Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iss_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N GLY 163.A O no hydrogen 2.755 N/A TRP 6.A N THR 3.A O no hydrogen 3.286 N/A SER 7.A N ASP 10.A OD2 no hydrogen 3.050 N/A VAL 8.A N ASP 220.A OD2 no hydrogen 3.235 N/A GLN 9.A NE2 SER 13.A OG no hydrogen 3.041 N/A ASP 10.A N SER 7.A OG no hydrogen 2.913 N/A TRP 11.A N SER 7.A O no hydrogen 3.091 N/A LEU 12.A N VAL 8.A O no hydrogen 2.935 N/A SER 13.A N GLN 9.A O no hydrogen 2.867 N/A SER 13.A OG GLN 9.A O no hydrogen 3.414 N/A PHE 14.A N ASP 10.A O no hydrogen 3.070 N/A HIS 15.A N TRP 11.A O no hydrogen 3.129 N/A HIS 15.A NE2 GLY 72.A O no hydrogen 2.700 N/A SER 16.A N LEU 12.A O no hydrogen 2.991 N/A SER 16.A OG LEU 12.A O no hydrogen 3.248 N/A SER 16.A OG SER 13.A O no hydrogen 2.611 N/A LYS 17.A N SER 13.A O no hydrogen 3.228 N/A LYS 17.A NZ SER 18.A OG no hydrogen 3.278 N/A SER 18.A N HIS 15.A O no hydrogen 3.329 N/A SER 18.A OG PHE 14.A O no hydrogen 3.421 N/A THR 21.A N THR 19.A OG1 no hydrogen 3.220 N/A LYS 22.A N THR 19.A OG1 no hydrogen 3.024 N/A SER 23.A N THR 19.A O no hydrogen 2.991 N/A SER 23.A OG THR 19.A O no hydrogen 3.232 N/A LEU 24.A N PRO 20.A O no hydrogen 3.296 N/A GLU 25.A N THR 21.A O no hydrogen 3.015 N/A LEU 26.A N LYS 22.A O no hydrogen 3.400 N/A LEU 27.A N SER 23.A O no hydrogen 3.419 N/A LEU 27.A N LEU 24.A O no hydrogen 3.236 N/A GLU 28.A N LEU 24.A O no hydrogen 3.006 N/A ASN 29.A N GLU 25.A O no hydrogen 2.714 N/A LEU 30.A N LEU 26.A O no hydrogen 2.908 N/A LEU 31.A N LEU 27.A O no hydrogen 2.699 N/A LYS 32.A N GLU 28.A O no hydrogen 2.941 N/A SER 33.A N ASN 29.A O no hydrogen 3.278 N/A SER 33.A N LEU 30.A O no hydrogen 3.229 N/A SER 33.A OG LEU 30.A O no hydrogen 2.688 N/A GLN 34.A N LEU 31.A O no hydrogen 3.247 N/A GLN 34.A NE2 SER 33.A OG no hydrogen 3.111 N/A ASP 40.A N PRO 36.A O no hydrogen 2.928 N/A ALA 42.A N ASP 40.A OD2 no hydrogen 2.886 N/A TRP 43.A N ASP 40.A O no hydrogen 3.169 N/A TRP 43.A NE1 GLN 34.A OE1 no hydrogen 3.144 N/A ILE 44.A N LYS 119.A O no hydrogen 2.983 N/A SER 45.A N LYS 119.A O no hydrogen 3.313 N/A ILE 47.A N ILE 117.A O no hydrogen 2.883 N/A LEU 52.A N PRO 48.A O no hydrogen 3.075 N/A HIS 53.A N VAL 49.A O no hydrogen 2.943 N/A HIS 54.A N GLU 50.A O no hydrogen 2.867 N/A GLN 55.A N ASP 51.A O no hydrogen 2.892 N/A TRP 56.A N LEU 52.A O no hydrogen 3.045 N/A ASN 57.A N HIS 53.A O no hydrogen 2.677 N/A ILE 58.A N HIS 54.A O no hydrogen 3.008 N/A LEU 59.A N GLN 55.A O no hydrogen 2.874 N/A GLN 60.A N TRP 56.A O no hydrogen 3.019 N/A GLN 60.A NE2 TRP 56.A O no hydrogen 3.633 N/A GLN 60.A NE2 TYR 71.A OH no hydrogen 2.970 N/A SER 61.A N ASN 57.A O no hydrogen 2.973 N/A SER 61.A OG ASN 57.A O no hydrogen 2.970 N/A SER 61.A OG ILE 58.A O no hydrogen 3.084 N/A LYS 62.A N LEU 59.A O no hydrogen 3.235 N/A LYS 65.A NZ GLN 60.A O no hydrogen 2.684 N/A LYS 65.A NZ LYS 62.A O no hydrogen 2.800 N/A LEU 70.A N ALA 112.A O no hydrogen 2.749 N/A TYR 71.A N LEU 68.A O no hydrogen 3.184 N/A GLY 72.A N GLY 113.A O no hydrogen 2.718 N/A VAL 73.A N LEU 70.A O no hydrogen 3.147 N/A ILE 75.A N VAL 115.A O no hydrogen 2.809 N/A ALA 76.A N LEU 167.A O no hydrogen 3.449 N/A VAL 77.A N GLY 118.A O no hydrogen 3.088 N/A LYS 78.A N LEU 169.A O no hydrogen 3.264 N/A LYS 78.A NZ SER 152.A OG no hydrogen 2.847 N/A LYS 78.A NZ SER 153.A OG no hydrogen 2.831 N/A LYS 78.A NZ THR 171.A O no hydrogen 3.299 N/A LYS 78.A NZ THR 171.A OG1 no hydrogen 2.587 N/A ASP 79.A N THR 120.A O no hydrogen 2.925 N/A ILE 81.A N LYS 78.A O no hydrogen 3.044 N/A ASP 82.A N GLY 200.A O no hydrogen 2.861 N/A TYR 83.A OH ASP 51.A OD2 no hydrogen 2.573 N/A LYS 84.A N ASP 102.A OD1 no hydrogen 2.760 N/A LEU 86.A N TYR 83.A O no hydrogen 3.227 N/A THR 88.A N TYR 97.A O no hydrogen 2.857 N/A THR 88.A OG1 ASP 82.A OD1 no hydrogen 2.800 N/A ALA 90.A N ASP 79.A O no hydrogen 2.726 N/A CYS 92.A N THR 89.A O no hydrogen 2.989 N/A CYS 92.A SG SER 327.A O no hydrogen 3.639 N/A CYS 92.A SG SER 327.A OG no hydrogen 3.431 N/A SER 94.A N SER 327.A OG no hydrogen 2.794 N/A SER 94.A OG SER 327.A OG no hydrogen 2.406 N/A TYR 95.A N CYS 92.A O no hydrogen 2.721 N/A LEU 96.A N PRO 93.A O no hydrogen 3.372 N/A TYR 97.A N THR 88.A O no hydrogen 2.863 N/A TYR 97.A OH ASP 82.A OD1 no hydrogen 2.661 N/A GLN 98.A NE2 LEU 86.A O no hydrogen 3.005 N/A GLN 98.A NE2 PRO 99.A O no hydrogen 3.037 N/A ARG 101.A NH2 GLU 234.A OE2 no hydrogen 2.975 N/A SER 103.A N ASP 82.A O no hydrogen 2.984 N/A SER 103.A OG ASP 82.A O no hydrogen 3.276 N/A SER 103.A OG ARG 199.A O no hydrogen 3.470 N/A SER 103.A OG GLY 200.A O no hydrogen 2.918 N/A TYR 104.A N ARG 199.A O no hydrogen 3.056 N/A GLU 107.A N SER 103.A O no hydrogen 2.955 N/A LEU 108.A N TYR 104.A O no hydrogen 2.831 N/A LEU 109.A N VAL 105.A O no hydrogen 2.916 N/A ARG 110.A N VAL 106.A O no hydrogen 2.779 N/A ARG 110.A NH1 ASP 102.A OD2 no hydrogen 2.833 N/A ASP 111.A N GLU 107.A O no hydrogen 2.940 N/A ALA 112.A N LEU 108.A O no hydrogen 3.156 N/A ALA 112.A N LEU 109.A O no hydrogen 2.989 N/A GLY 113.A N ARG 110.A O no hydrogen 2.686 N/A ALA 114.A N LEU 109.A O no hydrogen 3.043 N/A VAL 115.A N VAL 73.A O no hydrogen 2.960 N/A ILE 117.A N ILE 75.A O no hydrogen 2.998 N/A LYS 119.A N SER 45.A O no hydrogen 2.891 N/A LYS 119.A NZ ASP 79.A OD2 no hydrogen 2.912 N/A LYS 119.A NZ ILE 81.A O no hydrogen 2.723 N/A THR 120.A N VAL 77.A O no hydrogen 2.836 N/A THR 120.A OG1 ALA 42.A O no hydrogen 3.130 N/A ASN 121.A N ALA 42.A O no hydrogen 3.025 N/A ASN 121.A ND2 PRO 41.A O no hydrogen 3.216 N/A ASN 121.A ND2 GLY 137.A O no hydrogen 2.843 N/A ASP 123.A N SER 152.A O no hydrogen 3.135 N/A GLN 124.A N ARG 133.A O no hydrogen 2.853 N/A GLN 124.A NE2 ALA 91.A O no hydrogen 2.815 N/A GLN 124.A NE2 SER 327.A O no hydrogen 2.842 N/A PHE 125.A N ALA 90.A O no hydrogen 2.942 N/A ALA 126.A N ASP 123.A O no hydrogen 2.828 N/A THR 127.A N GLN 124.A O no hydrogen 3.155 N/A THR 127.A OG1 GLN 124.A O no hydrogen 3.278 N/A THR 127.A OG1 PHE 125.A O no hydrogen 2.898 N/A GLY 131.A N ASP 123.A OD1 no hydrogen 2.790 N/A ARG 133.A N ASP 123.A OD2 no hydrogen 2.813 N/A ARG 133.A NH1 THR 127.A O no hydrogen 2.997 N/A ARG 133.A NH2 PRO 389.A O no hydrogen 3.011 N/A SER 134.A OG ASN 121.A OD1 no hydrogen 2.514 N/A TYR 136.A N SER 134.A OG no hydrogen 2.997 N/A GLY 137.A N SER 134.A O no hydrogen 3.147 N/A LYS 138.A NZ THR 132.A O no hydrogen 3.527 N/A CYS 141.A N TYR 147.A O no hydrogen 2.751 N/A CYS 141.A SG LEU 183.A O no hydrogen 3.451 N/A VAL 142.A N ASN 184.A OD1 no hydrogen 3.032 N/A ASN 144.A N CYS 141.A O no hydrogen 3.243 N/A TYR 147.A N ASN 144.A O no hydrogen 2.977 N/A VAL 148.A N PRO 380.A O no hydrogen 3.026 N/A SER 149.A N THR 139.A O no hydrogen 3.182 N/A SER 149.A OG THR 139.A O no hydrogen 3.070 N/A SER 149.A OG GLY 150.A O no hydrogen 3.117 N/A GLY 150.A N VAL 130.A O no hydrogen 3.209 N/A GLY 151.A N LEU 129.A O no hydrogen 2.809 N/A SER 152.A N SER 176.A OG no hydrogen 2.921 N/A SER 152.A OG ALA 126.A O no hydrogen 3.153 N/A SER 152.A OG SER 176.A OG no hydrogen 3.007 N/A SER 153.A OG THR 171.A O no hydrogen 3.319 N/A SER 153.A OG SER 176.A O no hydrogen 2.790 N/A GLY 155.A N ASN 121.A O no hydrogen 2.695 N/A SER 156.A OG LEU 169.A O no hydrogen 2.820 N/A ALA 157.A N SER 153.A O no hydrogen 3.212 N/A SER 158.A N ALA 154.A O no hydrogen 3.139 N/A VAL 159.A N GLY 155.A O no hydrogen 3.024 N/A VAL 160.A N SER 156.A O no hydrogen 3.258 N/A GLY 161.A N ALA 157.A O no hydrogen 2.692 N/A ARG 162.A N SER 158.A O no hydrogen 2.945 N/A ARG 162.A NE SER 158.A OG no hydrogen 3.024 N/A ARG 162.A NH1 ASP 40.A OD1 no hydrogen 3.556 N/A ARG 162.A NH2 ASP 40.A OD1 no hydrogen 2.849 N/A ARG 162.A NH2 ASP 40.A OD2 no hydrogen 3.310 N/A ARG 162.A NH2 SER 158.A OG no hydrogen 3.036 N/A GLY 163.A N VAL 160.A O no hydrogen 2.717 N/A ILE 164.A N VAL 159.A O no hydrogen 3.194 N/A SER 168.A N PHE 214.A O no hydrogen 3.106 N/A SER 168.A OG SER 156.A O no hydrogen 2.853 N/A LEU 169.A N ALA 76.A O no hydrogen 3.197 N/A GLY 170.A N SER 212.A O no hydrogen 2.830 N/A THR 171.A N SER 153.A OG no hydrogen 3.283 N/A ASP 172.A N CYS 210.A O no hydrogen 2.785 N/A THR 173.A OG1 ASP 209.A OD1 no hydrogen 2.844 N/A GLY 175.A N ASP 172.A OD1 no hydrogen 2.743 N/A SER 176.A OG GLY 128.A O no hydrogen 3.435 N/A SER 176.A OG SER 152.A OG no hydrogen 3.007 N/A GLY 177.A N ASP 172.A OD2 no hydrogen 2.812 N/A ARG 178.A N GLY 175.A O no hydrogen 2.795 N/A ARG 178.A NE ASP 172.A OD2 no hydrogen 2.990 N/A ARG 178.A NH1 THR 400.A O no hydrogen 3.251 N/A ARG 178.A NH2 ASP 172.A OD1 no hydrogen 2.719 N/A ARG 178.A NH2 ASP 172.A OD2 no hydrogen 3.558 N/A ARG 178.A NH2 THR 400.A O no hydrogen 3.452 N/A VAL 179.A N GLY 175.A O no hydrogen 2.974 N/A ALA 181.A N ARG 178.A O no hydrogen 3.013 N/A ALA 182.A N ARG 178.A O no hydrogen 3.304 N/A LEU 183.A N VAL 179.A O no hydrogen 3.111 N/A ASN 184.A N ALA 181.A O no hydrogen 3.261 N/A ASN 184.A ND2 SER 149.A O no hydrogen 2.816 N/A ASN 184.A ND2 PRO 180.A O no hydrogen 2.956 N/A ASN 185.A N ALA 182.A O no hydrogen 3.495 N/A ASN 185.A ND2 GLY 458.A O no hydrogen 2.765 N/A LEU 186.A N ALA 181.A O no hydrogen 2.928 N/A ILE 187.A N ALA 215.A O no hydrogen 2.823 N/A GLY 188.A N ALA 412.A O no hydrogen 2.845 N/A LEU 189.A N VAL 213.A O no hydrogen 2.860 N/A LYS 190.A N ALA 410.A O no hydrogen 2.862 N/A THR 192.A N ASP 435.A OD2 no hydrogen 2.768 N/A THR 192.A OG1 ASP 435.A OD1 no hydrogen 2.729 N/A LYS 193.A NZ SER 207.A O no hydrogen 2.957 N/A ALA 195.A N THR 192.A O no hydrogen 3.178 N/A SER 197.A OG ASP 231.A OD2 no hydrogen 2.760 N/A CYS 198.A N ASP 235.A OD2 no hydrogen 2.715 N/A CYS 198.A SG ASP 209.A O no hydrogen 3.910 N/A ARG 199.A N SER 197.A OG no hydrogen 2.874 N/A ARG 199.A NH1 GLU 234.A OE1 no hydrogen 2.913 N/A ARG 199.A NH2 ASP 102.A O no hydrogen 2.911 N/A ARG 199.A NH2 GLU 107.A OE1 no hydrogen 3.075 N/A VAL 201.A N CYS 198.A O no hydrogen 3.017 N/A VAL 202.A N ASN 80.A O no hydrogen 2.844 N/A CYS 205.A SG TRP 307.A O no hydrogen 3.841 N/A LYS 206.A NZ GLU 236.A OE1 no hydrogen 2.826 N/A SER 207.A N GLU 310.A OE2 no hydrogen 2.822 N/A SER 207.A OG GLU 310.A OE1 no hydrogen 2.696 N/A SER 207.A OG GLU 310.A OE2 no hydrogen 3.414 N/A LEU 208.A N CYS 205.A O no hydrogen 2.823 N/A ASP 209.A N CYS 205.A O no hydrogen 2.969 N/A CYS 210.A N ASP 172.A O no hydrogen 3.011 N/A CYS 210.A SG PRO 191.A O no hydrogen 3.715 N/A SER 212.A N GLY 170.A O no hydrogen 2.885 N/A VAL 213.A N LEU 189.A O no hydrogen 3.109 N/A PHE 214.A N SER 168.A O no hydrogen 2.840 N/A ALA 215.A N ILE 187.A O no hydrogen 3.017 N/A ASN 217.A ND2 ASP 220.A OD2 no hydrogen 3.103 N/A LEU 218.A N ASP 469.A OD1 no hydrogen 2.835 N/A SER 219.A N GLU 468.A O no hydrogen 3.038 N/A SER 219.A OG GLU 470.A O no hydrogen 3.476 N/A ASP 220.A N ASN 217.A O no hydrogen 3.203 N/A ASP 220.A N ASN 217.A OD1 no hydrogen 2.814 N/A ALA 221.A N ASN 217.A O no hydrogen 3.240 N/A GLU 222.A N LEU 218.A O no hydrogen 2.935 N/A ILE 223.A N SER 219.A O no hydrogen 3.033 N/A ALA 224.A N ASP 220.A O no hydrogen 2.968 N/A PHE 225.A N ALA 221.A O no hydrogen 2.891 N/A LYS 226.A N GLU 222.A O no hydrogen 2.942 N/A LYS 226.A NZ GLY 473.A O no hydrogen 2.743 N/A VAL 227.A N ILE 223.A O no hydrogen 3.021 N/A LYS 229.A N ALA 195.A O no hydrogen 3.224 N/A ASP 231.A N SER 238.A OG no hydrogen 2.984 N/A GLU 234.A N ASP 231.A O no hydrogen 3.246 N/A ASP 235.A N ASP 231.A O no hydrogen 3.057 N/A TYR 237.A N ASP 235.A OD1 no hydrogen 2.717 N/A SER 238.A N ASP 235.A O no hydrogen 3.086 N/A ARG 239.A N GLY 194.A O no hydrogen 2.842 N/A ARG 239.A NH1 ASP 407.A OD1 no hydrogen 3.460 N/A ARG 239.A NH2 ASP 407.A OD2 no hydrogen 2.525 N/A LYS 243.A NZ ASP 477.A O no hydrogen 3.227 N/A ASN 244.A N THR 478.A O no hydrogen 2.891 N/A ASN 244.A ND2 ASN 480.A O no hydrogen 2.763 N/A GLN 248.A NE2 ASP 440.A OD1 no hydrogen 3.515 N/A LEU 253.A N PRO 250.A O no hydrogen 3.132 N/A THR 254.A N ASP 369.A OD2 no hydrogen 2.824 N/A ILE 255.A N LYS 286.A O no hydrogen 2.700 N/A ALA 256.A N VAL 370.A O no hydrogen 2.759 N/A ILE 257.A N VAL 288.A O no hydrogen 2.810 N/A LYS 259.A N VAL 290.A O no hydrogen 2.957 N/A GLU 266.A N TRP 263.A O no hydrogen 3.051 N/A ASN 269.A N GLU 266.A OE2 no hydrogen 2.747 N/A ASN 269.A ND2 PRO 377.A O no hydrogen 2.716 N/A ASN 269.A ND2 ASN 379.A OD1 no hydrogen 3.054 N/A LYS 271.A N GLU 268.A O no hydrogen 2.943 N/A LYS 271.A NZ GLU 268.A OE2 no hydrogen 3.176 N/A TYR 273.A N ASN 269.A O no hydrogen 3.226 N/A TYR 273.A OH CYS 372.A O no hydrogen 2.780 N/A THR 274.A N PRO 270.A O no hydrogen 3.094 N/A THR 274.A OG1 PRO 270.A O no hydrogen 3.063 N/A LYS 275.A N LYS 271.A O no hydrogen 3.132 N/A ALA 276.A N LEU 272.A O no hydrogen 2.959 N/A VAL 277.A N TYR 273.A O no hydrogen 2.987 N/A ALA 278.A N THR 274.A O no hydrogen 3.090 N/A SER 279.A N LYS 275.A O no hydrogen 2.976 N/A SER 279.A OG LYS 275.A O no hydrogen 3.234 N/A LEU 280.A N ALA 276.A O no hydrogen 2.955 N/A LYS 281.A N VAL 277.A O no hydrogen 2.983 N/A ASN 282.A N ALA 278.A O no hydrogen 3.098 N/A THR 283.A N LEU 280.A O no hydrogen 2.845 N/A THR 283.A OG1 LEU 280.A O no hydrogen 2.709 N/A GLY 284.A N LYS 281.A O no hydrogen 2.768 N/A LYS 286.A N LEU 253.A O no hydrogen 2.703 N/A VAL 288.A N ILE 255.A O no hydrogen 2.932 N/A VAL 290.A N ILE 257.A O no hydrogen 2.862 N/A GLU 293.A N ASP 291.A OD1 no hydrogen 2.864 N/A LEU 296.A N PHE 292.A O no hydrogen 2.906 N/A GLU 297.A N GLU 293.A O no hydrogen 2.728 N/A LEU 298.A N PRO 294.A O no hydrogen 2.877 N/A ALA 299.A N LEU 295.A O no hydrogen 2.870 N/A ARG 300.A N LEU 296.A O no hydrogen 2.820 N/A CYS 301.A N GLU 297.A O no hydrogen 2.931 N/A CYS 301.A SG PHE 350.A O no hydrogen 3.730 N/A LEU 302.A N LEU 298.A O no hydrogen 3.134 N/A TYR 303.A N ALA 299.A O no hydrogen 3.238 N/A GLU 304.A N ARG 300.A O no hydrogen 2.757 N/A ALA 309.A N ALA 306.A O no hydrogen 2.598 N/A GLU 310.A N TRP 307.A O no hydrogen 2.716 N/A TYR 312.A N VAL 308.A O no hydrogen 3.019 N/A CYS 313.A N ALA 309.A O no hydrogen 2.765 N/A ALA 314.A N GLU 310.A O no hydrogen 3.099 N/A THR 315.A N TYR 312.A O no hydrogen 3.134 N/A THR 315.A OG1 ARG 311.A O no hydrogen 2.950 N/A ARG 316.A N TYR 312.A O no hydrogen 2.820 N/A LEU 319.A N THR 315.A O no hydrogen 2.863 N/A ALA 320.A N ARG 316.A O no hydrogen 3.009 N/A THR 321.A N PHE 318.A O no hydrogen 3.103 N/A ASN 322.A N LEU 319.A O no hydrogen 3.159 N/A SER 327.A N PRO 324.A O no hydrogen 2.925 N/A SER 327.A OG SER 94.A OG no hydrogen 2.406 N/A LEU 328.A N GLU 325.A O no hydrogen 2.904 N/A ASP 329.A N GLN 124.A OE1 no hydrogen 2.688 N/A VAL 332.A N ASP 329.A OD1 no hydrogen 2.918 N/A VAL 333.A N ASP 329.A O no hydrogen 3.063 N/A ASN 334.A N GLU 330.A O no hydrogen 2.791 N/A ILE 335.A N THR 331.A O no hydrogen 3.008 N/A ILE 336.A N VAL 332.A O no hydrogen 2.964 N/A LYS 337.A N VAL 333.A O no hydrogen 3.069 N/A GLY 338.A N ASN 334.A O no hydrogen 3.261 N/A GLY 338.A N ILE 335.A O no hydrogen 2.914 N/A ALA 339.A N ILE 336.A O no hydrogen 3.308 N/A VAL 340.A N LYS 337.A O no hydrogen 2.949 N/A PHE 342.A N ALA 339.A O no hydrogen 3.157 N/A ASP 343.A N ASP 346.A OD2 no hydrogen 2.924 N/A ASP 346.A N ASP 343.A OD1 no hydrogen 2.769 N/A ALA 347.A N ASP 343.A O no hydrogen 3.054 N/A PHE 348.A N ALA 344.A O no hydrogen 3.119 N/A LYS 349.A N ALA 345.A O no hydrogen 2.966 N/A PHE 350.A N ASP 346.A O no hydrogen 3.220 N/A PHE 350.A N ALA 347.A O no hydrogen 3.255 N/A GLU 351.A N ALA 347.A O no hydrogen 2.953 N/A TYR 352.A N PHE 348.A O no hydrogen 2.877 N/A LYS 353.A N LYS 349.A O no hydrogen 3.256 N/A LYS 353.A NZ GLU 304.A OE1 no hydrogen 3.440 N/A ARG 354.A N PHE 350.A O no hydrogen 2.765 N/A ARG 354.A NH1 GLU 351.A OE1 no hydrogen 2.830 N/A GLN 355.A N GLU 351.A O no hydrogen 3.002 N/A GLY 356.A N TYR 352.A O no hydrogen 2.981 N/A ILE 357.A N LYS 353.A O no hydrogen 2.967 N/A LEU 358.A N ARG 354.A O no hydrogen 2.908 N/A GLN 359.A N GLN 355.A O no hydrogen 3.237 N/A VAL 361.A N ILE 357.A O no hydrogen 2.837 N/A ASN 362.A N LEU 358.A O no hydrogen 2.621 N/A LEU 363.A N GLN 359.A O no hydrogen 3.098 N/A LEU 364.A N LYS 360.A O no hydrogen 3.042 N/A LEU 365.A N VAL 361.A O no hydrogen 3.117 N/A ILE 368.A N LEU 365.A O no hydrogen 3.113 N/A ASP 369.A N THR 254.A O no hydrogen 2.978 N/A VAL 370.A N THR 254.A O no hydrogen 3.071 N/A LEU 371.A N ILE 429.A O no hydrogen 2.845 N/A CYS 372.A N ALA 256.A O no hydrogen 2.941 N/A VAL 373.A N THR 427.A O no hydrogen 3.033 N/A THR 375.A N GLY 425.A O no hydrogen 2.954 N/A CYS 376.A SG LEU 378.A O no hydrogen 3.620 N/A CYS 376.A SG ASN 424.A OD1 no hydrogen 3.882 N/A LEU 378.A N GLN 396.A OE1 no hydrogen 2.982 N/A ASN 379.A ND2 PRO 423.A O no hydrogen 2.810 N/A LYS 381.A N GLU 384.A OE1 no hydrogen 2.887 N/A LEU 382.A N LYS 146.A O no hydrogen 2.684 N/A GLU 384.A N LYS 381.A O no hydrogen 2.886 N/A VAL 385.A N LYS 381.A O no hydrogen 3.305 N/A ALA 386.A N LEU 382.A O no hydrogen 3.330 N/A GLN 387.A N GLU 383.A O no hydrogen 2.902 N/A GLU 388.A N GLU 384.A O no hydrogen 3.080 N/A SER 394.A N VAL 390.A O no hydrogen 2.960 N/A SER 394.A OG VAL 390.A O no hydrogen 3.063 N/A ARG 395.A N LEU 391.A O no hydrogen 3.168 N/A GLN 396.A N VAL 392.A O no hydrogen 2.919 N/A GLN 396.A N ASN 393.A O no hydrogen 2.947 N/A GLN 396.A NE2 LEU 378.A O no hydrogen 3.138 N/A GLY 397.A N ASN 393.A O no hydrogen 3.269 N/A GLY 397.A N SER 394.A O no hydrogen 3.178 N/A THR 398.A N ARG 395.A O no hydrogen 3.285 N/A THR 398.A OG1 ARG 395.A O no hydrogen 2.449 N/A THR 400.A N GLY 397.A O no hydrogen 3.389 N/A THR 400.A OG1 ALA 174.A O no hydrogen 2.762 N/A THR 400.A OG1 ASN 401.A OD1 no hydrogen 3.331 N/A ASN 401.A N GLY 397.A O no hydrogen 3.416 N/A VAL 403.A N THR 400.A O no hydrogen 3.465 N/A ALA 406.A N VAL 403.A O no hydrogen 3.113 N/A ASP 407.A N ASN 404.A O no hydrogen 3.210 N/A LEU 408.A N VAL 403.A O no hydrogen 3.200 N/A ALA 409.A N GLY 430.A O no hydrogen 2.820 N/A ALA 410.A N LYS 190.A O no hydrogen 3.090 N/A LEU 411.A N LEU 428.A O no hydrogen 2.965 N/A ALA 412.A N GLY 188.A O no hydrogen 2.759 N/A VAL 413.A N ILE 426.A O no hydrogen 2.811 N/A SER 415.A N ASN 424.A O no hydrogen 2.904 N/A SER 415.A OG ASN 424.A O no hydrogen 3.416 N/A ARG 418.A N LEU 422.A O no hydrogen 2.905 N/A ARG 418.A NE ASP 420.A OD2 no hydrogen 3.114 N/A ARG 418.A NH1 GLU 266.A OE1 no hydrogen 3.245 N/A ARG 418.A NH1 ASN 269.A OD1 no hydrogen 3.096 N/A ARG 418.A NH2 ASP 420.A OD1 no hydrogen 3.090 N/A SER 419.A N GLU 268.A OE1 no hydrogen 3.216 N/A SER 419.A OG GLU 268.A OE1 no hydrogen 2.580 N/A GLY 421.A N ARG 418.A O no hydrogen 2.970 N/A ASN 424.A N GLY 416.A O no hydrogen 3.159 N/A ASN 424.A ND2 GLY 425.A O no hydrogen 3.347 N/A ILE 426.A N VAL 413.A O no hydrogen 2.933 N/A THR 427.A N VAL 373.A O no hydrogen 2.802 N/A LEU 428.A N LEU 411.A O no hydrogen 2.858 N/A ILE 429.A N LEU 371.A O no hydrogen 2.803 N/A GLY 430.A N ALA 409.A O no hydrogen 2.949 N/A LYS 431.A NZ LEU 365.A O no hydrogen 2.872 N/A LYS 431.A NZ ILE 368.A O no hydrogen 3.057 N/A PHE 433.A N THR 192.A OG1 no hydrogen 2.769 N/A SER 434.A N LYS 431.A O no hydrogen 3.089 N/A SER 434.A OG LYS 431.A O no hydrogen 2.549 N/A ASP 435.A N ASP 435.A OD1 no hydrogen 2.523 N/A LEU 438.A N SER 434.A O no hydrogen 2.844 N/A LEU 439.A N ASP 435.A O no hydrogen 3.183 N/A ASP 440.A N TYR 436.A O no hydrogen 3.267 N/A LEU 441.A N ALA 437.A O no hydrogen 2.822 N/A ALA 442.A N LEU 438.A O no hydrogen 2.845 N/A LYS 443.A N LEU 439.A O no hydrogen 2.996 N/A LYS 443.A NZ ASP 440.A OD1 no hydrogen 3.488 N/A ARG 444.A N ASP 440.A O no hydrogen 3.016 N/A ARG 444.A NH1 TYR 249.A O no hydrogen 3.010 N/A ARG 444.A NH1 ASP 440.A OD2 no hydrogen 3.435 N/A ARG 444.A NH2 PRO 250.A O no hydrogen 3.350 N/A PHE 445.A N LEU 441.A O no hydrogen 2.795 N/A PHE 446.A N ALA 442.A O no hydrogen 2.651 N/A SER 447.A N LYS 443.A O no hydrogen 3.090 N/A SER 447.A OG ARG 444.A O no hydrogen 3.058 N/A VAL 448.A N PHE 445.A O no hydrogen 3.126 N/A ALA 449.A N PHE 445.A O no hydrogen 2.883 N/A PHE 450.A N PHE 446.A O no hydrogen 2.588 N/A SER 454.A N PHE 450.A O no hydrogen 3.354 N/A SER 454.A N PRO 451.A O no hydrogen 3.237 N/A SER 454.A OG PRO 451.A O no hydrogen 2.639 N/A ARG 455.A NH1 LEU 216.A O no hydrogen 3.370 N/A ARG 455.A NH1 ASP 469.A OD2 no hydrogen 2.796 N/A ARG 455.A NH2 LEU 216.A O no hydrogen 3.034 N/A THR 456.A OG1 VAL 461.A O no hydrogen 3.471 N/A GLY 458.A N ASN 185.A O no hydrogen 3.006 N/A LYS 459.A N GLY 161.A O no hydrogen 2.695 N/A PHE 460.A N TYR 457.A O no hydrogen 3.017 N/A VAL 461.A N LYS 459.A O no hydrogen 2.736 N/A ARG 463.A N PHE 460.A O no hydrogen 3.125 N/A ARG 463.A NH1 LEU 4.A O no hydrogen 2.845 N/A ARG 464.A NE ARG 463.A O no hydrogen 3.218 N/A ILE 465.A N ARG 455.A O no hydrogen 2.757 N/A THR 466.A N GLU 468.A OE2 no hydrogen 2.833 N/A THR 466.A OG1 GLU 468.A OE2 no hydrogen 3.306 N/A VAL 467.A N GLU 468.A OE2 no hydrogen 3.272 N/A GLU 470.A N VAL 467.A O no hydrogen 3.248 N/A ASP 472.A N GLU 222.A OE1 no hydrogen 2.753 N/A GLY 473.A N GLU 222.A OE2 no hydrogen 2.923 N/A SER 475.A OG ASP 477.A OD2 no hydrogen 2.882 N/A THR 478.A N SER 475.A O no hydrogen 3.024 N/A THR 478.A OG1 SER 475.A O no hydrogen 2.680 N/A LEU 479.A N LYS 476.A O no hydrogen 2.981 N/A ASN 480.A N ASN 244.A OD1 no hydrogen 2.869 N/A VAL 482.A N VAL 551.A O no hydrogen 2.876 N/A LYS 483.A NZ GLU 577.A OE1 no hydrogen 3.201 N/A LEU 484.A N TYR 549.A O no hydrogen 2.620 N/A ALA 485.A N LYS 580.A O no hydrogen 2.705 N/A VAL 486.A N GLU 547.A O no hydrogen 2.770 N/A HIS 490.A NE2 GLN 499.A OE1 no hydrogen 2.361 N/A LEU 491.A N GLY 488.A O no hydrogen 2.992 N/A LYS 492.A N GLU 547.A OE1 no hydrogen 2.767 N/A LEU 494.A N LEU 491.A O no hydrogen 2.931 N/A LEU 496.A N ALA 489.A O no hydrogen 2.736 N/A HIS 497.A N LEU 494.A O no hydrogen 3.456 N/A HIS 497.A NE2 TYR 549.A OH no hydrogen 2.893 N/A GLN 499.A N LEU 496.A O no hydrogen 3.166 N/A LEU 500.A N HIS 497.A O no hydrogen 2.845 N/A LYS 502.A N TRP 498.A O no hydrogen 2.754 N/A CYS 503.A N GLN 499.A O no hydrogen 3.351 N/A CYS 503.A SG GLN 499.A O no hydrogen 3.476 N/A ASN 504.A N GLN 501.A O no hydrogen 2.806 N/A ASN 504.A ND2 ASN 244.A O no hydrogen 3.027 N/A ALA 505.A N LEU 500.A O no hydrogen 2.930 N/A THR 506.A N SER 550.A O no hydrogen 2.935 N/A TYR 507.A OH SER 510.A OG no hydrogen 2.702 N/A LEU 508.A N VAL 548.A O no hydrogen 2.773 N/A SER 509.A N VAL 548.A O no hydrogen 3.395 N/A SER 510.A OG TYR 507.A OH no hydrogen 2.702 N/A THR 513.A N ILE 544.A O no hydrogen 2.811 N/A THR 513.A OG1 SER 514.A O no hydrogen 2.849 N/A THR 513.A OG1 ILE 544.A O no hydrogen 3.464 N/A SER 514.A N GLU 572.A O no hydrogen 2.941 N/A ASN 516.A ND2 SER 514.A OG no hydrogen 3.104 N/A TYR 517.A N SER 542.A O no hydrogen 3.149 N/A LYS 518.A N ARG 534.A O no hydrogen 3.014 N/A LEU 519.A N THR 598.A OG1 no hydrogen 3.061 N/A TYR 520.A N GLY 532.A O no hydrogen 3.119 N/A ALA 521.A N VAL 595.A O no hydrogen 2.961 N/A LEU 522.A N LYS 530.A O no hydrogen 2.915 N/A GLY 532.A N TYR 520.A O no hydrogen 3.293 N/A ARG 534.A N LYS 518.A O no hydrogen 2.995 N/A VAL 536.A N ASN 516.A O no hydrogen 2.968 N/A GLY 539.A N ASP 538.A OD1 no hydrogen 3.053 N/A THR 540.A N ASP 538.A OD1 no hydrogen 3.029 N/A THR 540.A OG1 ASP 538.A OD1 no hydrogen 2.381 N/A GLY 541.A N GLY 539.A O no hydrogen 3.080 N/A SER 542.A N TYR 517.A O no hydrogen 2.839 N/A ILE 544.A N THR 513.A OG1 no hydrogen 2.657 N/A GLN 545.A N GLY 601.A O no hydrogen 2.691 N/A GLN 545.A NE2 SER 510.A O no hydrogen 3.180 N/A GLN 545.A NE2 LEU 546.A O no hydrogen 3.479 N/A LEU 546.A N PRO 511.A O no hydrogen 2.981 N/A GLU 547.A N VAL 486.A O no hydrogen 3.121 N/A VAL 548.A N SER 509.A O no hydrogen 2.868 N/A TYR 549.A N LEU 484.A O no hydrogen 2.770 N/A TYR 549.A OH HIS 497.A NE2 no hydrogen 2.893 N/A SER 550.A N THR 506.A O no hydrogen 2.868 N/A VAL 551.A N VAL 482.A O no hydrogen 2.908 N/A TYR 553.A N ASN 480.A O no hydrogen 3.343 N/A ARG 555.A N PRO 552.A O no hydrogen 3.056 N/A ARG 555.A NH1 ASP 558.A OD2 no hydrogen 2.798 N/A PHE 556.A N TYR 553.A O no hydrogen 3.472 N/A PHE 559.A N ARG 555.A O no hydrogen 3.130 N/A ILE 560.A N PHE 556.A O no hydrogen 2.833 N/A ALA 561.A N GLY 557.A O no hydrogen 3.178 N/A LEU 566.A N PRO 563.A O no hydrogen 3.134 N/A GLY 567.A N ILE 583.A O no hydrogen 3.208 N/A GLY 569.A N SER 581.A O no hydrogen 2.823 N/A VAL 571.A N VAL 579.A O no hydrogen 2.857 N/A GLU 572.A N TYR 517.A OH no hydrogen 2.909 N/A LEU 573.A N GLU 577.A O no hydrogen 3.004 N/A GLU 574.A N LYS 512.A O no hydrogen 2.627 N/A GLY 576.A N LEU 573.A O no hydrogen 2.906 N/A VAL 579.A N VAL 571.A O no hydrogen 3.115 N/A SER 581.A N GLY 569.A O no hydrogen 2.674 N/A SER 581.A OG ALA 485.A O no hydrogen 3.537 N/A SER 581.A OG PHE 582.A O no hydrogen 2.818 N/A PHE 582.A N ALA 485.A O no hydrogen 3.274 N/A ILE 583.A N GLY 567.A O no hydrogen 2.894 N/A CYS 584.A SG PRO 565.A O no hydrogen 3.892 N/A CYS 584.A SG GLU 585.A O no hydrogen 3.184 N/A GLU 585.A N PRO 565.A O no hydrogen 3.090 N/A GLY 588.A N GLU 585.A O no hydrogen 2.761 N/A THR 594.A N GLN 591.A O no hydrogen 3.293 N/A THR 594.A OG1 GLN 591.A O no hydrogen 2.619 N/A VAL 595.A N ALA 521.A O no hydrogen 3.132 N/A ILE 597.A N LEU 519.A O no hydrogen 2.682 N/A THR 598.A N ASP 596.A OD1 no hydrogen 3.080 N/A THR 598.A OG1 ASP 596.A OD1 no hydrogen 2.718 N/A PHE 600.A N ILE 597.A O no hydrogen 2.923 N/A GLY 601.A N THR 598.A O no hydrogen 2.802 N/A ILE 607.A N PHE 603.A O no hydrogen 3.168 N/A ILE 607.A N LYS 604.A O no hydrogen 2.650 N/A GLU 608.A N PRO 605.A O no hydrogen 3.375 N/A HIS 609.A N PRO 605.A O no hydrogen 3.305 N/A