no hydrogen 2.501 N/A LYS 207.A N ILE 204.A O no hydrogen 3.119 N/A LYS 207.A NZ GLU 227.A OE1 no hydrogen 2.576 N/A ARG 208.A N HIS 226.A O no hydrogen 3.049 N/A ARG 208.A NE SER 211.A OG no hydrogen 3.000 N/A ARG 208.A NH1 ARG 158.A O no hydrogen 2.957 N/A ARG 208.A NH1 THR 189.A O no hydrogen 2.780 N/A ARG 208.A NH2 ARG 158.A O no hydrogen 2.573 N/A ARG 208.A NH2 SER 211.A OG no hydrogen 3.037 N/A ARG 209.A NE GLU 276.A OE2 no hydrogen 3.163 N/A ARG 209.A NH2 GLU 276.A OE2 no hydrogen 3.234 N/A SER 211.A N ASP 222.A OD1 no hydrogen 2.869 N/A GLU 212.A N THR 279.A O no hydrogen 2.908 N/A ILE 213.A N LYS 220.A O no hydrogen 3.064 N/A THR 215.A N ILE 213.A O no hydrogen 3.093 N/A ASN 217.A N GLU 212.A OE2 no hydrogen 2.948 N/A SER 218.A N THR 215.A O no hydrogen 3.201 N/A SER 218.A OG ILE 213.A O no hydrogen 2.695 N/A SER 218.A OG THR 215.A O no hydrogen 3.354 N/A LYS 220.A N SER 218.A OG no hydrogen 3.011 N/A SER 221.A OG GLU 210.A OE1 no hydrogen 2.650 N/A SER 221.A OG SER 211.A O no hydrogen 3.366 N/A ASP 222.A N SER 211.A O no hydrogen 2.989 N/A GLY 223.A N SER 221.A OG no hydrogen 3.352 N/A THR 224.A N ASP 222.A OD1 no hydrogen 2.924 N/A THR 224.A OG1 ASP 222.A O no hydrogen 3.002 N/A HIS 226.A N ARG 208.A O no hydrogen 3.028 N/A GLY 228.A N SER 206.A O no hydrogen 3.195 N/A TYR 230.A N ARG 192.A O no hydrogen 2.786 N/A TYR 230.A OH GLU 156.A OE1 no hydrogen 3.129 N/A TYR 230.A OH GLU 156.A OE2 no hydrogen 2.580 N/A THR 231.A N GLN 234.A OE1 no hydrogen 3.044 N/A GLN 232.A N GLU 194.A OE2 no hydrogen 3.096 N/A GLN 232.A NE2 GLU 194.A O no hydrogen 3.057 N/A GLN 232.A NE2 GLU 304.A OE1 no hydrogen 2.797 N/A GLN 234.A N THR 231.A OG1 no hydrogen 3.147 N/A ILE 235.A N THR 231.A O no hydrogen 2.982 N/A ARG 236.A N GLN 232.A O no hydrogen 3.008 N/A ASP 237.A N GLU 233.A O no hydrogen 2.978 N/A ILE 238.A N GLN 234.A O no hydrogen 2.856 N/A VAL 239.A N ILE 235.A O no hydrogen 2.774 N/A GLN 240.A N ARG 236.A O no hydrogen 3.123 N/A TYR 241.A N ASP 237.A O no hydrogen 2.841 N/A TYR 241.A OH ASP 171.A OD1 no hydrogen 2.691 N/A TYR 241.A OH ASP 171.A OD2 no hydrogen 3.200 N/A ALA 242.A N ILE 238.A O no hydrogen 2.798 N/A ALA 243.A N VAL 239.A O no hydrogen 2.863 N/A ARG 244.A N GLN 240.A O no hydrogen 2.973 N/A ARG 245.A N ALA 242.A O no hydrogen 2.959 N/A ARG 245.A NH1 TYR 241.A O no hydrogen 2.919 N/A ASN 246.A N ALA 243.A O no hydrogen 3.123 N/A ASN 246.A ND2 ARG 103.A O no hydrogen 2.839 N/A ILE 247.A N ALA 242.A O no hydrogen 2.951 N/A THR 248.A N ASN 179.A O no hydrogen 2.983 N/A VAL 250.A N LEU 181.A O no hydrogen 2.732 N/A GLU 252.A N TRP 183.A O no hydrogen 2.978 N/A ILE 253.A N HIS 315.A O no hydrogen 2.950 N/A GLU 254.A N THR 186.A OG1 no hydrogen 2.847 N/A MET 255.A N ILE 316.A O no hydrogen 3.207 N/A HIS 258.A N ASN 284.A OD1 no hydrogen 2.851 N/A HIS 258.A ND1 ASP 187.A OD1 no hydrogen 2.779 N/A ALA 259.A N THR 285.A O no hydrogen 2.968 N/A SER 260.A N ASP 188.A OD1 no hydrogen 2.983 N/A SER 260.A OG ASP 188.A OD1 no hydrogen 2.609 N/A SER 260.A OG THR 285.A OG1 no hydrogen 2.713 N/A ALA 263.A N ALA 259.A O no hydrogen 3.104 N/A VAL 264.A N SER 260.A O no hydrogen 2.889 N/A ALA 265.A N ALA 261.A O no hydrogen 3.107 N/A TYR 266.A N ALA 262.A O no hydrogen 3.001 N/A LEU 269.A N TYR 266.A O no hydrogen 3.130 N/A SER 270.A N PRO 267.A O no hydrogen 3.344 N/A SER 270.A OG ALA 286.A O no hydrogen 2.799 N/A LYS 272.A N SER 270.A OG no hydrogen 3.133 N/A LYS 272.A NZ LYS 325.A O no hydrogen 2.979 N/A THR 273.A OG1 PRO 267.A O no hydrogen 2.887 N/A THR 273.A OG1 SER 270.A O no hydrogen 3.367 N/A PHE 281.A N GLU 212.A OE1 no hydrogen 3.022 N/A ASN 284.A ND2 GLU 320.A O no hydrogen 2.885 N/A THR 285.A N ASP 188.A OD1 no hydrogen 2.888 N/A THR 285.A OG1 SER 260.A OG no hydrogen 2.713 N/A ALA 286.A N GLN 326.A OE1 no hydrogen 2.914 N/A PHE 287.A N PRO 256.A O no hydrogen 2.760 N/A ASP 288.A N LEU 269.A O no hydrogen 2.652 N/A THR 290.A N ASP 288.A OD1 no hydrogen 2.958 N/A THR 290.A OG1 ASP 288.A OD1 no hydrogen 2.801 N/A THR 290.A OG1 ASP 288.A OD2 no hydrogen 3.548 N/A LYS 293.A N SER 291.A OG no hydrogen 3.087 N/A THR 294.A N SER 291.A O no hydrogen 3.269 N/A THR 294.A OG1 ASP 288.A O no hydrogen 2.611 N/A TYR 295.A OH PRO 289.A O no hydrogen 2.769 N/A ALA 296.A N GLU 292.A O no hydrogen 3.116 N/A PHE 297.A N LYS 293.A O no hydrogen 3.005 N/A LEU 298.A N THR 294.A O no hydrogen 2.940 N/A SER 299.A N TYR 295.A O no hydrogen 2.861 N/A ASP 300.A N ALA 296.A O no hydrogen 2.983 N/A VAL 301.A N PHE 297.A O no hydrogen 2.985 N/A LEU 302.A N LEU 298.A O no hydrogen 2.896 N/A ASP 303.A N SER 299.A O no hydrogen 3.008 N/A GLU 304.A N ASP 300.A O no hydrogen 3.385 N/A VAL 305.A N VAL 301.A O no hydrogen 3.014 N/A THR 306.A N LEU 302.A O no hydrogen 2.769 N/A THR 306.A OG1 LEU 302.A O no hydrogen 2.366 N/A ALA 307.A N ASP 303.A O no hydrogen 3.083 N/A ALA 307.A N GLU 304.A O no hydrogen 3.157 N/A ILE 308.A N GLU 304.A O no hydrogen 3.295 N/A ILE 308.A N VAL 305.A O no hydrogen 3.274 N/A PHE 309.A N VAL 305.A O no hydrogen 2.884 N/A ILE 314.A N ARG 366.A O no hydrogen 2.905 N/A HIS 315.A N PRO 251.A O no hydrogen 2.993 N/A HIS 315.A NE2 GLN 397.A OE1 no hydrogen 2.875 N/A ILE 316.A N MET 368.A O no hydrogen 2.877 N/A GLY 317.A N HIS 315.A ND1 no hydrogen 2.976 N/A GLU 320.A N GLU 372.A OE2 no hydrogen 3.125 N/A ARG 322.A NH1 ASP 381.A OD2 no hydrogen 2.645 N/A TYR 323.A OH GLN 349.A OE1 no hydrogen 2.483 N/A ASP 324.A N ASP 381.A O no hydrogen 3.227 N/A LYS 325.A N ARG 322.A O no hydrogen 3.129 N/A GLN 326.A N ARG 322.A O no hydrogen 2.913 N/A GLN 326.A N TYR 323.A O no hydrogen 3.403 N/A TRP 327.A N TYR 323.A O no hydrogen 3.010 N/A TRP 327.A NE1 PHE 287.A O no hydrogen 3.232 N/A LYS 328.A N TYR 323.A O no hydrogen 3.067 N/A GLY 329.A N GLU 334.A OE2 no hydrogen 3.343 N/A VAL 330.A N TRP 327.A O no hydrogen 3.056 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.672 N/A GLU 334.A N VAL 330.A O no hydrogen 3.069 N/A GLU 335.A N PRO 331.A O no hydrogen 3.022 N/A PHE 336.A N GLU 332.A O no hydrogen 3.067 N/A MET 337.A N ILE 333.A O no hydrogen 2.860 N/A LYS 338.A N GLU 334.A O no hydrogen 3.034 N/A LYS 339.A N GLU 335.A O no hydrogen 2.761 N/A ASN 340.A N PHE 336.A O no hydrogen 2.967 N/A ASN 340.A N MET 337.A O no hydrogen 3.202 N/A ASN 340.A ND2 PHE 336.A O no hydrogen 2.827 N/A GLY 341.A N LYS 338.A O no hydrogen 3.235 N/A MET 342.A N MET 337.A O no hydrogen 2.847 N/A LYS 343.A N ASP 347.A OD2 no hydrogen 3.041 N/A SER 344.A N ASP 347.A OD2 no hydrogen 3.012 N/A SER 344.A OG ASP 347.A OD2 no hydrogen 3.353 N/A SER 344.A OG GLY 383.A O no hydrogen 3.311 N/A SER 344.A OG LYS 385.A O no hydrogen 2.818 N/A TYR 345.A OH GLU 334.A OE2 no hydrogen 2.651 N/A ALA 346.A N GLY 383.A O no hydrogen 2.861 N/A ASP 347.A N SER 344.A O no hydrogen 2.974 N/A GLN 349.A N TYR 345.A O no hydrogen 3.184 N/A GLN 349.A NE2 GLY 318.A O no hydrogen 2.851 N/A MET 350.A N ALA 346.A O no hydrogen 2.936 N/A HIS 351.A N ASP 347.A O no hydrogen 3.010 N/A PHE 352.A N VAL 348.A O no hydrogen 3.005 N/A THR 353.A N GLN 349.A O no hydrogen 2.664 N/A THR 353.A OG1 GLN 349.A O no hydrogen 2.850 N/A ASN 354.A N MET 350.A O no hydrogen 2.904 N/A ASN 354.A ND2 LYS 389.A O no hydrogen 3.130 N/A ARG 355.A N HIS 351.A O no hydrogen 3.065 N/A ARG 355.A NH2 GLU 292.A OE1 no hydrogen 2.597 N/A MET 356.A N PHE 352.A O no hydrogen 2.835 N/A SER 357.A N THR 353.A O no hydrogen 2.755 N/A SER 357.A OG ASP 391.A OD2 no hydrogen 2.348 N/A GLY 358.A N ASN 354.A O no hydrogen 3.296 N/A ILE 359.A N ARG 355.A O no hydrogen 3.096 N/A ILE 360.A N MET 356.A O no hydrogen 2.930 N/A ALA 361.A N SER 357.A O no hydrogen 2.977 N/A GLN 362.A N GLY 358.A O no hydrogen 2.932 N/A LYS 363.A N ILE 360.A O no hydrogen 3.094 N/A LYS 363.A NZ SER 299.A O no hydrogen 3.243 N/A LYS 363.A NZ SER 299.A OG no hydrogen 2.793 N/A LYS 363.A NZ ASP 303.A OD1 no hydrogen 2.661 N/A GLY 364.A N ALA 361.A O no hydrogen 2.999 N/A ARG 365.A N ILE 360.A O no hydrogen 3.225 N/A ARG 365.A NH2 PHE 309.A O no hydrogen 3.071 N/A ARG 366.A N ARG 312.A O no hydrogen 2.885 N/A ARG 366.A NE ASN 393.A O no hydrogen 2.835 N/A ARG 366.A NH2 ASN 393.A O no hydrogen 3.391 N/A ARG 366.A NH2 ASP 415.A OD2 no hydrogen 2.660 N/A MET 368.A N ILE 314.A O no hydrogen 3.006 N/A GLY 369.A N VAL 395.A O no hydrogen 2.881 N/A TRP 370.A N GLY 317.A O no hydrogen 2.840 N/A TRP 370.A NE1 GLU 252.A OE2 no hydrogen 2.988 N/A ASN 371.A ND2 LYS 400.A O no hydrogen 3.041 N/A GLU 372.A N GLU 372.A OE1 no hydrogen 2.888 N/A ILE 373.A N TRP 370.A O no hydrogen 2.964 N/A TYR 374.A N ASN 371.A O no hydrogen 2.844 N/A TYR 374.A OH ASP 412.A OD2 no hydrogen 2.519 N/A GLY 375.A N GLU 372.A O no hydrogen 3.031 N/A ASN 379.A ND2 GLU 372.A OE2 no hydrogen 2.820 N/A GLY 380.A N ASP 377.A OD1 no hydrogen 3.244 N/A LYS 385.A NZ ALA 386.A O no hydrogen 3.123 N/A ALA 386.A N GLY 375.A O no hydrogen 2.853 N/A GLY 387.A N ASP 347.A OD1 no hydrogen 2.747 N/A ASP 391.A N ASN 354.A OD1 no hydrogen 2.835 N/A ASN 393.A N ASP 391.A OD1 no hydrogen 3.003 N/A ALA 394.A N ASP 391.A O no hydrogen 3.041 N/A VAL 395.A N MET 367.A O no hydrogen 2.901 N/A ILE 396.A N ASP 415.A O no hydrogen 3.103 N/A GLN 397.A N GLY 369.A O no hydrogen 2.787 N/A GLN 397.A NE2 SER 419.A OG no hydrogen 2.927 N/A PHE 398.A N ILE 417.A O no hydrogen 2.917 N/A TRP 399.A N ASN 371.A OD1 no hydrogen 2.840 N/A TRP 399.A NE1 GLU 372.A OE1 no hydrogen 3.010 N/A LYS 400.A N ASN 371.A OD1 no hydrogen 3.321 N/A LYS 400.A NZ ASN 379.A OD1 no hydrogen 2.790 N/A SER 404.A N ASN 402.A OD1 no hydrogen 2.767 N/A SER 404.A OG ASN 402.A OD1 no hydrogen 3.057 N/A LEU 405.A N ASN 402.A O no hydrogen 2.896 N/A LYS 407.A N THR 403.A O no hydrogen 2.974 N/A LYS 407.A NZ PRO 446.A O no hydrogen 3.022 N/A ASN 408.A N SER 404.A O no hydrogen 2.893 N/A ALA 409.A N LEU 405.A O no hydrogen 3.150 N/A ILE 410.A N ALA 406.A O no hydrogen 2.998 N/A ARG 411.A N LYS 407.A O no hydrogen 2.856 N/A ARG 411.A NE GLU 449.A OE1 no hydrogen 3.118 N/A ARG 411.A NH2 GLU 449.A OE1 no hydrogen 3.012 N/A ASP 412.A N ASN 408.A O no hydrogen 2.977 N/A ASP 412.A N ALA 409.A O no hydrogen 3.017 N/A GLY 413.A N ILE 410.A O no hydrogen 2.813 N/A HIS 414.A N ALA 409.A O no hydrogen 3.199 N/A HIS 414.A ND1 ALA 394.A O no hydrogen 3.003 N/A VAL 416.A N ARG 455.A O no hydrogen 2.889 N/A ILE 417.A N ILE 396.A O no hydrogen 2.916 N/A ASN 418.A N GLY 458.A O no hydrogen 3.000 N/A ASN 418.A ND2 PRO 443.A O no hydrogen 2.737 N/A SER 419.A N PHE 398.A O no hydrogen 2.772 N/A SER 419.A OG GLY 460.A O no hydrogen 2.856 N/A SER 419.A OG GLN 462.A OE1 no hydrogen 3.337 N/A LEU 420.A N ASN 418.A OD1 no hydrogen 3.127 N/A HIS 421.A N TRP 399.A O no hydrogen 2.860 N/A HIS 421.A ND1 TYR 428.A OH no hydrogen 3.058 N/A SER 423.A N LEU 420.A O no hydrogen 2.887 N/A THR 424.A N LEU 420.A O no hydrogen 2.999 N/A THR 424.A OG1 SER 419.A O no hydrogen 2.786 N/A THR 424.A OG1 LEU 420.A O no hydrogen 3.208 N/A LEU 426.A N GLN 462.A O no hydrogen 2.707 N/A TYR 428.A N TYR 425.A O no hydrogen 3.018 N/A TYR 428.A OH HIS 421.A ND1 no hydrogen 3.058 N/A SER 429.A OG SER 432.A OG no hydrogen 3.347 N/A TYR 430.A OH TYR 476.A O no hydrogen 2.665 N/A SER 432.A N SER 429.A OG no hydrogen 3.108 N/A SER 432.A OG SER 429.A OG no hydrogen 3.347 N/A ILE 433.A N SER 429.A O no hydrogen 2.929 N/A LYS 437.A NZ THR 422.A O no hydrogen 3.127 N/A ALA 438.A N PRO 434.A O no hydrogen 3.165 N/A TYR 439.A N LEU 435.A O no hydrogen 3.028 N/A TYR 439.A OH GLU 487.A OE2 no hydrogen 2.634 N/A GLY 440.A N GLN 436.A O no hydrogen 2.941 N/A PHE 441.A N ALA 438.A O no hydrogen 3.158 N/A VAL 444.A N GLU 442.A OE2 no hydrogen 2.959 N/A LEU 448.A N PHE 445.A O no hydrogen 3.187 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.611 N/A TYR 452.A N GLU 449.A O no hydrogen 3.021 N/A HIS 453.A N LYS 450.A O no hydrogen 2.985 N/A HIS 453.A NE2 LEU 448.A O no hydrogen 2.688 N/A ARG 455.A N TYR 452.A O no hydrogen 3.010 N/A ARG 455.A NH1 ASP 415.A OD1 no hydrogen 3.291 N/A VAL 456.A N HIS 453.A O no hydrogen 3.028 N/A LYS 457.A N VAL 416.A O no hydrogen 2.986 N/A LYS 457.A NZ SER 454.A O no hydrogen 3.126 N/A LEU 459.A N TRP 149.A O no hydrogen 2.997 N/A GLY 460.A N ASN 418.A O no hydrogen 3.445 N/A ALA 461.A N ALA 151.A O no hydrogen 3.056 N/A GLN 462.A N THR 424.A O no hydrogen 2.908 N/A GLN 462.A NE2 GLY 460.A O no hydrogen 3.101 N/A VAL 463.A N MET 153.A O no hydrogen 2.860 N/A THR 465.A N ASP 155.A OD2 no hydrogen 3.035 N/A THR 465.A OG1 ASP 155.A O no hydrogen 2.645 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 2.896 N/A ILE 468.A N THR 465.A O no hydrogen 3.352 N/A ARG 473.A N THR 470.A OG1 no hydrogen 3.234 N/A ARG 473.A NH2 GLN 477.A OE1 no hydrogen 3.041 N/A LEU 474.A N THR 470.A O no hydrogen 3.016 N/A HIS 475.A N PRO 471.A O no hydrogen 2.885 N/A TYR 476.A N GLU 472.A O no hydrogen 2.986 N/A GLN 477.A N ARG 473.A O no hydrogen 3.069 N/A GLN 477.A NE2 LEU 426.A O no hydrogen 2.831 N/A GLN 477.A NE2 TYR 428.A O no hydrogen 3.137 N/A ALA 478.A N LEU 474.A O no hydrogen 2.825 N/A PHE 479.A N HIS 475.A O no hydrogen 2.970 N/A ARG 481.A NH1 TYR 428.A O no hydrogen 3.184 N/A ARG 481.A NH1 SER 429.A O no hydrogen 3.226 N/A ARG 481.A NH1 ILE 433.A O no hydrogen 2.947 N/A ARG 481.A NH2 TYR 428.A O no hydrogen 2.990 N/A ARG 481.A NH2 GLN 477.A O no hydrogen 2.971 N/A ALA 482.A N ALA 478.A O no hydrogen 2.882 N/A ALA 484.A N PRO 480.A O no hydrogen 3.404 N/A PHE 485.A N ARG 481.A O no hydrogen 2.999 N/A ALA 486.A N ALA 482.A O no hydrogen 2.927 N/A GLU 487.A N CYS 483.A O no hydrogen 3.269 N/A VAL 488.A N ALA 484.A O no hydrogen 2.926 N/A GLY 489.A N PHE 485.A O no hydrogen 2.971 N/A TRP 490.A N ALA 486.A O no hydrogen 3.122 N/A TRP 490.A N GLU 487.A O no hydrogen 3.152 N/A TRP 490.A NE1 ASP 143.A OD1 no hydrogen 2.722 N/A THR 491.A N GLU 487.A O no hydrogen 2.859 N/A THR 491.A OG1 LYS 7.A O no hydrogen 2.740 N/A THR 491.A OG1 GLU 487.A O no hydrogen 3.496 N/A LYS 495.A N PRO 492.A O no hydrogen 2.853 N/A LYS 495.A NZ PRO 8.A O no hydrogen 3.295 N/A LYS 495.A NZ ALA 9.A O no hydrogen 2.880 N/A LYS 496.A N ALA 493.A O no hydrogen 3.227 N/A LYS 496.A NZ TYR 439.A O no hydrogen 2.729 N/A LYS 496.A NZ PHE 441.A O no hydrogen 3.188 N/A ASP 497.A N TYR 439.A OH no hydrogen 2.802 N/A ASP 500.A N ASP 497.A OD1 no hydrogen 3.089 N/A PHE 501.A N ASP 497.A O no hydrogen 2.814 N/A LYS 502.A N PHE 498.A O no hydrogen 2.845 N/A LYS 502.A NZ SER 525.A O no hydrogen 2.835 N/A LYS 502.A NZ ASP 528.A OD2 no hydrogen 2.868 N/A LYS 502.A NZ ASP 531.A OD1 no hydrogen 3.456 N/A LYS 502.A NZ ASP 531.A OD2 no hydrogen 2.703 N/A LYS 503.A N PRO 499.A O no hydrogen 3.164 N/A ARG 504.A N ASP 500.A O no hydrogen 2.980 N/A ARG 504.A NE ASP 500.A OD2 no hydrogen 2.726 N/A ARG 504.A NH1 ILE 4.A O no hydrogen 2.879 N/A ARG 504.A NH1 GLU 487.A OE1 no hydrogen 2.785 N/A ARG 504.A NH2 GLU 487.A OE1 no hydrogen 3.355 N/A ARG 504.A NH2 GLU 487.A OE2 no hydrogen 2.728 N/A ARG 504.A NH2 ASP 500.A OD2 no hydrogen 3.262 N/A LEU 505.A N PHE 501.A O no hydrogen 2.854 N/A LYS 506.A N LYS 503.A O no hydrogen 3.071 N/A LYS 506.A NZ LYS 503.A O no hydrogen 3.537 N/A TYR 508.A N ARG 504.A O no hydrogen 3.035 N/A TYR 508.A OH GLN 172.A OE1 no hydrogen 2.924 N/A SER 509.A N LEU 505.A O no hydrogen 2.806 N/A SER 509.A OG LEU 505.A O no hydrogen 3.203 N/A SER 509.A OG LYS 506.A O no hydrogen 2.769 N/A GLU 510.A N ALA 507.A O no hydrogen 2.986 N/A ARG 511.A NH1 HIS 121.A NE2 no hydrogen 2.975 N/A ARG 511.A NH2 MET 116.A O no hydrogen 3.011 N/A MET 512.A N TYR 508.A O no hydrogen 3.045 N/A ASP 513.A N SER 509.A O no hydrogen 2.882 N/A LEU 514.A N GLU 510.A O no hydrogen 3.004 N/A MET 515.A N ARG 511.A O no hydrogen 2.850 N/A MET 515.A N MET 512.A O no hydrogen 3.134 N/A GLY 516.A N ASP 513.A O no hydrogen 3.006 N/A ILE 517.A N MET 512.A O no hydrogen 2.879 N/A LYS 518.A N HIS 475.A ND1 no hydrogen 3.026 N/A ALA 520.A N PHE 479.A O no hydrogen 3.083 N/A ARG 521.A NH1 ASP 513.A OD1 no hydrogen 2.935 N/A ARG 521.A NH2 ASP 513.A OD2 no hydrogen 3.208 N/A SER 525.A OG ILE 527.A O no hydrogen 2.568 N/A ASP 528.A N ASP 531.A OD2 no hydrogen 3.074 N/A SER 530.A OG GLN 436.A OE1 no hydrogen 2.554 N/A ASP 531.A N ASP 528.A O no hydrogen 2.952 N/A PHE 532.A N LYS 529.A O no hydrogen 3.081 N/A PHE 533.A N SER 530.A O no hydrogen 3.225 N/A THR 535.A N PHE 532.A O no hydrogen 3.132 N/A ILE 538.A N VAL 641.A O no hydrogen 2.815 N/A TRP 541.A N GLY 639.A O no hydrogen 3.010 N/A TRP 541.A NE1 SER 637.A OG no hydrogen 2.937 N/A THR 542.A N THR 545.A OG1 no hydrogen 3.139 N/A THR 545.A N THR 542.A OG1 no hydrogen 3.411 N/A THR 545.A OG1 THR 542.A O no hydrogen 3.109 N/A LEU 546.A N THR 542.A O no hydrogen 3.139 N/A LEU 546.A N PRO 543.A O no hydrogen 3.180 N/A THR 547.A N ALA 544.A O no hydrogen 3.406 N/A THR 547.A OG1 ALA 544.A O no hydrogen 3.103 N/A ARG 548.A N THR 545.A O no hydrogen 3.386 N/A HIS 551.A N ALA 627.A O no hydrogen 2.971 N/A HIS 551.A ND1 ALA 627.A O no hydrogen 3.197 N/A HIS 551.A NE2 THR 545.A O no hydrogen 2.969 N/A PHE 553.A N VAL 625.A O no hydrogen 2.827 N/A VAL 555.A N TYR 623.A O no hydrogen 2.997 N/A THR 556.A N ASP 554.A OD1 no hydrogen 3.061 N/A THR 556.A OG1 ASP 554.A OD1 no hydrogen 2.680 N/A THR 556.A OG1 TYR 623.A O no hydrogen 3.282 N/A LEU 558.A N VAL 555.A O no hydrogen 2.798 N/A GLY 563.A N ALA 614.A O no hydrogen 3.020 N/A LYS 564.A NZ ASN 613.A OD1 no hydrogen 3.150 N/A HIS 565.A N LEU 612.A O no hydrogen 2.730 N/A THR 566.A N GLU 644.A O no hydrogen 3.276 N/A THR 566.A OG1 GLU 644.A OE1 no hydrogen 3.569 N/A VAL 567.A N TYR 610.A O no hydrogen 2.676 N/A THR 568.A N TYR 642.A O no hydrogen 3.023 N/A LEU 569.A N ILE 608.A O no hydrogen 3.061 N/A LEU 570.A N THR 640.A O no hydrogen 2.928 N/A TYR 571.A N SER 601.A OG no hydrogen 2.861 N/A TYR 571.A OH GLY 574.A O no hydrogen 2.529 N/A ASP 572.A N HIS 638.A O no hydrogen 2.660 N/A LYS 573.A N HIS 638.A O no hydrogen 3.123 N/A ALA 575.A N ASP 636.A OD2 no hydrogen 2.865 N/A HIS 576.A N ASP 636.A O no hydrogen 2.911 N/A ILE 578.A N SER 601.A O no hydrogen 3.110 N/A GLU 579.A N LYS 630.A O no hydrogen 2.734 N/A ILE 580.A N GLY 599.A O no hydrogen 2.715 N/A GLU 581.A N ASN 628.A O no hydrogen 2.823 N/A SER 582.A OG GLU 581.A OE1 no hydrogen 2.837 N/A VAL 583.A N ASP 595.A O no hydrogen 3.105 N/A ALA 584.A N LYS 626.A O no hydrogen 2.718 N/A LEU 585.A N SER 593.A O no hydrogen 2.768 N/A TYR 586.A N THR 624.A O no hydrogen 2.807 N/A GLU 587.A N ARG 590.A O no hydrogen 2.777 N/A ASN 588.A N THR 622.A O no hydrogen 2.786 N/A ARG 590.A N GLU 587.A O no hydrogen 2.955 N/A ARG 590.A NH1 SER 589.A O no hydrogen 2.885 N/A VAL 592.A N LEU 585.A O no hydrogen 2.863 N/A SER 593.A N LEU 585.A O no hydrogen 3.344 N/A ARG 594.A NE GLU 591.A OE1 no hydrogen 2.858 N/A ARG 594.A NH1 SER 582.A OG no hydrogen 2.995 N/A ARG 594.A NH2 GLU 591.A OE1 no hydrogen 2.853 N/A ASP 595.A N VAL 583.A O no hydrogen 2.841 N/A HIS 597.A ND1 ASP 595.A OD1 no hydrogen 2.823 N/A HIS 597.A NE2 ASN 607.A O no hydrogen 2.952 N/A GLY 599.A N ILE 580.A O no hydrogen 2.757 N/A ARG 600.A N GLU 606.A O no hydrogen 3.001 N/A ARG 600.A NH2 GLU 579.A OE2 no hydrogen 3.322 N/A SER 601.A N ILE 578.A O no hydrogen 3.038 N/A SER 601.A OG LEU 569.A O no hydrogen 2.709 N/A GLY 602.A N HIS 604.A O no hydrogen 2.852 N/A LYS 605.A NZ ALA 603.A O no hydrogen 3.462 N/A GLU 606.A N ARG 600.A O no hydrogen 2.897 N/A GLN 609.A NE2 THR 568.A OG1 no hydrogen 2.897 N/A TYR 610.A N VAL 567.A O no hydrogen 2.720 N/A TYR 610.A OH HIS 597.A O no hydrogen 2.792 N/A ILE 611.A N ASP 595.A OD2 no hydrogen 2.914 N/A LEU 612.A N HIS 565.A O no hydrogen 2.725 N/A ASN 613.A N SER 593.A OG no hydrogen 2.985 N/A ALA 614.A N GLY 563.A O no hydrogen 2.753 N/A ARG 618.A N TYR 623.A OH no hydrogen 2.929 N/A ALA 621.A N ARG 618.A O no hydrogen 3.134 N/A THR 622.A N ASN 588.A OD1 no hydrogen 3.169 N/A TYR 623.A N THR 556.A OG1 no hydrogen 2.954 N/A TYR 623.A OH GLU 587.A OE1 no hydrogen 2.593 N/A THR 624.A N TYR 586.A O no hydrogen 3.088 N/A VAL 625.A N PHE 553.A O no hydrogen 2.840 N/A LYS 626.A N ALA 584.A O no hydrogen 2.882 N/A LYS 626.A NZ SER 552.A OG no hydrogen 3.021 N/A ALA 627.A N HIS 551.A O no hydrogen 2.836 N/A ASN 628.A N SER 582.A O no hydrogen 2.826 N/A ASN 628.A ND2 GLU 581.A OE1 no hydrogen 3.225 N/A PHE 629.A N GLU 549.A O no hydrogen 2.931 N/A LYS 630.A N GLU 579.A O no hydrogen 3.076 N/A ALA 632.A N ALA 577.A O no hydrogen 2.702 N/A ARG 635.A NE PRO 543.A O no hydrogen 3.362 N/A ARG 635.A NH2 PRO 543.A O no hydrogen 3.061 N/A ASP 636.A N HIS 576.A ND1 no hydrogen 3.233 N/A SER 637.A OG HIS 576.A O no hydrogen 2.839 N/A HIS 638.A N LYS 573.A O no hydrogen 2.743 N/A GLY 639.A N TRP 541.A O no hydrogen 3.105 N/A THR 640.A N LEU 570.A O no hydrogen 2.976 N/A THR 640.A OG1 ASP 572.A OD2 no hydrogen 2.604 N/A VAL 641.A N GLY 539.A O no hydrogen 2.801 N/A TYR 642.A N THR 568.A O no hydrogen 2.900 N/A PHE 643.A N PRO 536.A O no hydrogen 2.929 N/A GLU 644.A N THR 566.A O no hydrogen 2.983 N/A