Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aa2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ALA 1.A O no hydrogen 3.328 N/A GLU 6.A N LEU 2.A O no hydrogen 2.943 N/A ILE 7.A N VAL 3.A O no hydrogen 3.448 N/A GLN 8.A N LYS 4.A O no hydrogen 3.221 N/A ALA 9.A N GLU 5.A O no hydrogen 2.758 N/A LYS 10.A N GLU 6.A O no hydrogen 3.086 N/A GLU 11.A N ILE 7.A O no hydrogen 3.459 N/A TYR 12.A N GLN 8.A O no hydrogen 2.933 N/A LEU 13.A N ALA 9.A O no hydrogen 2.852 N/A GLU 14.A N LYS 10.A O no hydrogen 3.179 N/A ASN 15.A N GLU 11.A O no hydrogen 3.220 N/A LEU 16.A N TYR 12.A O no hydrogen 2.918 N/A ASN 17.A N LEU 13.A O no hydrogen 2.815 N/A ASN 17.A ND2 LEU 13.A O no hydrogen 3.049 N/A ASN 17.A ND2 GLN 80.A OE1 no hydrogen 2.777 N/A LYS 18.A NZ GLU 14.A OE1 no hydrogen 2.960 N/A GLU 19.A N ASN 15.A O no hydrogen 3.133 N/A LEU 20.A N LEU 16.A O no hydrogen 2.797 N/A ALA 21.A N ASN 17.A O no hydrogen 2.978 N/A LYS 22.A N LYS 18.A O no hydrogen 3.186 N/A ARG 23.A N GLU 19.A O no hydrogen 3.004 N/A ARG 23.A NE GLU 19.A OE2 no hydrogen 2.920 N/A ARG 23.A NH2 GLU 19.A OE2 no hydrogen 2.838 N/A THR 24.A N LEU 20.A O no hydrogen 2.835 N/A THR 24.A OG1 LEU 20.A O no hydrogen 2.631 N/A ASN 25.A N ALA 21.A O no hydrogen 2.909 N/A ASN 25.A ND2 PHE 327.A O no hydrogen 2.798 N/A GLU 27.A N ARG 23.A O no hydrogen 3.250 N/A THR 28.A N THR 24.A O no hydrogen 2.711 N/A THR 28.A OG1 THR 24.A O no hydrogen 2.680 N/A GLU 29.A N ASN 25.A O no hydrogen 2.920 N/A ALA 30.A N VAL 26.A O no hydrogen 3.369 N/A ALA 31.A N GLU 27.A O no hydrogen 3.058 N/A TRP 32.A N THR 28.A O no hydrogen 2.831 N/A ALA 33.A N GLU 29.A O no hydrogen 2.996 N/A TYR 34.A N ALA 30.A O no hydrogen 3.189 N/A GLY 35.A N ALA 31.A O no hydrogen 2.993 N/A SER 36.A N TRP 32.A O no hydrogen 2.923 N/A SER 36.A OG TRP 32.A O no hydrogen 2.811 N/A ASN 37.A N TYR 34.A O no hydrogen 3.158 N/A ILE 38.A N ASP 317.A O no hydrogen 2.774 N/A ASN 42.A N THR 39.A OG1 no hydrogen 3.232 N/A ASN 42.A ND2 ASN 37.A O no hydrogen 2.992 N/A GLU 43.A N THR 39.A O no hydrogen 2.988 N/A LYS 44.A N ASP 40.A O no hydrogen 3.084 N/A LYS 44.A NZ GLU 48.A OE2 no hydrogen 2.986 N/A LYS 45.A N GLU 41.A O no hydrogen 3.056 N/A LYS 45.A NZ GLU 41.A OE2 no hydrogen 2.948 N/A LYS 46.A N ASN 42.A O no hydrogen 2.897 N/A ASN 47.A N GLU 43.A O no hydrogen 2.956 N/A ASN 47.A ND2 LEU 101.A O no hydrogen 3.591 N/A ASN 47.A ND2 ASP 102.A OD1 no hydrogen 3.428 N/A ASN 47.A ND2 SER 105.A OG no hydrogen 3.169 N/A GLU 48.A N LYS 44.A O no hydrogen 2.989 N/A ILE 49.A N LYS 45.A O no hydrogen 3.249 N/A SER 50.A N LYS 46.A O no hydrogen 3.283 N/A SER 50.A OG GLU 27.A OE2 no hydrogen 2.744 N/A SER 50.A OG LYS 46.A O no hydrogen 3.363 N/A ALA 51.A N ASN 47.A O no hydrogen 2.996 N/A GLU 52.A N GLU 48.A O no hydrogen 3.122 N/A LEU 53.A N ILE 49.A O no hydrogen 2.938 N/A ALA 54.A N SER 50.A O no hydrogen 2.767 N/A LYS 55.A N ALA 51.A O no hydrogen 3.109 N/A PHE 56.A N GLU 52.A O no hydrogen 3.204 N/A MET 57.A N LEU 53.A O no hydrogen 2.909 N/A LYS 58.A N ALA 54.A O no hydrogen 3.038 N/A LYS 58.A NZ ALA 90.A O no hydrogen 2.920 N/A LYS 58.A NZ LEU 92.A O no hydrogen 2.711 N/A GLU 59.A N LYS 55.A O no hydrogen 3.453 N/A VAL 60.A N PHE 56.A O no hydrogen 3.029 N/A ALA 61.A N MET 57.A O no hydrogen 2.794 N/A SER 62.A N LYS 58.A O no hydrogen 3.077 N/A ASP 63.A N GLU 59.A O no hydrogen 2.829 N/A THR 64.A N VAL 60.A O no hydrogen 3.082 N/A THR 64.A OG1 ALA 61.A O no hydrogen 2.594 N/A THR 65.A N SER 62.A O no hydrogen 3.180 N/A THR 65.A OG1 SER 62.A O no hydrogen 2.708 N/A LYS 66.A N ASP 63.A O no hydrogen 3.151 N/A PHE 67.A N THR 64.A O no hydrogen 3.100 N/A GLN 68.A N GLU 5.A OE2 no hydrogen 2.829 N/A SER 71.A N GLN 68.A O no hydrogen 2.881 N/A TYR 72.A N TRP 69.A O no hydrogen 3.072 N/A TYR 72.A OH GLU 5.A OE2 no hydrogen 2.662 N/A GLN 73.A N GLU 6.A OE1 no hydrogen 3.027 N/A SER 74.A N GLU 6.A OE2 no hydrogen 2.977 N/A LEU 77.A N SER 74.A OG no hydrogen 3.129 N/A LYS 78.A N SER 74.A O no hydrogen 3.045 N/A LYS 78.A NZ GLU 75.A OE2 no hydrogen 3.087 N/A ARG 79.A N GLU 75.A O no hydrogen 2.900 N/A ARG 79.A NE ALA 544.A O no hydrogen 2.970 N/A ARG 79.A NH1 GLU 193.A OE1 no hydrogen 2.804 N/A ARG 79.A NH1 GLU 193.A OE2 no hydrogen 3.312 N/A ARG 79.A NH2 GLU 193.A OE2 no hydrogen 2.723 N/A ARG 79.A NH2 ALA 544.A O no hydrogen 3.143 N/A GLN 80.A N ASP 76.A O no hydrogen 3.073 N/A GLN 80.A NE2 ASP 76.A OD2 no hydrogen 3.182 N/A PHE 81.A N LEU 77.A O no hydrogen 2.987 N/A LYS 82.A N LYS 78.A O no hydrogen 2.925 N/A ALA 83.A N ARG 79.A O no hydrogen 3.087 N/A LEU 84.A N GLN 80.A O no hydrogen 3.184 N/A THR 85.A N PHE 81.A O no hydrogen 3.204 N/A THR 85.A N LYS 82.A O no hydrogen 3.169 N/A THR 85.A OG1 LYS 82.A O no hydrogen 2.633 N/A LYS 86.A N ALA 83.A O no hydrogen 3.237 N/A LYS 86.A NZ ASP 190.A OD2 no hydrogen 2.967 N/A TYR 89.A OH ASP 485.A OD1 no hydrogen 3.237 N/A TYR 89.A OH ASP 485.A OD2 no hydrogen 2.593 N/A ALA 90.A N LEU 87.A O no hydrogen 3.191 N/A ALA 91.A N GLY 88.A O no hydrogen 3.104 N/A LEU 92.A N TYR 89.A O no hydrogen 3.002 N/A TYR 97.A N PRO 93.A O no hydrogen 2.895 N/A ALA 98.A N GLU 94.A O no hydrogen 3.135 N/A GLU 99.A N ASP 95.A O no hydrogen 3.096 N/A LEU 100.A N ASP 96.A O no hydrogen 2.982 N/A LEU 101.A N TYR 97.A O no hydrogen 3.059 N/A ASP 102.A N ALA 98.A O no hydrogen 2.965 N/A THR 103.A N GLU 99.A O no hydrogen 2.885 N/A THR 103.A OG1 GLU 99.A O no hydrogen 2.601 N/A LEU 104.A N LEU 100.A O no hydrogen 2.859 N/A SER 105.A N LEU 101.A O no hydrogen 3.073 N/A SER 105.A OG GLU 43.A OE2 no hydrogen 2.787 N/A SER 105.A OG LEU 101.A O no hydrogen 2.899 N/A SER 105.A OG ASP 102.A O no hydrogen 3.440 N/A ALA 106.A N ASP 102.A O no hydrogen 3.086 N/A MET 107.A N THR 103.A O no hydrogen 3.197 N/A GLU 108.A N LEU 104.A O no hydrogen 2.953 N/A SER 109.A N SER 105.A O no hydrogen 2.885 N/A SER 109.A OG SER 105.A O no hydrogen 2.748 N/A SER 109.A OG ALA 106.A O no hydrogen 3.394 N/A ASN 110.A N ALA 106.A O no hydrogen 3.065 N/A ASN 110.A ND2 LYS 156.A O no hydrogen 3.018 N/A PHE 111.A N MET 107.A O no hydrogen 3.078 N/A ALA 112.A N GLU 108.A O no hydrogen 3.003 N/A LYS 113.A N SER 109.A O no hydrogen 2.891 N/A LYS 113.A N ASN 110.A O no hydrogen 3.232 N/A VAL 114.A N PHE 111.A O no hydrogen 3.451 N/A VAL 116.A N LEU 127.A O no hydrogen 2.946 N/A ASP 118.A N LYS 124.A O no hydrogen 2.762 N/A TYR 119.A N TYR 149.A OH no hydrogen 2.880 N/A LYS 120.A N ASP 118.A OD1 no hydrogen 2.668 N/A ASP 121.A N ASP 118.A O no hydrogen 3.225 N/A THR 123.A N ASP 121.A OD1 no hydrogen 3.204 N/A THR 123.A OG1 ASP 121.A OD1 no hydrogen 2.633 N/A LYS 124.A N ASP 121.A O no hydrogen 3.173 N/A LYS 124.A NZ ASP 126.A OD1 no hydrogen 3.484 N/A CYS 125.A SG SER 122.A O no hydrogen 3.338 N/A LEU 127.A N VAL 116.A O no hydrogen 3.290 N/A ALA 128.A N GLU 132.A OE1 no hydrogen 2.858 N/A ILE 133.A N ALA 128.A O no hydrogen 2.928 N/A GLU 134.A N LEU 129.A O no hydrogen 2.975 N/A GLU 135.A N PRO 131.A O no hydrogen 3.058 N/A VAL 136.A N GLU 132.A O no hydrogen 3.404 N/A ILE 137.A N ILE 133.A O no hydrogen 2.993 N/A SER 138.A N GLU 134.A O no hydrogen 3.010 N/A SER 138.A OG GLU 134.A O no hydrogen 2.627 N/A SER 138.A OG GLU 135.A O no hydrogen 3.146 N/A LYS 139.A N GLU 135.A O no hydrogen 3.071 N/A LYS 139.A N VAL 136.A O no hydrogen 3.213 N/A LYS 139.A NZ GLU 253.A OE1 no hydrogen 2.763 N/A SER 140.A N VAL 136.A O no hydrogen 2.842 N/A SER 140.A OG GLU 145.A OE1 no hydrogen 2.607 N/A ARG 141.A NH2 GLU 253.A O no hydrogen 3.024 N/A ASP 142.A N SER 140.A OG no hydrogen 3.152 N/A GLU 145.A N ASP 142.A OD1 no hydrogen 2.952 N/A LEU 146.A N ASP 142.A O no hydrogen 2.911 N/A ALA 147.A N HIS 143.A O no hydrogen 3.033 N/A TYR 148.A N GLU 144.A O no hydrogen 3.018 N/A TYR 148.A OH CYS 117.A O no hydrogen 2.740 N/A TYR 149.A N GLU 145.A O no hydrogen 3.179 N/A TRP 150.A N LEU 146.A O no hydrogen 3.019 N/A ARG 151.A N ALA 147.A O no hydrogen 3.034 N/A GLU 152.A N TYR 148.A O no hydrogen 2.996 N/A PHE 153.A N TYR 149.A O no hydrogen 3.001 N/A TYR 154.A N TRP 150.A O no hydrogen 2.986 N/A TYR 154.A OH MET 246.A O no hydrogen 2.764 N/A ASP 155.A N ARG 151.A O no hydrogen 3.042 N/A LYS 156.A N GLU 152.A O no hydrogen 3.269 N/A ALA 157.A N PHE 153.A O no hydrogen 2.728 N/A GLY 158.A N TYR 154.A O no hydrogen 2.895 N/A THR 159.A N TYR 154.A O no hydrogen 3.221 N/A VAL 161.A N GLY 158.A O no hydrogen 3.113 N/A ARG 162.A N THR 159.A O no hydrogen 3.328 N/A ARG 162.A NH1 GLU 166.A OE2 no hydrogen 3.498 N/A ARG 162.A NH2 ASP 473.A O no hydrogen 3.221 N/A SER 163.A OG GLN 164.A OE1 no hydrogen 3.155 N/A GLN 164.A N GLN 164.A OE1 no hydrogen 2.933 N/A PHE 165.A N VAL 161.A O no hydrogen 2.839 N/A GLU 166.A N ARG 162.A O no hydrogen 2.872 N/A ARG 167.A N SER 163.A O no hydrogen 3.130 N/A ARG 167.A NE GLU 99.A OE2 no hydrogen 2.709 N/A ARG 167.A NH1 GLU 170.A OE1 no hydrogen 2.986 N/A ARG 167.A NH2 GLU 99.A OE1 no hydrogen 2.941 N/A ARG 167.A NH2 GLU 99.A OE2 no hydrogen 3.485 N/A TYR 168.A N GLN 164.A O no hydrogen 2.917 N/A TYR 168.A OH ASP 485.A OD1 no hydrogen 2.488 N/A VAL 169.A N PHE 165.A O no hydrogen 2.976 N/A GLU 170.A N GLU 166.A O no hydrogen 3.168 N/A LEU 171.A N ARG 167.A O no hydrogen 2.969 N/A ASN 172.A N TYR 168.A O no hydrogen 2.765 N/A ASN 172.A ND2 TYR 89.A OH no hydrogen 2.986 N/A THR 173.A N VAL 169.A O no hydrogen 2.964 N/A THR 173.A OG1 VAL 169.A O no hydrogen 2.737 N/A LYS 174.A N GLU 170.A O no hydrogen 3.042 N/A LYS 174.A NZ ASP 96.A OD2 no hydrogen 2.578 N/A ALA 175.A N LEU 171.A O no hydrogen 2.948 N/A ALA 176.A N ASN 172.A O no hydrogen 3.015 N/A LYS 177.A N THR 173.A O no hydrogen 2.966 N/A LYS 177.A NZ THR 182.A O no hydrogen 2.775 N/A LEU 178.A N LYS 174.A O no hydrogen 3.047 N/A ASN 179.A N ALA 175.A O no hydrogen 3.232 N/A ASN 179.A N ALA 176.A O no hydrogen 3.052 N/A ASN 179.A ND2 GLY 88.A O no hydrogen 2.920 N/A ASN 179.A ND2 ALA 175.A O no hydrogen 2.795 N/A ASN 180.A N LYS 177.A O no hydrogen 2.887 N/A PHE 181.A N ALA 176.A O no hydrogen 2.987 N/A SER 183.A OG GLU 186.A OE1 no hydrogen 2.565 N/A ALA 185.A N SER 183.A OG no hydrogen 3.274 N/A ALA 187.A N SER 183.A O no hydrogen 3.184 N/A TRP 188.A N GLY 184.A O no hydrogen 2.953 N/A LEU 189.A N ALA 185.A O no hydrogen 2.936 N/A ASP 190.A N GLU 186.A O no hydrogen 2.956 N/A GLU 191.A N TRP 188.A O no hydrogen 3.247 N/A TYR 192.A N LEU 189.A O no hydrogen 3.013 N/A TYR 192.A OH GLU 487.A OE2 no hydrogen 2.542 N/A GLU 193.A N ASP 190.A O no hydrogen 3.117 N/A THR 196.A N ASP 194.A OD1 no hydrogen 3.039 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 3.037 N/A PHE 197.A N ASP 194.A O no hydrogen 3.162 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.874 N/A GLN 200.A N THR 196.A O no hydrogen 2.935 N/A GLN 200.A NE2 ASP 194.A OD2 no hydrogen 2.761 N/A GLN 200.A NE2 THR 196.A OG1 no hydrogen 2.838 N/A LEU 201.A N PHE 197.A O no hydrogen 3.087 N/A GLU 202.A N GLU 198.A O no hydrogen 2.923 N/A ASP 203.A N GLN 199.A O no hydrogen 2.910 N/A ILE 204.A N GLN 200.A O no hydrogen 3.060 N/A PHE 205.A N LEU 201.A O no hydrogen 2.741 N/A ALA 206.A N GLU 202.A O no hydrogen 2.843 N/A ASP 207.A N ASP 203.A O no hydrogen 3.262 N/A ASP 207.A N ILE 204.A O no hydrogen 3.147 N/A ILE 208.A N ILE 204.A O no hydrogen 3.277 N/A ILE 208.A N PHE 205.A O no hydrogen 3.180 N/A ARG 209.A N PHE 205.A O no hydrogen 2.864 N/A ARG 209.A NH2 GLU 459.A O no hydrogen 2.965 N/A TYR 212.A N ILE 208.A O no hydrogen 3.231 N/A TYR 212.A OH SER 461.A O no hydrogen 2.471 N/A GLN 213.A N ARG 209.A O no hydrogen 3.001 N/A GLN 214.A N PRO 210.A O no hydrogen 3.174 N/A ILE 215.A N LEU 211.A O no hydrogen 3.135 N/A HIS 216.A N TYR 212.A O no hydrogen 2.784 N/A HIS 216.A NE2 GLY 462.A O no hydrogen 2.806 N/A GLY 217.A N GLN 213.A O no hydrogen 3.001 N/A TYR 218.A N GLN 214.A O no hydrogen 2.998 N/A VAL 219.A N ILE 215.A O no hydrogen 2.888 N/A ARG 220.A N HIS 216.A O no hydrogen 2.946 N/A ARG 220.A NH1 GLY 236.A O no hydrogen 2.963 N/A ARG 220.A NH1 GLY 589.A O no hydrogen 2.817 N/A ARG 220.A NH2 HIS 587.A O no hydrogen 2.957 N/A ARG 220.A NH2 GLY 589.A O no hydrogen 2.616 N/A PHE 221.A N GLY 217.A O no hydrogen 2.988 N/A ARG 222.A N TYR 218.A O no hydrogen 3.003 N/A ARG 222.A NH1 TYR 218.A OH no hydrogen 2.884 N/A ARG 222.A NH1 SER 259.A O no hydrogen 2.639 N/A ARG 222.A NH2 SER 259.A O no hydrogen 3.215 N/A LEU 223.A N VAL 219.A O no hydrogen 2.832 N/A ARG 224.A N ARG 220.A O no hydrogen 2.957 N/A ARG 224.A NE ASP 229.A OD1 no hydrogen 3.160 N/A ARG 224.A NE ASP 229.A OD2 no hydrogen 3.183 N/A ARG 224.A NH2 ASP 229.A OD1 no hydrogen 3.527 N/A ARG 224.A NH2 ASP 229.A OD2 no hydrogen 2.709 N/A LYS 225.A N PHE 221.A O no hydrogen 3.397 N/A HIS 226.A N ARG 222.A O no hydrogen 3.220 N/A TYR 227.A N LEU 223.A O no hydrogen 2.813 N/A GLY 228.A N ARG 224.A O no hydrogen 2.763 N/A VAL 231.A N GLY 228.A O no hydrogen 3.296 N/A VAL 232.A N GLY 228.A O no hydrogen 3.233 N/A GLY 236.A N SER 233.A OG no hydrogen 2.901 N/A ILE 238.A N GLY 462.A O no hydrogen 2.917 N/A MET 240.A N GLU 464.A O no hydrogen 2.837 N/A LEU 242.A N PRO 239.A O no hydrogen 3.282 N/A LEU 243.A N MET 240.A O no hydrogen 3.236 N/A TRP 247.A N ASN 245.A OD1 no hydrogen 2.916 N/A TRP 247.A NE1 ALA 478.A O no hydrogen 2.834 N/A ALA 248.A N ASN 245.A O no hydrogen 3.028 N/A GLN 249.A N ASN 245.A OD1 no hydrogen 3.351 N/A TRP 251.A N LEU 420.A O no hydrogen 2.910 N/A TRP 251.A NE1 ALA 248.A O no hydrogen 2.936 N/A SER 252.A OG ASP 421.A OD1 no hydrogen 2.525 N/A ILE 254.A N TRP 251.A O no hydrogen 3.138 N/A ALA 255.A N SER 252.A O no hydrogen 3.101 N/A ILE 257.A N ILE 254.A O no hydrogen 3.027 N/A VAL 258.A N ILE 254.A O no hydrogen 3.200 N/A VAL 258.A N ALA 255.A O no hydrogen 3.358 N/A PHE 261.A N ASN 413.A OD1 no hydrogen 2.900 N/A LYS 264.A N PHE 261.A O no hydrogen 2.980 N/A LYS 264.A NZ ASP 407.A OD2 no hydrogen 2.943 N/A LYS 264.A NZ GLU 409.A OE1 no hydrogen 2.799 N/A VAL 269.A N GLN 343.A OE1 no hydrogen 2.693 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 3.493 N/A MET 273.A N VAL 269.A O no hydrogen 2.921 N/A GLU 274.A N SER 270.A O no hydrogen 3.017 N/A LYS 275.A N ALA 271.A O no hydrogen 2.884 N/A GLN 276.A N GLU 272.A O no hydrogen 2.934 N/A GLN 276.A NE2 GLU 272.A OE1 no hydrogen 2.984 N/A GLN 276.A NE2 GLY 399.A O no hydrogen 2.787 N/A GLY 277.A N GLU 274.A O no hydrogen 3.061 N/A TYR 278.A N MET 273.A O no hydrogen 3.015 N/A LYS 282.A N THR 279.A OG1 no hydrogen 3.119 N/A MET 283.A N THR 279.A O no hydrogen 2.962 N/A PHE 284.A N PRO 280.A O no hydrogen 2.964 N/A GLN 285.A N LEU 281.A O no hydrogen 2.886 N/A MET 286.A N LYS 282.A O no hydrogen 2.822 N/A GLY 287.A N MET 283.A O no hydrogen 3.037 N/A ASP 288.A N PHE 284.A O no hydrogen 2.921 N/A ASP 289.A N GLN 285.A O no hydrogen 2.866 N/A PHE 290.A N MET 286.A O no hydrogen 2.975 N/A PHE 291.A N GLY 287.A O no hydrogen 3.210 N/A THR 292.A N ASP 288.A O no hydrogen 2.951 N/A THR 292.A OG1 ASP 288.A O no hydrogen 3.231 N/A THR 292.A OG1 ASP 289.A O no hydrogen 3.126 N/A SER 293.A N ASP 289.A O no hydrogen 2.819 N/A SER 293.A OG PHE 290.A O no hydrogen 2.618 N/A MET 294.A N PHE 291.A O no hydrogen 3.132 N/A ASN 295.A N THR 292.A O no hydrogen 2.870 N/A LEU 296.A N PHE 291.A O no hydrogen 3.036 N/A THR 297.A N GLN 357.A OE1 no hydrogen 2.917 N/A THR 297.A OG1 GLN 357.A OE1 no hydrogen 3.569 N/A LEU 299.A N ASP 288.A OD1 no hydrogen 3.002 N/A GLN 301.A NE2 ASP 305.A OD1 no hydrogen 2.983 N/A PHE 303.A N PRO 300.A O no hydrogen 2.957 N/A ASP 305.A N GLN 301.A O no hydrogen 2.916 N/A LYS 306.A N ASP 302.A O no hydrogen 2.916 N/A LYS 306.A NZ ASP 332.A OD2 no hydrogen 2.876 N/A SER 307.A N PHE 303.A O no hydrogen 2.990 N/A SER 307.A OG PHE 303.A O no hydrogen 2.735 N/A ILE 308.A N ILE 335.A O no hydrogen 3.011 N/A LYS 311.A NZ ASP 130.A O no hydrogen 2.832 N/A ARG 316.A N ASP 314.A OD1 no hydrogen 3.366 N/A ARG 316.A NE SER 36.A O no hydrogen 3.019 N/A ARG 316.A NH1 ASP 314.A OD2 no hydrogen 3.130 N/A ARG 316.A NH2 SER 36.A O no hydrogen 3.292 N/A VAL 319.A N GLY 35.A O no hydrogen 3.032 N/A SER 323.A N LYS 336.A O no hydrogen 2.976 N/A TRP 325.A N ARG 334.A O no hydrogen 2.700 N/A TRP 325.A NE1 SER 323.A OG no hydrogen 2.777 N/A PHE 327.A N ASP 332.A O no hydrogen 3.161 N/A TYR 328.A N ASP 326.A OD1 no hydrogen 3.069 N/A ASP 331.A N GLN 363.A OE1 no hydrogen 2.929 N/A ARG 334.A N TRP 325.A O no hydrogen 3.035 N/A ARG 334.A NE ASP 332.A OD1 no hydrogen 3.196 N/A ARG 334.A NH2 GLU 29.A OE2 no hydrogen 2.576 N/A ARG 334.A NH2 ASP 332.A OD1 no hydrogen 3.442 N/A ARG 334.A NH2 ASP 332.A OD2 no hydrogen 3.341 N/A ILE 335.A N SER 307.A OG no hydrogen 3.071 N/A LYS 336.A N SER 323.A O no hydrogen 2.903 N/A LYS 336.A NZ GLY 35.A O no hydrogen 3.179 N/A LYS 336.A NZ VAL 319.A O no hydrogen 2.796 N/A GLN 337.A N ILE 308.A O no hydrogen 2.839 N/A GLN 337.A NE2 GLN 345.A OE1 no hydrogen 3.032 N/A CYS 338.A SG CYS 320.A O no hydrogen 3.999 N/A THR 339.A OG1 ILE 309.A O no hydrogen 2.690 N/A THR 339.A OG1 GLN 337.A O no hydrogen 3.299 N/A ARG 340.A N GLN 345.A OE1 no hydrogen 2.974 N/A THR 342.A N ARG 340.A O no hydrogen 3.105 N/A GLN 343.A N SER 270.A OG no hydrogen 2.976 N/A GLN 345.A N THR 342.A OG1 no hydrogen 3.014 N/A LEU 346.A N THR 342.A O no hydrogen 2.970 N/A PHE 347.A N GLN 343.A O no hydrogen 3.187 N/A THR 348.A N ASP 344.A O no hydrogen 3.082 N/A THR 348.A OG1 ASP 344.A O no hydrogen 3.227 N/A VAL 349.A N GLN 345.A O no hydrogen 2.891 N/A HIS 350.A N LEU 346.A O no hydrogen 3.349 N/A HIS 350.A ND1 LEU 346.A O no hydrogen 2.819 N/A HIS 351.A N PHE 347.A O no hydrogen 2.835 N/A HIS 351.A ND1 ASP 383.A OD1 no hydrogen 2.644 N/A GLU 352.A N THR 348.A O no hydrogen 2.876 N/A LEU 353.A N VAL 349.A O no hydrogen 2.907 N/A GLY 354.A N HIS 350.A O no hydrogen 3.045 N/A GLY 354.A N HIS 351.A O no hydrogen 3.234 N/A HIS 355.A N GLU 352.A O no hydrogen 3.166 N/A HIS 355.A ND1 HIS 378.A ND1 no hydrogen 2.934 N/A ILE 356.A N GLU 352.A O no hydrogen 3.402 N/A GLN 357.A N LEU 353.A O no hydrogen 2.987 N/A GLN 357.A NE2 THR 297.A O no hydrogen 2.877 N/A TYR 358.A N GLY 354.A O no hydrogen 3.108 N/A PHE 359.A N HIS 355.A O no hydrogen 2.904 N/A LEU 360.A N ILE 356.A O no hydrogen 3.023 N/A GLN 361.A N GLN 357.A O no hydrogen 2.922 N/A GLN 361.A NE2 GLN 357.A OE1 no hydrogen 3.111 N/A TYR 362.A N TYR 358.A O no hydrogen 3.165 N/A TYR 362.A OH HIS 378.A NE2 no hydrogen 2.800 N/A GLN 363.A NE2 ASP 331.A OD1 no hydrogen 2.848 N/A GLN 365.A N TYR 362.A O no hydrogen 2.923 N/A VAL 368.A N ASN 17.A OD1 no hydrogen 3.175 N/A TYR 369.A N PRO 366.A O no hydrogen 2.809 N/A TYR 369.A OH ASP 76.A OD1 no hydrogen 2.955 N/A ARG 370.A N PHE 367.A O no hydrogen 2.974 N/A ARG 370.A NH1 TYR 328.A O no hydrogen 3.217 N/A ARG 370.A NH2 LEU 329.A O no hydrogen 3.061 N/A THR 371.A N TYR 369.A O no hydrogen 2.886 N/A ALA 373.A N TYR 358.A OH no hydrogen 3.136 N/A GLY 376.A N ASN 374.A OD1 no hydrogen 2.750 N/A PHE 377.A N ASN 374.A O no hydrogen 2.987 N/A PHE 377.A N ASN 374.A OD1 no hydrogen 3.344 N/A HIS 378.A ND1 HIS 355.A ND1 no hydrogen 2.934 N/A HIS 378.A NE2 TYR 362.A OH no hydrogen 2.800 N/A ALA 380.A N GLY 376.A O no hydrogen 3.095 N/A ALA 380.A N PHE 377.A O no hydrogen 3.164 N/A VAL 384.A N ALA 380.A O no hydrogen 3.063 N/A SER 386.A N GLY 382.A O no hydrogen 2.941 N/A SER 386.A OG PHE 347.A O no hydrogen 2.970 N/A SER 386.A OG GLY 382.A O no hydrogen 3.338 N/A LEU 387.A N ASP 383.A O no hydrogen 2.855 N/A SER 388.A N VAL 384.A O no hydrogen 3.484 N/A SER 388.A OG CYS 524.A O no hydrogen 2.967 N/A VAL 389.A N LEU 385.A O no hydrogen 2.778 N/A SER 390.A N SER 386.A O no hydrogen 2.969 N/A SER 390.A OG SER 386.A O no hydrogen 3.473 N/A SER 390.A OG LEU 387.A O no hydrogen 2.731 N/A THR 391.A N SER 388.A O no hydrogen 3.146 N/A THR 391.A OG1 SER 388.A O no hydrogen 2.732 N/A LYS 393.A N ASN 523.A OD1 no hydrogen 3.102 N/A LYS 393.A NZ GLN 511.A OE1 no hydrogen 2.888 N/A LYS 393.A NZ ASN 523.A O no hydrogen 2.847 N/A HIS 394.A N THR 391.A OG1 no hydrogen 3.146 N/A HIS 394.A ND1 ASP 525.A OD2 no hydrogen 2.718 N/A LEU 395.A N THR 391.A O no hydrogen 3.032 N/A GLU 396.A N PRO 392.A O no hydrogen 2.979 N/A LYS 397.A N LYS 393.A O no hydrogen 3.315 N/A LYS 397.A NZ ASP 525.A OD2 no hydrogen 2.812 N/A ILE 398.A N HIS 394.A O no hydrogen 3.160 N/A GLY 399.A N GLU 396.A O no hydrogen 2.975 N/A LEU 400.A N LEU 395.A O no hydrogen 2.901 N/A LEU 401.A N LEU 395.A O no hydrogen 3.055 N/A LYS 402.A NZ GLY 399.A O no hydrogen 2.952 N/A ALA 410.A N ASP 407.A OD1 no hydrogen 2.822 N/A ARG 411.A N ASP 407.A O no hydrogen 3.036 N/A ARG 411.A NE ASP 522.A OD2 no hydrogen 2.989 N/A ARG 411.A NH2 ASP 522.A OD1 no hydrogen 2.792 N/A ILE 412.A N ASP 408.A O no hydrogen 3.184 N/A ASN 413.A N GLU 409.A O no hydrogen 3.031 N/A ASN 413.A ND2 PHE 261.A O no hydrogen 2.863 N/A ASN 413.A ND2 PRO 265.A O no hydrogen 3.279 N/A GLN 414.A N ALA 410.A O no hydrogen 2.991 N/A GLN 414.A NE2 SER 390.A O no hydrogen 3.412 N/A LEU 415.A N ARG 411.A O no hydrogen 2.825 N/A PHE 416.A N ILE 412.A O no hydrogen 2.828 N/A LEU 417.A N ASN 413.A O no hydrogen 2.900 N/A THR 418.A N GLN 414.A O no hydrogen 2.965 N/A THR 418.A OG1 GLN 414.A O no hydrogen 3.029 N/A ALA 419.A N LEU 415.A O no hydrogen 2.964 N/A LEU 420.A N PHE 416.A O no hydrogen 2.908 N/A ASP 421.A N THR 418.A O no hydrogen 2.990 N/A LYS 422.A N THR 418.A O no hydrogen 2.766 N/A LYS 422.A NZ GLN 498.A OE1 no hydrogen 2.724 N/A ILE 423.A N ALA 419.A O no hydrogen 2.939 N/A VAL 424.A N ALA 419.A O no hydrogen 3.193 N/A LEU 426.A N ILE 423.A O no hydrogen 3.080 N/A ALA 429.A N PHE 425.A O no hydrogen 2.779 N/A PHE 430.A N LEU 426.A O no hydrogen 3.048 N/A THR 431.A N PRO 427.A O no hydrogen 3.088 N/A THR 431.A OG1 PRO 427.A O no hydrogen 3.453 N/A THR 431.A OG1 PHE 428.A O no hydrogen 2.733 N/A MET 432.A N PHE 428.A O no hydrogen 3.283 N/A LYS 434.A N PHE 430.A O no hydrogen 2.983 N/A LYS 434.A NZ GLU 202.A OE2 no hydrogen 2.690 N/A LYS 434.A NZ TYR 460.A OH no hydrogen 3.160 N/A TYR 435.A N THR 431.A O no hydrogen 2.850 N/A TYR 435.A OH TRP 449.A O no hydrogen 2.682 N/A ARG 436.A N MET 432.A O no hydrogen 3.358 N/A ARG 436.A NE MET 432.A O no hydrogen 3.566 N/A ARG 436.A NE ASP 433.A OD1 no hydrogen 3.343 N/A ARG 436.A NH1 VAL 486.A O no hydrogen 3.080 N/A ARG 436.A NH2 ASP 433.A OD1 no hydrogen 2.759 N/A ARG 436.A NH2 VAL 486.A O no hydrogen 2.858 N/A TRP 437.A N ASP 433.A O no hydrogen 2.682 N/A SER 438.A N LYS 434.A O no hydrogen 3.056 N/A SER 438.A OG LYS 434.A O no hydrogen 3.491 N/A SER 438.A OG TYR 435.A O no hydrogen 2.730 N/A LEU 439.A N TYR 435.A O no hydrogen 3.180 N/A PHE 440.A N ARG 436.A O no hydrogen 2.820 N/A ARG 441.A N TRP 437.A O no hydrogen 2.846 N/A ARG 441.A NE GLU 186.A OE2 no hydrogen 2.887 N/A ARG 441.A NH1 GLU 198.A OE2 no hydrogen 3.297 N/A ARG 441.A NH2 GLU 186.A OE2 no hydrogen 3.003 N/A ARG 441.A NH2 GLU 198.A OE2 no hydrogen 2.837 N/A GLY 442.A N LEU 439.A O no hydrogen 3.011 N/A GLU 443.A N SER 438.A O no hydrogen 2.850 N/A ASN 448.A N ASP 445.A O no hydrogen 2.827 N/A TRP 449.A N LYS 446.A O no hydrogen 3.475 N/A TRP 449.A NE1 VAL 444.A O no hydrogen 3.025 N/A ASN 450.A N GLU 471.A OE1 no hydrogen 2.895 N/A ASN 450.A ND2 SER 470.A O no hydrogen 2.979 N/A ASN 450.A ND2 ASP 475.A OD2 no hydrogen 3.276 N/A CYS 451.A N GLU 471.A OE2 no hydrogen 2.960 N/A CYS 451.A SG VAL 597.A O no hydrogen 3.519 N/A ALA 452.A N ASN 448.A O no hydrogen 3.003 N/A PHE 453.A N ASN 450.A O no hydrogen 3.011 N/A TRP 454.A N ASN 450.A O no hydrogen 3.244 N/A TRP 454.A NE1 ASP 475.A OD2 no hydrogen 2.743 N/A LYS 455.A N CYS 451.A O no hydrogen 2.796 N/A LEU 456.A N ALA 452.A O no hydrogen 3.394 N/A ARG 457.A N PHE 453.A O no hydrogen 3.171 N/A ARG 457.A NH1 SER 461.A OG no hydrogen 2.900 N/A ASP 458.A N TRP 454.A O no hydrogen 2.914 N/A GLU 459.A N LYS 455.A O no hydrogen 2.814 N/A TYR 460.A N LEU 456.A O no hydrogen 2.905 N/A SER 461.A N ARG 457.A O no hydrogen 3.008 N/A GLY 462.A N ASP 458.A O no hydrogen 2.901 N/A GLU 464.A N ILE 238.A O no hydrogen 2.986 N/A ARG 469.A N LYS 595.A O no hydrogen 2.728 N/A ARG 469.A NE ASP 475.A OD1 no hydrogen 3.250 N/A ARG 469.A NE ASP 475.A OD2 no hydrogen 2.974 N/A ARG 469.A NH1 ASP 155.A OD1 no hydrogen 3.032 N/A ARG 469.A NH2 ASP 155.A OD1 no hydrogen 2.844 N/A ARG 469.A NH2 ASP 475.A OD1 no hydrogen 2.582 N/A SER 470.A N ASP 473.A OD2 no hydrogen 3.047 N/A LYS 472.A N SER 470.A OG no hydrogen 3.220 N/A ASP 473.A N SER 470.A O no hydrogen 3.041 N/A PHE 474.A N THR 159.A OG1 no hydrogen 3.117 N/A ASP 475.A N ASN 450.A OD1 no hydrogen 2.759 N/A ALA 478.A N ASP 475.A O no hydrogen 3.083 N/A LYS 479.A N ALA 476.A O no hydrogen 3.089 N/A LYS 479.A NZ GLN 249.A OE1 no hydrogen 2.856 N/A TYR 480.A OH GLU 108.A OE2 no hydrogen 2.483 N/A HIS 481.A NE2 TYR 491.A OH no hydrogen 2.876 N/A ILE 482.A N LYS 479.A O no hydrogen 2.965 N/A SER 483.A N LYS 479.A O no hydrogen 3.278 N/A SER 483.A OG PRO 477.A O no hydrogen 2.675 N/A ALA 484.A N TYR 480.A O no hydrogen 2.870 N/A VAL 486.A N HIS 481.A O no hydrogen 2.934 N/A TYR 488.A N ASP 433.A OD1 no hydrogen 3.229 N/A TYR 488.A N ASP 433.A OD2 no hydrogen 3.068 N/A LEU 489.A N ASP 433.A OD2 no hydrogen 2.771 N/A ARG 490.A N GLU 487.A OE1 no hydrogen 2.913 N/A ARG 490.A NE GLU 487.A OE1 no hydrogen 3.128 N/A TYR 491.A N TYR 488.A O no hydrogen 2.939 N/A TYR 491.A OH HIS 481.A NE2 no hydrogen 2.876 N/A VAL 493.A N LEU 489.A O no hydrogen 2.942 N/A SER 494.A N ARG 490.A O no hydrogen 2.783 N/A PHE 495.A N TYR 491.A O no hydrogen 2.930 N/A ILE 496.A N LEU 492.A O no hydrogen 3.261 N/A ILE 497.A N VAL 493.A O no hydrogen 2.868 N/A GLN 498.A N SER 494.A O no hydrogen 2.758 N/A GLN 498.A NE2 ASP 383.A OD2 no hydrogen 2.977 N/A GLN 498.A NE2 SER 494.A O no hydrogen 3.277 N/A GLN 498.A NE2 SER 494.A OG no hydrogen 3.208 N/A PHE 499.A N ILE 496.A O no hydrogen 3.293 N/A GLN 500.A NE2 GLU 558.A OE1 no hydrogen 3.506 N/A GLN 500.A NE2 ILE 560.A O no hydrogen 3.085 N/A PHE 501.A N ILE 497.A O no hydrogen 2.956 N/A TYR 502.A N GLN 498.A O no hydrogen 2.918 N/A TYR 502.A OH LEU 521.A O no hydrogen 3.263 N/A TYR 502.A OH CYS 524.A O no hydrogen 2.659 N/A LYS 503.A N PHE 499.A O no hydrogen 2.961 N/A LYS 503.A NZ GLU 568.A OE1 no hydrogen 2.707 N/A LYS 503.A NZ GLU 568.A OE2 no hydrogen 3.548 N/A SER 504.A N GLN 500.A O no hydrogen 3.191 N/A SER 504.A OG GLN 500.A O no hydrogen 3.152 N/A ALA 505.A N PHE 501.A O no hydrogen 2.786 N/A CYS 506.A N TYR 502.A O no hydrogen 2.879 N/A CYS 506.A SG TYR 502.A O no hydrogen 3.001 N/A ILE 507.A N LYS 503.A O no hydrogen 2.973 N/A LYS 508.A N SER 504.A O no hydrogen 2.986 N/A LYS 508.A NZ PHE 555.A O no hydrogen 3.370 N/A ALA 509.A N ALA 505.A O no hydrogen 2.832 N/A GLY 510.A N ILE 507.A O no hydrogen 2.952 N/A GLN 511.A N CYS 506.A O no hydrogen 2.776 N/A TYR 512.A OH GLU 568.A OE2 no hydrogen 2.461 N/A ASP 513.A N LEU 519.A O no hydrogen 3.339 N/A ASP 515.A N ASP 513.A OD1 no hydrogen 3.235 N/A ASN 516.A N ASP 513.A O no hydrogen 3.137 N/A GLU 518.A N ASN 516.A OD1 no hydrogen 2.918 N/A LEU 519.A N ASN 516.A O no hydrogen 3.115 N/A ASN 523.A N PRO 520.A O no hydrogen 3.072 N/A CYS 524.A N LEU 521.A O no hydrogen 3.311 N/A ASP 525.A N GLN 511.A OE1 no hydrogen 3.027 N/A ILE 526.A N SER 388.A OG no hydrogen 3.011 N/A TYR 527.A N ASP 525.A OD1 no hydrogen 3.055 N/A TYR 527.A OH ASP 289.A OD1 no hydrogen 2.841 N/A TYR 527.A OH ASP 289.A OD2 no hydrogen 2.827 N/A GLY 528.A N SER 293.A OG no hydrogen 2.863 N/A SER 529.A N ILE 526.A O no hydrogen 3.075 N/A ALA 532.A N SER 529.A OG no hydrogen 3.095 N/A GLY 533.A N SER 529.A O no hydrogen 3.148 N/A ALA 534.A N ALA 530.A O no hydrogen 2.808 N/A ALA 535.A N ALA 531.A O no hydrogen 3.413 N/A PHE 536.A N ALA 532.A O no hydrogen 3.220 N/A HIS 537.A N GLY 533.A O no hydrogen 2.833 N/A HIS 537.A ND1 GLN 361.A OE1 no hydrogen 2.710 N/A ASN 538.A N ALA 534.A O no hydrogen 3.002 N/A MET 539.A N ALA 535.A O no hydrogen 3.126 N/A LEU 540.A N PHE 536.A O no hydrogen 2.731 N/A SER 541.A N HIS 537.A O no hydrogen 3.032 N/A SER 541.A OG HIS 537.A O no hydrogen 2.705 N/A SER 541.A OG ASN 538.A O no hydrogen 3.442 N/A MET 542.A N MET 539.A O no hydrogen 3.247 N/A GLY 543.A N LEU 540.A O no hydrogen 3.144 N/A ALA 544.A N TYR 369.A O no hydrogen 2.866 N/A SER 545.A N MET 542.A O no hydrogen 3.004 N/A SER 545.A OG MET 542.A O no hydrogen 2.593 N/A TRP 548.A NE1 TYR 192.A O no hydrogen 2.760 N/A ASP 550.A N PRO 547.A O no hydrogen 2.910 N/A ALA 551.A N TRP 548.A O no hydrogen 3.012 N/A LEU 552.A N TRP 548.A O no hydrogen 2.994 N/A GLU 553.A N PRO 549.A O no hydrogen 3.022 N/A ALA 554.A N ASP 550.A O no hydrogen 3.125 N/A PHE 555.A N LEU 552.A O no hydrogen 3.007 N/A ASN 556.A N LEU 552.A O no hydrogen 3.084 N/A ASN 556.A ND2 SER 504.A OG no hydrogen 2.873 N/A GLY 557.A N GLU 553.A O no hydrogen 2.748 N/A GLU 558.A N ASN 556.A OD1 no hydrogen 2.980 N/A ARG 559.A NH1 ASP 550.A OD1 no hydrogen 2.585 N/A ARG 559.A NH1 GLU 553.A OE1 no hydrogen 2.940 N/A ARG 559.A NH2 ASP 550.A OD1 no hydrogen 3.511 N/A SER 562.A N GLN 500.A OE1 no hydrogen 2.983 N/A LYS 564.A N SER 562.A OG no hydrogen 3.125 N/A ALA 567.A N GLY 563.A O no hydrogen 3.157 N/A GLU 568.A N LYS 564.A O no hydrogen 2.928 N/A TYR 569.A N ALA 565.A O no hydrogen 3.023 N/A PHE 570.A N ILE 566.A O no hydrogen 3.222 N/A GLU 571.A N GLU 568.A O no hydrogen 3.453 N/A ARG 574.A N PHE 570.A O no hydrogen 2.897 N/A ARG 574.A NE GLU 571.A OE1 no hydrogen 2.903 N/A ARG 574.A NH1 GLU 578.A OE2 no hydrogen 2.803 N/A ARG 574.A NH2 GLU 571.A OE1 no hydrogen 3.534 N/A ARG 574.A NH2 GLU 571.A OE2 no hydrogen 2.794 N/A VAL 575.A N GLU 571.A O no hydrogen 3.071 N/A TRP 576.A N PRO 572.A O no hydrogen 3.207 N/A LEU 577.A N LEU 573.A O no hydrogen 2.722 N/A GLU 578.A N ARG 574.A O no hydrogen 2.918 N/A ALA 579.A N VAL 575.A O no hydrogen 3.364 N/A GLU 580.A N TRP 576.A O no hydrogen 2.864 N/A ASN 581.A N LEU 577.A O no hydrogen 2.938 N/A ASN 581.A ND2 GLN 214.A O no hydrogen 3.062 N/A ASN 581.A ND2 GLN 214.A OE1 no hydrogen 2.823 N/A ILE 582.A N GLU 578.A O no hydrogen 3.198 N/A LYS 583.A N ALA 579.A O no hydrogen 2.889 N/A ASN 584.A N GLU 580.A O no hydrogen 3.069 N/A ASN 584.A ND2 GLU 580.A O no hydrogen 3.023 N/A ASN 584.A ND2 GLU 580.A OE2 no hydrogen 3.288 N/A ASN 585.A N ILE 582.A O no hydrogen 3.026 N/A VAL 586.A N ASN 581.A O no hydrogen 2.809 N/A THR 591.A N THR 235.A O no hydrogen 2.910 N/A THR 591.A OG1 THR 235.A O no hydrogen 3.330 N/A SER 593.A N ASP 458.A OD2 no hydrogen 2.752 N/A SER 593.A OG GLU 464.A OE1 no hydrogen 2.779 N/A LYS 595.A N SER 593.A OG no hydrogen 3.077 N/A LYS 595.A NZ GLU 464.A OE2 no hydrogen 3.134 N/A LYS 595.A NZ ASN 594.A OD1.A no hydrogen 3.092 N/A VAL 597.A N ARG 469.A O no hydrogen 2.847 N/A