Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qyr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LYS 236.A O no hydrogen 2.614 N/A ILE 6.A N GLY 250.A O no hydrogen 2.776 N/A VAL 7.A N LEU 234.A O no hydrogen 2.817 N/A ALA 9.A N ASN 99.A OD1 no hydrogen 2.870 N/A ALA 10.A N ALA 232.A O no hydrogen 3.077 N/A ARG 12.A N VAL 230.A O no hydrogen 2.797 N/A ARG 12.A NE ASP 17.A OD1 no hydrogen 3.047 N/A ARG 12.A NH2 ASP 17.A OD1 no hydrogen 3.247 N/A PHE 13.A N ALA 16.A O no hydrogen 2.900 N/A ALA 16.A N PHE 13.A O no hydrogen 3.002 N/A THR 21.A N ASP 18.A OD1 no hydrogen 2.946 N/A THR 21.A OG1 ASP 18.A OD2 no hydrogen 3.218 N/A PHE 22.A N ASP 18.A O no hydrogen 3.099 N/A TRP 23.A N LEU 19.A O no hydrogen 2.978 N/A GLN 24.A N.A ASP 20.A O no hydrogen 3.262 N/A GLN 24.A N.B ASP 20.A O no hydrogen 3.300 N/A GLN 25.A N THR 21.A O no hydrogen 3.088 N/A GLN 25.A N PHE 22.A O no hydrogen 2.999 N/A GLN 25.A NE2 GLY 15.A O no hydrogen 3.288 N/A LEU 26.A N PHE 22.A O no hydrogen 3.050 N/A ARG 27.A N TRP 23.A O no hydrogen 2.988 N/A ARG 27.A NE GLU 362.A OE1 no hydrogen 2.936 N/A ARG 27.A NH1 GLU 362.A OE2 no hydrogen 3.485 N/A ALA 28.A N GLN 24.A O.A no hydrogen 3.319 N/A GLY 29.A N LEU 26.A O no hydrogen 3.266 N/A GLU 30.A N GLN 25.A O no hydrogen 3.025 N/A LEU 32.A N ASN 339.A O no hydrogen 2.901 N/A ALA 34.A N ALA 59.A O no hydrogen 2.870 N/A TYR 36.A N LYS 57.A O no hydrogen 3.193 N/A TYR 36.A OH LEU 195.A O no hydrogen 2.680 N/A ARG 40.A NH1 LEU 195.A O no hydrogen 2.845 N/A ARG 40.A NH1 GLU 228.A OE2 no hydrogen 2.372 N/A ARG 40.A NH2 GLU 228.A OE1 no hydrogen 2.964 N/A ASP 42.A N ASP 39.A O no hydrogen 3.290 N/A GLY 44.A N PHE 41.A O no hydrogen 3.169 N/A GLU 48.A N PRO 45.A O no hydrogen 3.299 N/A VAL 50.A N TYR 46.A O no hydrogen 3.228 N/A ALA 51.A N ALA 47.A O no hydrogen 3.427 N/A ARG 52.A N GLU 48.A O no hydrogen 3.316 N/A ALA 53.A N VAL 50.A O no hydrogen 2.944 N/A LYS 57.A NZ VAL 50.A O no hydrogen 3.369 N/A PHE 58.A N PRO 56.A O no hydrogen 2.817 N/A ALA 59.A N ALA 34.A O no hydrogen 3.115 N/A GLY 60.A N ARG 226.A O no hydrogen 3.128 N/A ARG 61.A NE ASP 35.A O no hydrogen 2.695 N/A ARG 61.A NH1 ASP 35.A O no hydrogen 2.995 N/A ILE 62.A N GLU 228.A OE1 no hydrogen 2.836 N/A ASP 66.A N ASP 66.A OD1 no hydrogen 2.612 N/A ARG 67.A N GLY 64.A O no hydrogen 3.261 N/A ARG 67.A NE ASP 66.A OD1 no hydrogen 3.384 N/A ARG 67.A NE ASP 66.A OD2 no hydrogen 3.175 N/A PHE 68.A N ASP 574.A O no hydrogen 3.004 N/A ASP 69.A N GLU 91.A OE2 no hydrogen 3.118 N/A PHE 73.A N ALA 70.A O no hydrogen 3.254 N/A HIS 74.A N.A ASP 71.A O no hydrogen 3.025 N/A HIS 74.A N.B ASP 71.A O no hydrogen 3.026 N/A LEU 75.A N ALA 70.A O no hydrogen 2.870 N/A ARG 77.A NH1 GLU 81.A OE2 no hydrogen 3.255 N/A ARG 77.A NH1 ARG 575.A O no hydrogen 2.570 N/A ARG 77.A NH2 ARG 575.A O no hydrogen 3.398 N/A ALA 80.A N SER 76.A O no hydrogen 3.092 N/A GLU 81.A N ARG 77.A O no hydrogen 2.761 N/A LEU 82.A N LEU 78.A O no hydrogen 3.330 N/A GLN 85.A N ASP 83.A OD1 no hydrogen 3.051 N/A GLN 85.A NE2 ASP 83.A OD2 no hydrogen 2.884 N/A GLN 85.A NE2 GLY 119.A O no hydrogen 2.803 N/A HIS 86.A N ASP 83.A O no hydrogen 2.765 N/A ARG 87.A N ASP 83.A O no hydrogen 3.248 N/A ARG 87.A NH1 TYR 576.A O no hydrogen 2.766 N/A ARG 87.A NH2 TYR 576.A O no hydrogen 2.975 N/A LEU 88.A N PRO 84.A O no hydrogen 2.831 N/A ALA 89.A N GLN 85.A O no hydrogen 3.047 N/A LEU 90.A N HIS 86.A O no hydrogen 3.157 N/A GLU 91.A N ARG 87.A O no hydrogen 3.225 N/A THR 92.A N LEU 88.A O no hydrogen 2.932 N/A THR 92.A OG1 LEU 88.A O no hydrogen 3.286 N/A VAL 93.A N ALA 89.A O no hydrogen 2.762 N/A TRP 94.A N LEU 90.A O no hydrogen 3.054 N/A TRP 94.A NE1 GLU 98.A OE2 no hydrogen 3.149 N/A ALA 95.A N GLU 91.A O no hydrogen 2.977 N/A ALA 96.A N THR 92.A O no hydrogen 2.854 N/A LEU 97.A N VAL 93.A O no hydrogen 2.998 N/A GLU 98.A N TRP 94.A O no hydrogen 2.989 N/A ASN 99.A N ALA 95.A O no hydrogen 2.899 N/A GLY 100.A N ALA 96.A O no hydrogen 2.949 N/A GLY 100.A N LEU 97.A O no hydrogen 3.201 N/A GLY 101.A N GLU 98.A O no hydrogen 2.771 N/A TYR 102.A N LEU 97.A O no hydrogen 2.795 N/A TYR 102.A OH ASP 246.A OD1 no hydrogen 2.777 N/A TYR 102.A OH ASP 246.A OD2 no hydrogen 3.362 N/A ALA 103.A N VAL 477.A O no hydrogen 3.476 N/A ARG 106.A N ALA 103.A O no hydrogen 2.750 N/A ARG 106.A NH1 GLY 101.A O no hydrogen 3.215 N/A LEU 107.A N PRO 104.A O no hydrogen 3.123 N/A ASN 110.A ND2 ARG 184.A O.B no hydrogen 3.121 N/A THR 111.A OG1 PRO 108.A O no hydrogen 2.894 N/A VAL 113.A N PRO 158.A O no hydrogen 2.840 N/A TYR 114.A N ILE 188.A O no hydrogen 2.780 N/A TYR 114.A OH HIS 179.A ND1 no hydrogen 2.428 N/A PHE 115.A N GLU 160.A O no hydrogen 2.900 N/A GLY 116.A N GLY 190.A O no hydrogen 2.683 N/A VAL 117.A N VAL 162.A O no hydrogen 2.938 N/A SER 118.A OG ASP 163.A OD1 no hydrogen 3.128 N/A SER 118.A OG ALA 165.A O no hydrogen 3.455 N/A SER 118.A OG SER 345.A OG no hydrogen 2.680 N/A TYR 122.A OH GLU 81.A O no hydrogen 2.748 N/A HIS 123.A ND1 HIS 123.A O no hydrogen 2.839 N/A HIS 124.A N SER 120.A O no hydrogen 3.421 N/A LEU 125.A N ASP 121.A O no hydrogen 3.046 N/A LEU 126.A N TYR 122.A O no hydrogen 2.836 N/A ASN 127.A N HIS 123.A O no hydrogen 3.238 N/A ALA 128.A N HIS 124.A O no hydrogen 2.888 N/A SER 129.A N LEU 126.A O no hydrogen 3.213 N/A SER 129.A OG LEU 125.A O no hydrogen 2.447 N/A GLY 130.A N ASN 127.A O no hydrogen 3.013 N/A VAL 131.A N LEU 126.A O no hydrogen 2.982 N/A ASP 134.A N THR 137.A OG1 no hydrogen 3.062 N/A PHE 136.A N ASP 134.A OD2 no hydrogen 3.028 N/A THR 137.A N ASP 134.A O no hydrogen 3.141 N/A THR 137.A OG1 ASP 134.A O no hydrogen 3.333 N/A ASN 141.A N ALA 138.A O no hydrogen 3.285 N/A ASN 141.A ND2 LEU 82.A O no hydrogen 3.042 N/A ASN 141.A ND2 THR 137.A O no hydrogen 2.816 N/A ALA 142.A N ALA 138.A O no hydrogen 3.065 N/A ASN 147.A N SER 144.A O no hydrogen 2.860 N/A ARG 148.A NH2 HIS 86.A ND1 no hydrogen 3.372 N/A ARG 148.A NH2 THR 139.A O no hydrogen 2.956 N/A ILE 149.A N ALA 146.A O no hydrogen 2.934 N/A SER 150.A N ALA 146.A O no hydrogen 3.180 N/A SER 150.A OG SER 159.A OG no hydrogen 2.977 N/A TYR 151.A N ASN 147.A O no hydrogen 2.712 N/A VAL 152.A N ARG 148.A O no hydrogen 2.753 N/A LEU 153.A N ILE 149.A O no hydrogen 2.904 N/A ASP 154.A N TYR 151.A O no hydrogen 3.371 N/A VAL 155.A N SER 150.A O no hydrogen 3.240 N/A HIS 156.A N GLU 109.A O no hydrogen 2.622 N/A GLY 157.A N THR 111.A O no hydrogen 3.077 N/A SER 159.A OG ASN 147.A OD1 no hydrogen 3.107 N/A SER 159.A OG SER 150.A OG no hydrogen 2.977 N/A GLU 160.A N VAL 113.A O no hydrogen 2.805 N/A VAL 162.A N PHE 115.A O no hydrogen 2.716 N/A THR 164.A N SER 168.A OG no hydrogen 2.740 N/A THR 164.A OG1 SER 167.A OG no hydrogen 2.730 N/A ALA 165.A N ASP 163.A OD1 no hydrogen 3.269 N/A SER 167.A OG THR 164.A O no hydrogen 3.275 N/A SER 167.A OG THR 164.A OG1 no hydrogen 2.730 N/A SER 167.A OG ALA 416.A O no hydrogen 2.984 N/A SER 168.A N ALA 165.A O no hydrogen 3.271 N/A SER 168.A OG VAL 162.A O no hydrogen 3.364 N/A SER 168.A OG ALA 165.A O no hydrogen 2.917 N/A SER 169.A N SER 345.A O no hydrogen 3.187 N/A SER 169.A OG SER 345.A O no hydrogen 3.196 N/A VAL 171.A N SER 167.A O no hydrogen 3.071 N/A ALA 172.A N SER 168.A O no hydrogen 2.886 N/A LEU 173.A N SER 169.A O no hydrogen 3.131 N/A HIS 174.A N LEU 170.A O no hydrogen 3.001 N/A HIS 174.A ND1 SER 255.A OG no hydrogen 2.357 N/A ARG 175.A N VAL 171.A O no hydrogen 2.771 N/A ARG 175.A NE GLU 178.A OE1.A no hydrogen 2.427 N/A ALA 176.A N ALA 172.A O no hydrogen 2.863 N/A VAL 177.A N LEU 173.A O no hydrogen 2.989 N/A GLU 178.A N.A HIS 174.A O no hydrogen 2.978 N/A GLU 178.A N.B HIS 174.A O no hydrogen 3.020 N/A HIS 179.A N ARG 175.A O no hydrogen 3.092 N/A HIS 179.A ND1 TYR 114.A OH no hydrogen 2.428 N/A ILE 180.A N ALA 176.A O no hydrogen 2.969 N/A ILE 180.A N VAL 177.A O no hydrogen 3.031 N/A ARG 181.A N VAL 177.A O no hydrogen 2.815 N/A SER 182.A N GLU 178.A O.A no hydrogen 2.859 N/A SER 182.A OG GLU 178.A O.A no hydrogen 3.274 N/A SER 182.A OG GLU 178.A O.B no hydrogen 3.079 N/A SER 182.A OG HIS 179.A O no hydrogen 3.268 N/A GLY 183.A N ILE 180.A O no hydrogen 3.090 N/A ARG 184.A NH1.A ARG 184.A O.A no hydrogen 3.132 N/A ARG 184.A NH2.A HIS 156.A O no hydrogen 2.999 N/A CYS 185.A N HIS 179.A O no hydrogen 2.978 N/A CYS 185.A SG TYR 114.A OH no hydrogen 3.526 N/A GLU 186.A N ASN 110.A O no hydrogen 3.427 N/A ALA 187.A N LEU 235.A O no hydrogen 2.943 N/A ILE 188.A N GLY 112.A O no hydrogen 2.803 N/A ALA 189.A N VAL 233.A O no hydrogen 3.090 N/A GLY 190.A N TYR 114.A O no hydrogen 3.004 N/A GLY 191.A N ALA 231.A O no hydrogen 2.919 N/A VAL 192.A N GLY 116.A O no hydrogen 2.937 N/A ASN 193.A N GLY 229.A O no hydrogen 2.922 N/A ASN 193.A ND2 SER 227.A O no hydrogen 2.704 N/A LEU 194.A N GLN 85.A OE1 no hydrogen 3.072 N/A LEU 195.A N GLU 228.A OE2 no hydrogen 3.012 N/A LEU 196.A N ASP 121.A OD2 no hydrogen 3.156 N/A SER 197.A OG ASP 199.A OD2 no hydrogen 3.140 N/A VAL 198.A N TYR 46.A OH no hydrogen 3.024 N/A ALA 202.A N VAL 198.A O no hydrogen 2.970 N/A ALA 203.A N ASP 199.A O no hydrogen 3.151 N/A THR 204.A N THR 200.A O no hydrogen 2.965 N/A THR 204.A OG1 THR 200.A O no hydrogen 2.616 N/A HIS 205.A N PHE 201.A O no hydrogen 3.126 N/A GLY 207.A N HIS 205.A O no hydrogen 2.818 N/A SER 209.A N TYR 224.A O no hydrogen 2.998 N/A SER 209.A OG ARG 213.A O no hydrogen 2.929 N/A SER 209.A OG TYR 224.A O no hydrogen 3.254 N/A GLY 212.A N SER 209.A O no hydrogen 3.055 N/A ARG 213.A N ASP 211.A OD1 no hydrogen 3.372 N/A ARG 213.A NE ASP 31.A OD2 no hydrogen 3.086 N/A ARG 213.A NH1 ASP 31.A OD2 no hydrogen 2.654 N/A CYS 214.A SG THR 297.A O no hydrogen 3.295 N/A LYS 215.A NZ ASP 211.A OD2 no hydrogen 2.700 N/A LYS 215.A NZ ASP 222.A OD1 no hydrogen 3.022 N/A THR 216.A OG1 GLY 296.A O no hydrogen 2.854 N/A PHE 217.A N ASP 303.A OD2 no hydrogen 2.811 N/A SER 218.A N LYS 215.A O no hydrogen 3.133 N/A SER 218.A OG LYS 215.A O no hydrogen 2.998 N/A ALA 219.A N ARG 371.A O no hydrogen 2.850 N/A GLY 223.A N GLY 298.A O no hydrogen 3.287 N/A ARG 226.A NE GLU 344.A OE2 no hydrogen 2.826 N/A ARG 226.A NH2 GLU 344.A OE1 no hydrogen 2.884 N/A ARG 226.A NH2 GLU 344.A OE2 no hydrogen 3.466 N/A SER 227.A N HIS 342.A O no hydrogen 3.070 N/A SER 227.A OG ILE 340.A O no hydrogen 2.282 N/A GLU 228.A N GLY 60.A O no hydrogen 2.739 N/A GLY 229.A N ASN 193.A O no hydrogen 3.010 N/A VAL 230.A N ARG 12.A O no hydrogen 2.874 N/A ALA 231.A N GLY 191.A O no hydrogen 2.972 N/A ALA 232.A N ALA 10.A O no hydrogen 3.025 N/A VAL 233.A N ALA 189.A O no hydrogen 2.741 N/A LEU 234.A N GLY 8.A O no hydrogen 2.844 N/A LEU 235.A N ALA 187.A O no hydrogen 2.743 N/A LYS 236.A N ALA 5.A O no hydrogen 3.033 N/A LYS 236.A NZ TYR 102.A OH no hydrogen 2.752 N/A LYS 236.A NZ ASP 244.A OD2 no hydrogen 2.779 N/A LYS 236.A NZ ASP 246.A OD2 no hydrogen 3.386 N/A LEU 238.A N ALA 3.A O no hydrogen 2.748 N/A ALA 239.A N ASP 2.A OD2 no hydrogen 3.084 N/A GLN 240.A NE2 ASP 244.A OD1 no hydrogen 3.248 N/A GLN 240.A NE2 ASP 244.A OD2 no hydrogen 3.158 N/A ALA 241.A N PRO 237.A O no hydrogen 2.916 N/A GLN 242.A N LEU 238.A O no hydrogen 2.892 N/A GLN 242.A N ALA 239.A O no hydrogen 2.947 N/A ARG 243.A N ALA 239.A O no hydrogen 3.151 N/A ARG 243.A NH2 GLN 240.A OE1 no hydrogen 2.744 N/A ASP 244.A N GLN 240.A O no hydrogen 3.199 N/A GLY 245.A N GLN 242.A O no hydrogen 3.122 N/A ASP 246.A N ALA 241.A O no hydrogen 3.138 N/A TRP 249.A N ILE 6.A O no hydrogen 2.687 N/A TRP 249.A NE1 ASN 99.A OD1 no hydrogen 3.152 N/A VAL 251.A N GLU 423.A O no hydrogen 2.798 N/A VAL 252.A N VAL 4.A O no hydrogen 2.868 N/A ARG 253.A N VAL 421.A O no hydrogen 2.799 N/A ARG 253.A NE GLU 423.A OE2 no hydrogen 2.956 N/A ARG 253.A NH1 GLU 423.A OE1 no hydrogen 3.544 N/A GLY 254.A N VAL 421.A O no hydrogen 3.292 N/A SER 255.A OG HIS 174.A ND1 no hydrogen 2.357 N/A ALA 256.A N HIS 419.A O no hydrogen 2.944 N/A ASN 258.A N ASN 417.A O no hydrogen 2.938 N/A ASN 258.A ND2 ALA 273.A O no hydrogen 3.146 N/A HIS 259.A NE2 GLY 414.A O no hydrogen 2.944 N/A GLY 260.A N GLY 415.A O no hydrogen 2.699 N/A GLY 261.A N HIS 259.A ND1 no hydrogen 2.842 N/A ALA 268.A N SER 265.A O no hydrogen 3.269 N/A ASN 270.A ND2 GLY 260.A O no hydrogen 2.872 N/A ALA 273.A N ASN 270.A OD1 no hydrogen 3.139 N/A GLN 274.A N ASN 270.A O no hydrogen 2.944 N/A ALA 275.A N GLY 271.A O no hydrogen 2.908 N/A ALA 276.A N LYS 272.A O no hydrogen 3.132 N/A LEU 277.A N ALA 273.A O no hydrogen 2.973 N/A ILE 278.A N GLN 274.A O no hydrogen 3.330 N/A GLN 279.A N ALA 275.A O no hydrogen 3.056 N/A ASP 280.A N ALA 276.A O no hydrogen 3.078 N/A ALA 281.A N LEU 277.A O no hydrogen 3.016 N/A ASP 287.A N ASP 285.A OD2 no hydrogen 3.011 N/A SER 288.A N ASP 285.A O no hydrogen 2.895 N/A ILE 289.A N PRO 286.A O no hydrogen 3.225 N/A GLY 290.A N ARG 405.A O no hydrogen 3.123 N/A TYR 291.A OH GLU 293.A OE1 no hydrogen 2.897 N/A VAL 292.A N ALA 332.A O no hydrogen 2.918 N/A GLU 293.A N GLY 407.A O no hydrogen 2.783 N/A ALA 294.A N GLY 334.A O no hydrogen 2.843 N/A HIS 295.A N GLU 306.A OE2 no hydrogen 2.449 N/A GLY 296.A N GLU 306.A OE1 no hydrogen 2.851 N/A THR 297.A OG1 THR 299.A OG1 no hydrogen 2.824 N/A GLY 298.A N ASP 303.A OD1 no hydrogen 3.023 N/A THR 299.A OG1 THR 297.A OG1 no hydrogen 2.824 N/A VAL 305.A N LEU 301.A O no hydrogen 3.507 N/A GLU 306.A N GLY 302.A O no hydrogen 3.068 N/A VAL 307.A N ASP 303.A O no hydrogen 3.067 N/A ASN 308.A N PRO 304.A O no hydrogen 2.732 N/A ASN 308.A ND2 HIS 375.A O no hydrogen 3.379 N/A ALA 309.A N VAL 305.A O no hydrogen 2.795 N/A LEU 310.A N GLU 306.A O no hydrogen 2.939 N/A ASP 311.A N VAL 307.A O no hydrogen 3.033 N/A SER 312.A N ASN 308.A O no hydrogen 2.850 N/A ALA 313.A N ALA 309.A O no hydrogen 2.938 N/A TYR 314.A N LEU 310.A O no hydrogen 3.041 N/A ARG 315.A N ASP 311.A O no hydrogen 2.943 N/A ALA 316.A N SER 312.A O no hydrogen 3.012 N/A LEU 317.A N ALA 313.A O no hydrogen 2.898 N/A ARG 318.A N TYR 314.A O no hydrogen 2.896 N/A THR 319.A N ARG 315.A O no hydrogen 3.207 N/A THR 319.A OG1 ARG 315.A O no hydrogen 3.316 N/A ALA 320.A N ALA 316.A O no hydrogen 3.316 N/A ALA 320.A N LEU 317.A O no hydrogen 3.050 N/A GLU 321.A N ARG 318.A O no hydrogen 3.224 N/A GLY 322.A N THR 319.A O no hydrogen 3.149 N/A GLY 323.A N ARG 318.A O no hydrogen 3.221 N/A ALA 327.A N HIS 326.A ND1 no hydrogen 2.870 N/A CYS 331.A N GLY 381.A O no hydrogen 3.217 N/A CYS 331.A SG ILE 289.A O no hydrogen 3.865 N/A CYS 331.A SG ALA 332.A O no hydrogen 3.363 N/A ALA 332.A N GLY 290.A O no hydrogen 2.958 N/A GLY 334.A N VAL 292.A O no hydrogen 3.016 N/A SER 335.A OG GLY 296.A O no hydrogen 3.355 N/A VAL 336.A N GLU 293.A OE2 no hydrogen 2.747 N/A LYS 337.A NZ HIS 295.A O no hydrogen 2.779 N/A THR 338.A N SER 335.A O no hydrogen 3.293 N/A THR 338.A OG1 SER 335.A O no hydrogen 3.012 N/A THR 338.A OG1 ASN 339.A OD1 no hydrogen 3.488 N/A ASN 339.A N VAL 336.A O no hydrogen 2.733 N/A ASN 339.A ND2 GLU 30.A O no hydrogen 3.124 N/A ILE 340.A N VAL 336.A O no hydrogen 3.078 N/A GLY 341.A N LYS 337.A O no hydrogen 2.870 N/A HIS 342.A N VAL 225.A O no hydrogen 2.860 N/A SER 345.A OG SER 118.A OG no hydrogen 2.680 N/A ALA 346.A N ALA 343.A O no hydrogen 2.988 N/A ALA 347.A N GLU 344.A O no hydrogen 2.664 N/A LEU 349.A N SER 169.A OG no hydrogen 2.874 N/A ALA 350.A N ALA 346.A O no hydrogen 3.144 N/A GLY 351.A N ALA 347.A O no hydrogen 3.187 N/A VAL 352.A N GLY 348.A O no hydrogen 3.072 N/A LEU 353.A N LEU 349.A O no hydrogen 2.764 N/A LYS 354.A N ALA 350.A O no hydrogen 2.920 N/A LYS 354.A NZ TYR 291.A OH no hydrogen 2.993 N/A LYS 354.A NZ GLU 293.A OE1 no hydrogen 3.021 N/A VAL 355.A N GLY 351.A O no hydrogen 3.154 N/A LEU 356.A N VAL 352.A O no hydrogen 2.936 N/A LEU 357.A N LEU 353.A O no hydrogen 2.856 N/A ALA 358.A N LYS 354.A O no hydrogen 2.901 N/A HIS 360.A N LEU 357.A O no hydrogen 3.158 N/A HIS 360.A ND1 LEU 357.A O no hydrogen 3.149 N/A GLU 362.A N ALA 358.A O no hydrogen 3.121 N/A LEU 363.A N ARG 389.A O no hydrogen 2.871 N/A ALA 366.A N VAL 385.A O no hydrogen 2.651 N/A CYS 369.A SG THR 216.A O no hydrogen 3.580 N/A ASN 373.A N PHE 217.A O no hydrogen 2.756 N/A ASN 373.A ND2 SER 218.A O no hydrogen 3.442 N/A HIS 375.A N ASN 373.A OD1 no hydrogen 2.882 N/A LEU 376.A N ASN 373.A O no hydrogen 3.480 N/A GLU 383.A N CYS 331.A O no hydrogen 2.890 N/A VAL 385.A N LEU 333.A O no hydrogen 3.164 N/A ARG 386.A N GLU 387.A OE1 no hydrogen 2.417 N/A ARG 386.A NH1 CYS 369.A O no hydrogen 3.266 N/A ARG 389.A N LEU 363.A O no hydrogen 3.064 N/A TRP 391.A N ARG 361.A O no hydrogen 2.704 N/A CYS 394.A SG ASP 287.A O no hydrogen 3.438 N/A CYS 394.A SG ILE 289.A O no hydrogen 3.509 N/A THR 395.A OG1 GLY 399.A O no hydrogen 2.829 N/A THR 395.A OG1 ARG 400.A O no hydrogen 3.026 N/A ASP 396.A N ARG 400.A O no hydrogen 2.698 N/A THR 398.A N ASP 396.A OD1 no hydrogen 2.591 N/A ALA 406.A N LEU 422.A O no hydrogen 3.015 N/A GLY 407.A N TYR 291.A O no hydrogen 2.961 N/A VAL 408.A N VAL 420.A O no hydrogen 2.820 N/A SER 409.A N GLU 293.A O no hydrogen 3.126 N/A SER 409.A OG HIS 419.A ND1 no hydrogen 2.853 N/A SER 410.A N ALA 418.A O no hydrogen 3.023 N/A GLY 412.A N ALA 416.A O no hydrogen 2.760 N/A GLY 415.A N GLY 412.A O no hydrogen 3.039 N/A ASN 417.A N ASN 258.A O no hydrogen 2.960 N/A ASN 417.A ND2 ASN 258.A OD1 no hydrogen 3.179 N/A ALA 418.A N SER 410.A O no hydrogen 3.002 N/A HIS 419.A N ALA 256.A O no hydrogen 2.953 N/A HIS 419.A ND1 SER 409.A OG no hydrogen 2.853 N/A VAL 420.A N VAL 408.A O no hydrogen 2.832 N/A VAL 421.A N GLY 254.A O no hydrogen 2.751 N/A LEU 422.A N ALA 406.A O no hydrogen 2.784 N/A GLU 423.A N VAL 251.A O no hydrogen 2.737 N/A ALA 424.A N LEU 404.A O no hydrogen 2.820 N/A GLN 433.A N VAL 489.A O no hydrogen 3.046 N/A ILE 435.A N PHE 487.A O no hydrogen 2.783 N/A LEU 437.A N LEU 485.A O no hydrogen 2.733 N/A ALA 439.A N ARG 483.A O no hydrogen 2.954 N/A ARG 440.A N TYR 569.A OH no hydrogen 3.273 N/A ARG 440.A NH1 GLU 480.A OE2 no hydrogen 2.743 N/A ARG 440.A NH2 GLU 482.A OE1 no hydrogen 2.738 N/A ARG 440.A NH2 GLU 482.A OE2 no hydrogen 3.438 N/A ARG 444.A NH1 PRO 570.A O no hydrogen 2.959 N/A ARG 444.A NH2 ASP 443.A OD2 no hydrogen 2.980 N/A LEU 445.A N ASP 441.A O no hydrogen 3.122 N/A LEU 445.A N ASP 442.A O no hydrogen 3.074 N/A ARG 446.A N ASP 442.A O no hydrogen 3.061 N/A ARG 446.A NE PHE 502.A O no hydrogen 2.890 N/A ALA 447.A N ASP 443.A O no hydrogen 3.186 N/A THR 448.A N ARG 444.A O no hydrogen 2.894 N/A THR 448.A OG1 ARG 444.A O no hydrogen 3.124 N/A ALA 449.A N LEU 445.A O no hydrogen 2.865 N/A GLY 450.A N ARG 446.A O no hydrogen 2.851 N/A ARG 451.A N ALA 447.A O no hydrogen 3.012 N/A LEU 452.A N THR 448.A O no hydrogen 2.987 N/A ARG 453.A N ALA 449.A O no hydrogen 2.880 N/A ARG 453.A NE ASP 454.A OD1 no hydrogen 3.109 N/A ARG 453.A NH1 ASP 499.A OD1 no hydrogen 2.275 N/A ASP 454.A N GLY 450.A O no hydrogen 3.014 N/A PHE 455.A N ARG 451.A O no hydrogen 2.970 N/A LEU 456.A N LEU 452.A O no hydrogen 2.932 N/A ASP 457.A N ARG 453.A O no hydrogen 3.223 N/A ARG 458.A N ASP 454.A O no hydrogen 3.317 N/A ALA 459.A N PHE 455.A O no hydrogen 3.245 N/A ARG 460.A N ASP 457.A O no hydrogen 2.841 N/A ARG 460.A NH1 ASP 492.A OD1 no hydrogen 2.831 N/A ARG 460.A NH2 ASP 492.A OD2 no hydrogen 2.514 N/A ARG 461.A N ASP 457.A O no hydrogen 2.759 N/A GLY 463.A N ARG 460.A O no hydrogen 3.065 N/A LEU 471.A N ASP 467.A O no hydrogen 2.905 N/A ALA 472.A N LEU 468.A O no hydrogen 2.780 N/A PHE 473.A N ALA 469.A O no hydrogen 2.724 N/A THR 474.A N ASP 470.A O no hydrogen 3.060 N/A THR 474.A OG1 ASP 470.A O no hydrogen 2.959 N/A LEU 475.A N LEU 471.A O no hydrogen 3.098 N/A GLN 476.A N ALA 472.A O no hydrogen 3.063 N/A GLN 476.A N PHE 473.A O no hydrogen 3.240 N/A GLN 476.A NE2 ALA 434.A O no hydrogen 2.993 N/A VAL 477.A N PHE 473.A O no hydrogen 3.070 N/A GLY 478.A N THR 474.A O no hydrogen 2.730 N/A ARG 479.A NH1 PRO 567.A O no hydrogen 3.371 N/A ARG 479.A NH2 GLU 98.A O no hydrogen 3.196 N/A ARG 479.A NH2 GLY 478.A O no hydrogen 3.128 N/A ARG 483.A N ALA 439.A O no hydrogen 2.813 N/A ARG 483.A NE ASP 442.A OD1 no hydrogen 2.654 N/A ARG 484.A N GLY 513.A O no hydrogen 2.735 N/A ARG 484.A NH1 TRP 545.A O no hydrogen 2.721 N/A LEU 485.A N LEU 437.A O no hydrogen 2.925 N/A GLY 486.A N HIS 511.A O no hydrogen 3.415 N/A PHE 487.A N ILE 435.A O no hydrogen 2.920 N/A VAL 489.A N GLN 433.A O no hydrogen 3.126 N/A SER 491.A OG ASP 493.A OD1 no hydrogen 2.701 N/A ASP 493.A N SER 491.A OG no hydrogen 3.330 N/A GLY 496.A N ASP 492.A O no hydrogen 2.874 N/A THR 497.A N ASP 493.A O no hydrogen 3.152 N/A THR 497.A OG1 ASP 493.A O no hydrogen 2.718 N/A LEU 498.A N VAL 494.A O no hydrogen 3.085 N/A ASP 499.A N LEU 495.A O no hydrogen 3.180 N/A ARG 500.A N GLY 496.A O no hydrogen 3.187 N/A PHE 501.A N THR 497.A O no hydrogen 3.281 N/A PHE 502.A N LEU 498.A O no hydrogen 3.025 N/A ALA 503.A N ASP 499.A O no hydrogen 3.150 N/A GLY 504.A N PHE 501.A O no hydrogen 3.062 N/A ASP 505.A N ARG 500.A O no hydrogen 3.031 N/A HIS 511.A N GLY 486.A O no hydrogen 2.890 N/A HIS 511.A NE2 ASP 539.A OD1 no hydrogen 2.435 N/A GLY 513.A N ARG 484.A O no hydrogen 2.811 N/A ARG 521.A NH1 LEU 153.A O no hydrogen 2.790 N/A ARG 521.A NH1 ASP 154.A O no hydrogen 2.240 N/A ARG 521.A NH2 LEU 107.A O no hydrogen 2.807 N/A GLN 525.A NE2 THR 530.A OG1 no hydrogen 3.416 N/A ALA 526.A N PRO 550.A O no hydrogen 3.145 N/A THR 530.A N ALA 526.A O no hydrogen 3.004 N/A THR 530.A OG1 ALA 526.A O no hydrogen 2.870 N/A ARG 531.A N GLU 528.A O no hydrogen 3.195 N/A ALA 532.A N GLU 528.A O no hydrogen 2.867 N/A LEU 533.A N VAL 529.A O no hydrogen 3.036 N/A ASP 535.A N ARG 531.A O no hydrogen 3.183 N/A ASP 535.A N ALA 532.A O no hydrogen 3.241 N/A GLY 536.A N ALA 532.A O no hydrogen 3.166 N/A ARG 537.A N ALA 532.A O no hydrogen 3.190 N/A ARG 540.A N ARG 537.A O no hydrogen 3.158 N/A VAL 541.A N ARG 537.A O no hydrogen 3.405 N/A THR 542.A N LEU 538.A O no hydrogen 2.908 N/A ALA 543.A N ASP 539.A O no hydrogen 2.838 N/A LEU 544.A N ARG 540.A O no hydrogen 2.783 N/A TRP 545.A N VAL 541.A O no hydrogen 2.742 N/A CYS 546.A N THR 542.A O no hydrogen 3.212 N/A CYS 546.A SG THR 542.A O no hydrogen 3.207 N/A ASP 547.A N LEU 544.A O no hydrogen 3.136 N/A GLY 548.A N TRP 545.A O no hydrogen 3.367 N/A ALA 549.A N LEU 544.A O no hydrogen 2.979 N/A ASP 552.A N GLN 525.A OE1 no hydrogen 3.194 N/A ALA 555.A N ASP 552.A O no hydrogen 2.966 N/A HIS 556.A ND1 TRP 553.A O no hydrogen 3.055 N/A GLU 560.A N PRO 557.A O no hydrogen 2.942 N/A ARG 562.A N ASP 470.A OD2 no hydrogen 2.793 N/A ALA 563.A N GLY 245.A O no hydrogen 2.939 N/A VAL 564.A N THR 474.A OG1 no hydrogen 3.131 N/A ARG 565.A NH2.A ALA 247.A O no hydrogen 3.144 N/A TYR 569.A N GLU 98.A OE1 no hydrogen 2.706 N/A PHE 571.A N TYR 569.A O no hydrogen 2.980 N/A ALA 572.A N ASP 69.A OD2 no hydrogen 2.947 N/A TYR 576.A N ASP 66.A O no hydrogen 2.778 N/A