Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2is1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH LEU 76.A O no hydrogen 2.812 N/A LEU 5.A N ASP 1.A O no hydrogen 3.384 N/A LEU 6.A N SER 3.A O no hydrogen 3.313 N/A ASP 7.A N SER 3.A O no hydrogen 3.134 N/A LEU 9.A N LEU 6.A O no hydrogen 3.140 N/A ASN 10.A N GLN 13.A OE1 no hydrogen 3.066 N/A ASN 10.A ND2 TYR 282.A OH no hydrogen 2.714 N/A LYS 12.A N ASP 11.A OD1 no hydrogen 2.542 N/A GLN 13.A N ASN 10.A OD1 no hydrogen 2.765 N/A GLN 13.A NE2 SER 32.A O no hydrogen 2.949 N/A ARG 14.A N ASN 10.A O no hydrogen 2.887 N/A ARG 14.A NE LEU 6.A O no hydrogen 3.182 N/A GLU 15.A N ASP 11.A O no hydrogen 3.323 N/A VAL 17.A N GLN 13.A O no hydrogen 2.736 N/A ALA 18.A N ARG 14.A O no hydrogen 2.679 N/A ARG 21.A NH2 ASN 215.A OD1 no hydrogen 3.084 N/A SER 22.A OG PRO 20.A O no hydrogen 3.083 N/A LEU 24.A N VAL 242.A O no hydrogen 3.192 N/A LEU 25.A N GLU 274.A O no hydrogen 3.091 N/A VAL 26.A N ILE 244.A O no hydrogen 2.912 N/A LEU 27.A N ILE 276.A O no hydrogen 2.955 N/A ALA 28.A N GLY 246.A O no hydrogen 2.975 N/A GLY 29.A N LEU 278.A O no hydrogen 2.762 N/A SER 32.A OG GLY 29.A O no hydrogen 2.518 N/A LYS 34.A NZ ASP 219.A OD1 no hydrogen 3.121 N/A LYS 34.A NZ ASP 219.A OD2 no hydrogen 2.472 N/A VAL 37.A N GLY 33.A O no hydrogen 3.187 N/A LEU 38.A N LYS 34.A O no hydrogen 2.903 N/A VAL 39.A N THR 35.A O no hydrogen 2.779 N/A HIS 40.A N ARG 36.A O no hydrogen 2.942 N/A ARG 41.A N VAL 37.A O no hydrogen 2.688 N/A ARG 41.A NH1 VAL 17.A O no hydrogen 3.240 N/A ARG 41.A NH1 ALA 19.A O no hydrogen 2.815 N/A ILE 42.A N LEU 38.A O no hydrogen 3.111 N/A ALA 43.A N VAL 39.A O no hydrogen 3.120 N/A TRP 44.A N HIS 40.A O no hydrogen 2.954 N/A LEU 45.A N ARG 41.A O no hydrogen 2.879 N/A MET 46.A N ILE 42.A O no hydrogen 3.129 N/A SER 47.A N ALA 43.A O no hydrogen 2.894 N/A SER 47.A OG ALA 43.A O no hydrogen 3.069 N/A VAL 48.A N TRP 44.A O no hydrogen 2.757 N/A GLU 49.A N TRP 44.A O no hydrogen 3.333 N/A CYS 51.A N LEU 45.A O no hydrogen 2.792 N/A CYS 51.A SG GLU 49.A O no hydrogen 3.936 N/A SER 55.A N SER 52.A O no hydrogen 2.539 N/A SER 55.A OG SER 52.A O no hydrogen 2.603 N/A ILE 56.A N PRO 53.A O no hydrogen 3.130 N/A MET 57.A N ASN 215.A O no hydrogen 2.915 N/A ALA 58.A N TRP 85.A O no hydrogen 2.979 N/A VAL 59.A N LEU 217.A O no hydrogen 2.820 N/A THR 60.A N GLY 87.A O no hydrogen 2.792 N/A THR 60.A OG1 THR 62.A O no hydrogen 3.337 N/A THR 60.A OG1 GLY 87.A O no hydrogen 3.369 N/A ASN 63.A ND2 LEU 536.A O no hydrogen 2.993 N/A ALA 65.A N THR 62.A OG1 no hydrogen 3.060 N/A ALA 66.A N THR 62.A O no hydrogen 3.098 N/A ALA 67.A N ASN 63.A O no hydrogen 2.714 N/A GLU 68.A N LYS 64.A O no hydrogen 2.769 N/A MET 69.A N ALA 65.A O no hydrogen 2.806 N/A ARG 70.A N ALA 66.A O no hydrogen 2.884 N/A HIS 71.A N ALA 67.A O no hydrogen 2.656 N/A ARG 72.A N GLU 68.A O no hydrogen 2.881 N/A ARG 72.A NH2 GLU 68.A OE2 no hydrogen 3.489 N/A ILE 73.A N MET 69.A O no hydrogen 2.990 N/A GLY 74.A N HIS 71.A O no hydrogen 2.977 N/A GLN 75.A N HIS 71.A O no hydrogen 3.439 N/A LEU 76.A N ARG 72.A O no hydrogen 3.246 N/A MET 77.A N ILE 73.A O no hydrogen 3.096 N/A TRP 85.A N ILE 56.A O no hydrogen 3.130 N/A GLY 87.A N ALA 58.A O no hydrogen 3.097 N/A GLY 91.A N THR 88.A OG1 no hydrogen 3.033 N/A LEU 92.A N THR 88.A O no hydrogen 2.654 N/A ALA 93.A N PHE 89.A O no hydrogen 2.676 N/A HIS 94.A N HIS 90.A O no hydrogen 2.676 N/A ARG 95.A N GLY 91.A O no hydrogen 2.979 N/A LEU 96.A N LEU 92.A O no hydrogen 3.081 N/A LEU 97.A N ALA 93.A O no hydrogen 3.097 N/A ARG 98.A N HIS 94.A O no hydrogen 3.183 N/A ARG 98.A N ARG 95.A O no hydrogen 3.171 N/A ARG 98.A NE HIS 94.A NE2 no hydrogen 2.624 N/A ARG 98.A NH1 GLN 108.A O no hydrogen 3.502 N/A ARG 98.A NH1 PHE 110.A O no hydrogen 2.970 N/A ARG 98.A NH2 HIS 94.A NE2 no hydrogen 3.271 N/A ARG 98.A NH2 PHE 110.A O no hydrogen 2.921 N/A ALA 99.A N ARG 95.A O no hydrogen 3.156 N/A HIS 100.A N LEU 96.A O no hydrogen 2.918 N/A HIS 100.A NE2 TYR 209.A OH no hydrogen 2.817 N/A ALA 104.A N HIS 101.A O no hydrogen 3.104 N/A ASN 105.A N MET 102.A O no hydrogen 3.226 N/A LEU 106.A N HIS 101.A O no hydrogen 2.835 N/A PHE 110.A N PRO 107.A O no hydrogen 3.043 N/A GLN 111.A N GLY 184.A O no hydrogen 2.879 N/A GLN 111.A NE2 ILE 112.A O no hydrogen 2.471 N/A LEU 113.A N VAL 186.A O no hydrogen 2.702 N/A ASP 117.A N ASP 114.A OD2 no hydrogen 2.864 N/A GLN 118.A N ASP 114.A O no hydrogen 2.986 N/A GLN 118.A NE2 ASN 146.A OD1 no hydrogen 3.390 N/A LEU 119.A N SER 115.A O no hydrogen 2.687 N/A ARG 120.A N GLU 116.A O no hydrogen 2.864 N/A LEU 121.A N ASP 117.A O no hydrogen 3.092 N/A LEU 122.A N GLN 118.A O no hydrogen 3.134 N/A LYS 123.A N LEU 119.A O no hydrogen 3.178 N/A ARG 124.A N ARG 120.A O no hydrogen 3.036 N/A LEU 125.A N LEU 121.A O no hydrogen 3.035 N/A ILE 126.A N LEU 122.A O no hydrogen 2.705 N/A LYS 127.A N LYS 123.A O no hydrogen 3.168 N/A ALA 128.A N ARG 124.A O no hydrogen 2.975 N/A MET 129.A N ILE 126.A O no hydrogen 3.375 N/A ASN 130.A N LYS 127.A O no hydrogen 2.693 N/A LEU 131.A N ILE 126.A O no hydrogen 3.007 N/A GLN 135.A N ASP 132.A O no hydrogen 2.792 N/A ALA 141.A N PRO 137.A O no hydrogen 2.823 N/A MET 142.A N PRO 138.A O no hydrogen 2.761 N/A TRP 143.A N ARG 139.A O no hydrogen 3.185 N/A TYR 144.A N GLN 140.A O no hydrogen 3.046 N/A ILE 145.A N ALA 141.A O no hydrogen 2.882 N/A ASN 146.A N MET 142.A O no hydrogen 2.829 N/A ASN 146.A ND2 GLN 118.A OE1 no hydrogen 3.616 N/A SER 147.A N TRP 143.A O no hydrogen 2.953 N/A SER 147.A OG TRP 143.A O no hydrogen 2.587 N/A GLN 148.A N TYR 144.A O no hydrogen 2.945 N/A GLN 148.A NE2 TYR 144.A O no hydrogen 3.424 N/A LYS 149.A N ILE 145.A O no hydrogen 3.179 N/A LYS 149.A NZ ASP 187.A OD1 no hydrogen 3.243 N/A LYS 149.A NZ ASP 187.A OD2 no hydrogen 2.930 N/A LYS 149.A NZ GLU 190.A OE1 no hydrogen 2.823 N/A ASP 150.A N ASN 146.A O no hydrogen 2.949 N/A GLU 151.A N GLN 148.A O no hydrogen 3.111 N/A GLY 152.A N LYS 149.A O no hydrogen 2.799 N/A LEU 153.A N GLN 148.A O no hydrogen 3.092 N/A ARG 154.A NE GLU 197.A OE2 no hydrogen 3.194 N/A ARG 154.A NH1 GLU 190.A OE1 no hydrogen 2.842 N/A ARG 154.A NH1 GLU 190.A OE2 no hydrogen 3.119 N/A ARG 154.A NH2 GLU 190.A OE2 no hydrogen 2.859 N/A ARG 154.A NH2 GLU 197.A OE1 no hydrogen 3.391 N/A HIS 157.A N ARG 154.A O no hydrogen 3.036 N/A TYR 161.A OH GLN 159.A OE1 no hydrogen 2.772 N/A GLU 166.A N ASN 163.A O no hydrogen 2.833 N/A GLN 167.A N ASN 163.A O no hydrogen 2.937 N/A THR 168.A N PRO 164.A O no hydrogen 2.497 N/A THR 168.A OG1 PRO 164.A O no hydrogen 2.411 N/A GLN 170.A N GLU 166.A O no hydrogen 2.962 N/A LYS 171.A N GLN 167.A O no hydrogen 3.397 N/A VAL 172.A N THR 168.A O no hydrogen 3.039 N/A TYR 173.A N TRP 169.A O no hydrogen 2.833 N/A TYR 173.A OH LEU 153.A O no hydrogen 2.607 N/A GLN 174.A N GLN 170.A O no hydrogen 2.824 N/A ALA 175.A N LYS 171.A O no hydrogen 3.035 N/A TYR 176.A N VAL 172.A O no hydrogen 2.725 N/A TYR 176.A OH ASP 187.A OD2 no hydrogen 2.793 N/A GLN 177.A N TYR 173.A O no hydrogen 3.053 N/A GLU 178.A N GLN 174.A O no hydrogen 3.020 N/A ALA 179.A N ALA 175.A O no hydrogen 2.855 N/A CYS 180.A N TYR 176.A O no hydrogen 2.780 N/A CYS 180.A SG TYR 176.A O no hydrogen 3.466 N/A ASP 181.A N GLN 177.A O no hydrogen 2.672 N/A ARG 182.A N GLU 178.A O no hydrogen 3.116 N/A ARG 182.A N ALA 179.A O no hydrogen 2.773 N/A ALA 183.A N ALA 179.A O no hydrogen 3.056 N/A ALA 183.A N CYS 180.A O no hydrogen 3.122 N/A LEU 185.A N CYS 180.A O no hydrogen 2.871 N/A VAL 186.A N GLN 111.A O no hydrogen 2.941 N/A GLU 190.A N ASP 187.A OD1 no hydrogen 2.666 N/A LEU 191.A N ASP 187.A O no hydrogen 3.069 N/A LEU 192.A N ALA 189.A O no hydrogen 3.150 N/A LEU 193.A N ALA 189.A O no hydrogen 3.310 N/A ARG 194.A N GLU 190.A O no hydrogen 2.758 N/A ARG 194.A NE ALA 104.A O no hydrogen 3.005 N/A ARG 194.A NH1 ASP 181.A OD1 no hydrogen 3.305 N/A ARG 194.A NH1 GLU 190.A OE2 no hydrogen 2.558 N/A ARG 194.A NH2 ASN 105.A O no hydrogen 3.356 N/A ARG 194.A NH2 ASP 181.A OD1 no hydrogen 3.328 N/A ALA 195.A N LEU 191.A O no hydrogen 3.418 N/A HIS 196.A N LEU 192.A O no hydrogen 2.782 N/A GLU 197.A N LEU 193.A O no hydrogen 2.722 N/A LEU 198.A N ARG 194.A O no hydrogen 2.790 N/A TRP 199.A N ALA 195.A O no hydrogen 3.122 N/A LEU 200.A N HIS 196.A O no hydrogen 3.127 N/A ASN 201.A N GLU 197.A O no hydrogen 2.950 N/A LYS 202.A N LEU 198.A O no hydrogen 3.077 N/A LYS 202.A NZ ASP 103.A OD1 no hydrogen 2.810 N/A LEU 206.A N LYS 202.A O no hydrogen 2.944 N/A GLN 207.A N PRO 203.A O no hydrogen 2.707 N/A HIS 208.A N HIS 204.A O no hydrogen 2.646 N/A TYR 209.A N ILE 205.A O no hydrogen 3.040 N/A TYR 209.A N LEU 206.A O no hydrogen 3.075 N/A TYR 209.A OH HIS 100.A NE2 no hydrogen 2.817 N/A ARG 210.A N LEU 206.A O no hydrogen 3.023 N/A ARG 210.A NE LEU 234.A O no hydrogen 2.866 N/A ARG 210.A NH2 LEU 234.A O no hydrogen 3.010 N/A GLU 211.A N GLN 207.A O no hydrogen 3.086 N/A ARG 212.A N HIS 208.A O no hydrogen 3.180 N/A ARG 212.A NE TYR 54.A O no hydrogen 2.937 N/A ARG 212.A NH2 GLY 83.A O no hydrogen 2.770 N/A PHE 213.A N TYR 209.A O no hydrogen 2.764 N/A THR 214.A N ARG 212.A O no hydrogen 3.149 N/A ASN 215.A N SER 55.A O no hydrogen 2.984 N/A ASN 215.A ND2 SER 55.A OG no hydrogen 3.185 N/A ILE 216.A N LYS 241.A O no hydrogen 3.219 N/A LEU 217.A N MET 57.A O no hydrogen 3.079 N/A VAL 218.A N MET 243.A O no hydrogen 2.930 N/A ASP 219.A N VAL 59.A O no hydrogen 3.021 N/A PHE 221.A N VAL 245.A O no hydrogen 3.155 N/A GLN 222.A NE2 GLU 220.A OE1 no hydrogen 3.238 N/A GLN 222.A NE2 ASP 223.A OD2 no hydrogen 3.536 N/A ASP 223.A N GLU 220.A O no hydrogen 2.728 N/A THR 224.A N PHE 221.A O no hydrogen 3.224 N/A THR 224.A OG1 PHE 221.A O no hydrogen 2.949 N/A ASN 225.A N GLN 228.A OE1 no hydrogen 2.761 N/A GLN 228.A N ASN 225.A OD1 no hydrogen 2.766 N/A TYR 229.A N ASN 225.A O no hydrogen 3.101 N/A TYR 229.A OH ASP 269.A OD2 no hydrogen 2.848 N/A ALA 230.A N ASN 226.A O no hydrogen 3.054 N/A TRP 231.A N ILE 227.A O no hydrogen 2.742 N/A ILE 232.A N GLN 228.A O no hydrogen 2.969 N/A ARG 233.A N TYR 229.A O no hydrogen 2.964 N/A ARG 233.A NH1 ARG 233.A O no hydrogen 3.070 N/A ARG 233.A NH1 GLY 237.A O no hydrogen 3.032 N/A LEU 234.A N ALA 230.A O no hydrogen 2.855 N/A LEU 235.A N TRP 231.A O no hydrogen 3.132 N/A ALA 236.A N ILE 232.A O no hydrogen 2.720 N/A GLY 237.A N ARG 233.A O no hydrogen 2.884 N/A LYS 241.A N THR 214.A O no hydrogen 2.766 N/A LYS 241.A NZ THR 239.A O no hydrogen 2.989 N/A VAL 242.A N ASN 23.A OD1 no hydrogen 2.958 N/A MET 243.A N ILE 216.A O no hydrogen 2.730 N/A ILE 244.A N LEU 24.A O no hydrogen 3.037 N/A VAL 245.A N VAL 218.A O no hydrogen 2.809 N/A GLY 246.A N VAL 26.A O no hydrogen 3.126 N/A ASP 247.A N GLN 222.A OE1 no hydrogen 2.631 N/A ASP 249.A N ASP 247.A OD1 no hydrogen 2.865 N/A GLN 250.A N ASP 247.A O no hydrogen 3.113 N/A GLN 250.A NE2 ASP 247.A OD2 no hydrogen 2.919 N/A SER 251.A OG GLN 222.A O no hydrogen 3.027 N/A GLY 254.A N GLU 590.A OE1 no hydrogen 2.633 N/A TRP 255.A NE1 ILE 252.A O no hydrogen 3.031 N/A ARG 256.A N TYR 253.A O no hydrogen 3.264 N/A GLY 257.A N GLY 254.A O no hydrogen 3.174 N/A ALA 258.A N TYR 253.A O no hydrogen 3.220 N/A GLN 259.A N THR 224.A O no hydrogen 2.903 N/A GLN 259.A NE2 GLY 257.A O no hydrogen 2.698 N/A ASN 262.A ND2 THR 224.A O no hydrogen 3.162 N/A ASN 262.A ND2 THR 224.A OG1 no hydrogen 2.694 N/A ASN 262.A ND2 ASN 225.A O no hydrogen 3.364 N/A GLN 264.A N GLU 261.A O no hydrogen 2.501 N/A GLN 264.A NE2 GLN 264.A O no hydrogen 3.224 N/A GLN 264.A NE2 ASN 268.A OD1 no hydrogen 3.283 N/A ARG 265.A N GLU 261.A O no hydrogen 3.434 N/A ARG 265.A NH1 ASN 262.A OD1 no hydrogen 3.102 N/A PHE 266.A N ASN 262.A O no hydrogen 2.915 N/A ASN 268.A N GLN 264.A O no hydrogen 2.846 N/A ASP 269.A N ARG 265.A O no hydrogen 2.780 N/A PHE 270.A N LEU 267.A O no hydrogen 3.288 N/A ALA 273.A N PHE 270.A O no hydrogen 3.307 N/A ILE 276.A N LEU 25.A O no hydrogen 3.031 N/A ARG 277.A NE GLY 304.A O no hydrogen 2.919 N/A ARG 277.A NH2 LEU 303.A O no hydrogen 2.831 N/A ARG 277.A NH2 GLY 304.A O no hydrogen 3.508 N/A LEU 278.A N LEU 27.A O no hydrogen 2.986 N/A ASN 281.A N TRP 308.A O no hydrogen 2.977 N/A TYR 282.A N GLY 31.A O no hydrogen 2.718 N/A ARG 283.A N ASN 281.A OD1 no hydrogen 2.519 N/A ARG 283.A NE THR 600.A O no hydrogen 2.880 N/A ARG 283.A NH1 GLU 562.A OE1 no hydrogen 2.592 N/A SER 284.A N ASN 281.A OD1 no hydrogen 2.764 N/A SER 284.A OG ASN 281.A OD1 no hydrogen 3.506 N/A SER 284.A OG ALA 602.A O no hydrogen 3.170 N/A THR 285.A OG1 ASP 313.A O no hydrogen 2.825 N/A SER 286.A N ALA 312.A O no hydrogen 3.085 N/A SER 286.A OG ASP 313.A OD1 no hydrogen 3.495 N/A ASN 287.A N ASP 313.A O no hydrogen 2.956 N/A ASN 287.A ND2 GLU 315.A O no hydrogen 2.980 N/A LEU 289.A N THR 285.A O no hydrogen 3.206 N/A SER 290.A N SER 286.A O no hydrogen 2.947 N/A ALA 291.A N ASN 287.A O no hydrogen 2.894 N/A ALA 292.A N ILE 288.A O no hydrogen 2.729 N/A ASN 293.A N LEU 289.A O no hydrogen 2.671 N/A ASN 293.A ND2 LEU 307.A O no hydrogen 2.705 N/A ALA 294.A N SER 290.A O no hydrogen 2.765 N/A LEU 295.A N ALA 291.A O no hydrogen 2.911 N/A ILE 296.A N ALA 292.A O no hydrogen 3.279 N/A GLU 297.A N ASN 293.A O no hydrogen 3.341 N/A GLU 297.A N ALA 294.A O no hydrogen 3.063 N/A ASN 298.A N LEU 295.A O no hydrogen 3.055 N/A ASN 298.A ND2 LEU 295.A O no hydrogen 2.869 N/A ASN 299.A N ILE 296.A O no hydrogen 3.212 N/A ASN 299.A ND2 GLU 589.A O no hydrogen 2.749 N/A ASN 300.A N GLU 589.A OE2 no hydrogen 2.590 N/A ARG 302.A NE ASP 249.A OD1 no hydrogen 3.273 N/A ARG 302.A NE ASP 249.A OD2 no hydrogen 3.342 N/A ARG 302.A NH1 ASP 249.A OD2 no hydrogen 3.515 N/A ARG 302.A NH1 LYS 305.A O no hydrogen 3.246 N/A LEU 303.A N ASP 248.A OD2 no hydrogen 2.839 N/A LYS 305.A NZ ASP 247.A OD1 no hydrogen 2.638 N/A LYS 305.A NZ ASP 247.A OD2 no hydrogen 2.656 N/A LYS 306.A N GLU 279.A OE1 no hydrogen 2.420 N/A LEU 307.A N ASN 293.A OD1 no hydrogen 2.783 N/A TRP 308.A N GLU 279.A O no hydrogen 3.100 N/A THR 309.A OG1 ASN 281.A O no hydrogen 3.507 N/A GLY 311.A N THR 309.A OG1 no hydrogen 3.042 N/A ILE 317.A N CYS 636.A O no hydrogen 2.472 N/A SER 318.A N LEU 606.A O no hydrogen 3.104 N/A SER 318.A OG GLU 638.A OE2 no hydrogen 2.542 N/A LEU 319.A N GLU 638.A O no hydrogen 2.901 N/A TYR 320.A OH ASP 327.A OD2 no hydrogen 2.629 N/A ALA 322.A N TYR 610.A O no hydrogen 2.873 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.863 N/A GLU 325.A N THR 613.A O no hydrogen 3.186 N/A ASP 327.A N ASN 324.A O no hydrogen 2.825 N/A GLU 328.A N ASN 324.A O no hydrogen 3.230 N/A ALA 329.A N GLU 325.A O no hydrogen 3.390 N/A ARG 330.A N LEU 326.A O no hydrogen 3.475 N/A ARG 330.A NE ASN 334.A OD1 no hydrogen 3.490 N/A PHE 331.A N ASP 327.A O no hydrogen 2.858 N/A VAL 332.A N GLU 328.A O no hydrogen 3.162 N/A VAL 333.A N ALA 329.A O no hydrogen 2.913 N/A ASN 334.A N ARG 330.A O no hydrogen 2.910 N/A ARG 335.A N PHE 331.A O no hydrogen 3.072 N/A ILE 336.A N VAL 332.A O no hydrogen 3.092 N/A LYS 337.A N VAL 333.A O no hydrogen 2.778 N/A THR 338.A N ASN 334.A O no hydrogen 3.101 N/A THR 338.A OG1 ASN 334.A O no hydrogen 3.216 N/A TRP 339.A N ARG 335.A O no hydrogen 3.003 N/A TRP 339.A NE1 ALA 345.A O no hydrogen 2.554 N/A GLN 340.A N ILE 336.A O no hydrogen 2.819 N/A ASP 341.A N LYS 337.A O no hydrogen 2.686 N/A ASN 342.A N TRP 339.A O no hydrogen 3.241 N/A GLY 343.A N GLN 340.A O no hydrogen 2.858 N/A GLY 344.A N TRP 339.A O no hydrogen 2.706 N/A LEU 346.A N ASP 548.A OD1 no hydrogen 3.175 N/A LEU 346.A N ASP 548.A OD2 no hydrogen 2.536 N/A ALA 347.A N ASP 548.A OD1 no hydrogen 3.141 N/A CYS 349.A N LEU 346.A O no hydrogen 3.047 N/A CYS 349.A SG ALA 345.A O no hydrogen 3.840 N/A ALA 350.A N GLN 565.A O no hydrogen 3.025 N/A ILE 351.A N GLN 551.A O no hydrogen 2.824 N/A LEU 352.A N PHE 567.A O no hydrogen 2.482 N/A TYR 353.A N MET 553.A O no hydrogen 3.295 N/A ARG 354.A NE GLU 591.A OE1 no hydrogen 2.726 N/A ARG 354.A NH1 ARG 354.A O no hydrogen 3.024 N/A ARG 354.A NH2 GLU 591.A OE1 no hydrogen 3.523 N/A ARG 354.A NH2 GLU 591.A OE2 no hydrogen 2.699 N/A SER 355.A N GLN 358.A OE1 no hydrogen 2.895 N/A GLN 358.A N SER 355.A O no hydrogen 2.950 N/A GLN 358.A NE2 VAL 569.A O no hydrogen 3.608 N/A SER 359.A N ASN 356.A O no hydrogen 3.051 N/A SER 359.A OG ASN 356.A O no hydrogen 2.743 N/A GLU 363.A N SER 359.A O no hydrogen 3.048 N/A GLU 364.A N ARG 360.A O no hydrogen 3.401 N/A ALA 365.A N VAL 361.A O no hydrogen 3.404 N/A LEU 366.A N LEU 362.A O no hydrogen 2.905 N/A LEU 367.A N GLU 363.A O no hydrogen 2.517 N/A GLN 368.A N GLU 364.A O no hydrogen 2.523 N/A ALA 369.A N ALA 365.A O no hydrogen 3.276 N/A SER 370.A N LEU 367.A O no hydrogen 2.581 N/A MET 371.A N LEU 366.A O no hydrogen 2.927 N/A TYR 373.A OH GLU 363.A OE1 no hydrogen 2.588 N/A ARG 374.A N VAL 550.A O no hydrogen 2.868 N/A TYR 376.A N LEU 552.A O no hydrogen 2.963 N/A ARG 380.A N GLU 383.A OE1 no hydrogen 3.268 N/A PHE 382.A N ALA 538.A O no hydrogen 3.118 N/A GLU 383.A N ARG 380.A O no hydrogen 3.289 N/A ARG 384.A N PHE 381.A O no hydrogen 3.298 N/A GLU 386.A N GLU 386.A OE1 no hydrogen 2.621 N/A ILE 387.A N ARG 384.A O no hydrogen 3.159 N/A LYS 388.A N ARG 384.A O no hydrogen 3.155 N/A LYS 388.A NZ ASP 114.A OD1 no hydrogen 2.768 N/A LYS 388.A NZ ASP 114.A OD2 no hydrogen 3.246 N/A LYS 388.A NZ ASP 117.A OD1 no hydrogen 3.094 N/A LYS 388.A NZ ASP 117.A OD2 no hydrogen 3.402 N/A ASP 389.A N GLN 385.A O no hydrogen 2.982 N/A ALA 390.A N GLU 386.A O no hydrogen 3.367 N/A LEU 391.A N ILE 387.A O no hydrogen 2.844 N/A SER 392.A N LYS 388.A O no hydrogen 2.761 N/A SER 392.A OG LYS 388.A O no hydrogen 2.846 N/A TYR 393.A N ASP 389.A O no hydrogen 3.302 N/A TYR 393.A N ALA 390.A O no hydrogen 3.035 N/A TYR 393.A OH THR 412.A O no hydrogen 2.543 N/A LEU 394.A N ALA 390.A O no hydrogen 3.288 N/A ARG 395.A N LEU 391.A O no hydrogen 2.605 N/A ARG 395.A NE ASP 402.A OD2 no hydrogen 2.926 N/A ARG 395.A NH1 ASP 402.A OD1 no hydrogen 3.099 N/A ARG 395.A NH1 ASP 402.A OD2 no hydrogen 3.221 N/A ARG 395.A NH2 ASP 117.A OD2 no hydrogen 2.683 N/A LEU 396.A N SER 392.A O no hydrogen 3.041 N/A ILE 397.A N TYR 393.A O no hydrogen 3.064 N/A VAL 398.A N LEU 394.A O no hydrogen 3.015 N/A ASN 399.A N ARG 395.A O no hydrogen 3.062 N/A ASN 399.A ND2 ALA 183.A O no hydrogen 3.063 N/A ARG 400.A NE ASP 465.A OD1 no hydrogen 3.176 N/A ARG 400.A NH1 ASP 465.A OD1 no hydrogen 3.110 N/A ARG 400.A NH2 LEU 396.A O no hydrogen 2.980 N/A ASN 401.A N ASN 399.A OD1 no hydrogen 2.570 N/A ASN 401.A ND2 ASN 399.A OD1 no hydrogen 3.487 N/A ASP 402.A N ASN 399.A O no hydrogen 3.136 N/A ASP 403.A N ASN 401.A O no hydrogen 2.890 N/A ALA 405.A N ASP 402.A OD1 no hydrogen 2.921 N/A PHE 406.A N ASP 402.A O no hydrogen 2.865 N/A GLU 407.A N ASP 403.A O no hydrogen 2.761 N/A ARG 408.A N ALA 404.A O no hydrogen 3.255 N/A ARG 408.A NE ASP 389.A OD1 no hydrogen 2.619 N/A ARG 408.A NH1 GLU 116.A OE2 no hydrogen 2.643 N/A ARG 408.A NH2 GLU 116.A OE2 no hydrogen 3.379 N/A VAL 409.A N ALA 405.A O no hydrogen 3.195 N/A VAL 410.A N PHE 406.A O no hydrogen 2.857 N/A THR 412.A N VAL 409.A O no hydrogen 3.320 N/A THR 412.A OG1 ARG 408.A O no hydrogen 3.181 N/A ARG 415.A N ASN 411.A OD1 no hydrogen 2.940 N/A ARG 415.A NH1 VAL 409.A O no hydrogen 2.702 N/A ARG 415.A NH1 VAL 410.A O no hydrogen 2.695 N/A ARG 415.A NH2 TYR 393.A OH no hydrogen 2.541 N/A ILE 417.A N ASN 411.A OD1 no hydrogen 2.846 N/A LEU 422.A N GLY 418.A O no hydrogen 2.903 N/A ASP 423.A N ASP 419.A O no hydrogen 2.675 N/A VAL 424.A N ARG 420.A O no hydrogen 3.369 N/A VAL 424.A N THR 421.A O no hydrogen 3.052 N/A VAL 425.A N THR 421.A O no hydrogen 3.072 N/A ARG 426.A N LEU 422.A O no hydrogen 2.865 N/A ARG 426.A NH2 ASP 423.A OD1 no hydrogen 3.400 N/A GLN 427.A N ASP 423.A O no hydrogen 3.284 N/A GLN 427.A N VAL 424.A O no hydrogen 3.262 N/A GLN 427.A NE2 ASP 431.A OD2 no hydrogen 2.972 N/A THR 428.A N VAL 424.A O no hydrogen 2.942 N/A THR 428.A OG1 VAL 424.A O no hydrogen 2.866 N/A SER 429.A N VAL 425.A O no hydrogen 3.110 N/A SER 429.A OG LEU 434.A O no hydrogen 3.087 N/A ASP 431.A N GLN 427.A O no hydrogen 2.898 N/A ARG 432.A N THR 428.A O no hydrogen 2.863 N/A ARG 432.A NH1 GLU 442.A OE1 no hydrogen 3.025 N/A ARG 432.A NH1 GLU 446.A OE2 no hydrogen 2.643 N/A ARG 432.A NH2 GLU 446.A OE1 no hydrogen 2.793 N/A ARG 432.A NH2 GLU 446.A OE2 no hydrogen 2.981 N/A GLN 433.A N ARG 430.A O no hydrogen 3.120 N/A LEU 434.A N SER 429.A O no hydrogen 2.942 N/A THR 435.A N GLN 438.A OE1 no hydrogen 3.486 N/A THR 435.A OG1 ASN 401.A OD1 no hydrogen 2.640 N/A LEU 436.A N ASP 403.A OD1 no hydrogen 2.930 N/A GLN 438.A N THR 435.A OG1 no hydrogen 3.370 N/A ALA 439.A N THR 435.A O no hydrogen 3.007 N/A CYS 440.A N LEU 436.A O no hydrogen 2.916 N/A CYS 440.A SG LEU 436.A O no hydrogen 3.446 N/A ARG 441.A N TRP 437.A O no hydrogen 3.018 N/A ARG 441.A N GLN 438.A O no hydrogen 2.953 N/A GLU 442.A N GLN 438.A O no hydrogen 3.200 N/A LEU 443.A N ALA 439.A O no hydrogen 3.071 N/A LEU 444.A N CYS 440.A O no hydrogen 3.145 N/A GLN 445.A N ARG 441.A O no hydrogen 3.009 N/A GLU 446.A N GLU 442.A O no hydrogen 2.692 N/A LYS 447.A N LEU 444.A O no hydrogen 2.681 N/A ALA 448.A N LEU 443.A O no hydrogen 3.202 N/A ALA 454.A N ALA 450.A O no hydrogen 2.818 N/A SER 455.A N GLY 451.A O no hydrogen 2.798 N/A ALA 456.A N ARG 452.A O no hydrogen 3.116 N/A ALA 456.A N ALA 453.A O no hydrogen 2.670 N/A LEU 457.A N ALA 453.A O no hydrogen 2.783 N/A GLN 458.A N ALA 454.A O no hydrogen 2.790 N/A ARG 459.A N SER 455.A O no hydrogen 3.129 N/A PHE 460.A N ALA 456.A O no hydrogen 3.024 N/A MET 461.A N LEU 457.A O no hydrogen 3.159 N/A GLU 462.A N GLN 458.A O no hydrogen 2.910 N/A LEU 463.A N ARG 459.A O no hydrogen 3.002 N/A ILE 464.A N PHE 460.A O no hydrogen 3.098 N/A ASP 465.A N MET 461.A O no hydrogen 3.060 N/A ALA 466.A N GLU 462.A O no hydrogen 2.706 N/A LEU 467.A N LEU 463.A O no hydrogen 2.888 N/A ALA 468.A N ILE 464.A O no hydrogen 2.803 N/A GLN 469.A N ASP 465.A O no hydrogen 3.280 N/A GLU 470.A N ALA 466.A O no hydrogen 3.039 N/A THR 471.A N LEU 467.A O no hydrogen 3.053 N/A ALA 472.A N GLN 469.A O no hydrogen 2.659 N/A VAL 478.A N PRO 475.A O no hydrogen 2.768 N/A GLN 479.A N PRO 475.A O no hydrogen 2.978 N/A THR 480.A N LEU 476.A O no hydrogen 2.958 N/A THR 480.A OG1 LEU 476.A O no hydrogen 2.630 N/A ARG 482.A N VAL 478.A O no hydrogen 2.846 N/A VAL 483.A N GLN 479.A O no hydrogen 2.988 N/A ILE 484.A N THR 480.A O no hydrogen 2.859 N/A LYS 485.A N ASP 481.A O no hydrogen 3.316 N/A LYS 485.A N ARG 482.A O no hydrogen 3.247 N/A LYS 485.A NZ ASP 481.A OD2 no hydrogen 3.087 N/A ASP 486.A N ARG 482.A O no hydrogen 2.862 N/A SER 487.A N VAL 483.A O no hydrogen 2.893 N/A SER 487.A OG VAL 483.A O no hydrogen 2.873 N/A SER 487.A OG ILE 484.A O no hydrogen 3.228 N/A GLY 488.A N LYS 485.A O no hydrogen 3.005 N/A LEU 489.A N SER 487.A OG no hydrogen 3.071 N/A ARG 490.A N ILE 484.A O no hydrogen 3.183 N/A MET 492.A N GLY 488.A O no hydrogen 3.028 N/A TYR 493.A N LEU 489.A O no hydrogen 2.913 N/A TYR 493.A OH ASP 389.A OD2 no hydrogen 3.004 N/A GLU 494.A N ARG 490.A O no hydrogen 2.608 N/A GLN 495.A N THR 491.A O no hydrogen 3.390 N/A GLY 501.A N LYS 497.A O no hydrogen 3.115 N/A GLN 502.A N GLY 498.A O no hydrogen 3.116 N/A THR 503.A N GLU 499.A O no hydrogen 2.932 N/A ARG 504.A N LYS 500.A O no hydrogen 2.974 N/A ARG 504.A NE GLU 386.A OE1 no hydrogen 2.832 N/A ILE 505.A N GLY 501.A O no hydrogen 3.255 N/A ILE 505.A N GLN 502.A O no hydrogen 2.681 N/A GLU 506.A N GLN 502.A O no hydrogen 3.031 N/A ASN 507.A N THR 503.A O no hydrogen 3.091 N/A ASN 507.A ND2 GLU 386.A OE2 no hydrogen 2.842 N/A LEU 508.A N ARG 504.A O no hydrogen 3.315 N/A GLU 509.A N ILE 505.A O no hydrogen 2.939 N/A GLU 510.A N GLU 506.A O no hydrogen 2.971 N/A LEU 511.A N ASN 507.A O no hydrogen 2.706 N/A VAL 512.A N LEU 508.A O no hydrogen 3.433 N/A THR 513.A N GLU 509.A O no hydrogen 3.287 N/A ALA 514.A N GLU 510.A O no hydrogen 2.788 N/A THR 515.A N LEU 511.A O no hydrogen 3.052 N/A THR 515.A OG1 LEU 511.A O no hydrogen 3.028 N/A ARG 516.A N VAL 512.A O no hydrogen 2.724 N/A GLN 517.A N THR 513.A O no hydrogen 2.777 N/A PHE 518.A N THR 515.A O no hydrogen 3.162 N/A SER 519.A OG GLN 517.A O no hydrogen 3.541 N/A GLN 528.A N GLN 528.A OE1 no hydrogen 2.696 N/A GLN 528.A NE2 ASP 109.A OD2 no hydrogen 2.418 N/A ALA 529.A N MET 525.A O no hydrogen 2.789 N/A PHE 530.A N PRO 526.A O no hydrogen 2.609 N/A LEU 531.A N LEU 527.A O no hydrogen 2.901 N/A SER 532.A N GLN 528.A O no hydrogen 2.915 N/A SER 532.A OG HIS 94.A NE2 no hydrogen 3.323 N/A SER 532.A OG GLN 528.A O no hydrogen 3.267 N/A HIS 533.A N ALA 529.A O no hydrogen 3.232 N/A ALA 534.A N PHE 530.A O no hydrogen 2.971 N/A ALA 535.A N LEU 531.A O no hydrogen 3.101 N/A ALA 535.A N SER 532.A O no hydrogen 3.211 N/A LEU 536.A N SER 532.A O no hydrogen 2.996 N/A LEU 536.A N HIS 533.A O no hydrogen 3.268 N/A GLU 537.A N HIS 533.A O no hydrogen 2.795 N/A VAL 550.A N PRO 372.A O no hydrogen 2.972 N/A GLN 551.A N CYS 349.A O no hydrogen 2.924 N/A GLN 551.A NE2 TYR 376.A OH no hydrogen 2.493 N/A LEU 552.A N ARG 374.A O no hydrogen 2.985 N/A MET 553.A N ILE 351.A O no hydrogen 3.474 N/A THR 554.A OG1 SER 557.A OG no hydrogen 3.335 N/A LEU 555.A N TYR 353.A O no hydrogen 3.069 N/A SER 557.A N THR 554.A OG1 no hydrogen 3.401 N/A SER 557.A OG THR 554.A O no hydrogen 3.417 N/A SER 557.A OG THR 554.A OG1 no hydrogen 3.335 N/A ALA 558.A N LEU 555.A O no hydrogen 3.081 N/A LYS 559.A NZ GLU 220.A OE1 no hydrogen 2.653 N/A LYS 559.A NZ ASP 223.A OD2 no hydrogen 2.642 N/A LEU 561.A N ALA 558.A O no hydrogen 2.980 N/A PHE 563.A N ARG 601.A O no hydrogen 3.013 N/A GLN 565.A N GLU 348.A O no hydrogen 3.098 N/A VAL 566.A N LYS 605.A O no hydrogen 3.062 N/A PHE 567.A N ALA 350.A O no hydrogen 2.560 N/A ILE 568.A N THR 607.A O no hydrogen 3.016 N/A VAL 569.A N LEU 352.A O no hydrogen 2.861 N/A GLY 570.A N GLU 328.A OE2 no hydrogen 3.111 N/A MET 571.A N THR 609.A O no hydrogen 2.935 N/A GLU 572.A N GLY 570.A O no hydrogen 2.839 N/A GLU 573.A N ARG 624.A O no hydrogen 2.767 N/A GLY 574.A N PRO 577.A O no hydrogen 2.777 N/A MET 575.A N GLU 572.A O no hydrogen 3.120 N/A PHE 576.A N GLU 572.A O no hydrogen 3.007 N/A SER 578.A OG GLY 574.A O no hydrogen 2.922 N/A LEU 582.A N GLN 579.A O no hydrogen 2.419 N/A ASP 583.A N GLN 579.A O no hydrogen 3.393 N/A GLU 584.A N LEU 582.A O no hydrogen 2.601 N/A GLU 591.A N ARG 587.A O no hydrogen 2.863 N/A ARG 592.A N LEU 588.A O no hydrogen 2.789 N/A ARG 592.A NE GLU 631.A OE1 no hydrogen 2.784 N/A ARG 592.A NH1 GLU 631.A OE2 no hydrogen 3.076 N/A ARG 592.A NH2 ASN 299.A OD1 no hydrogen 2.677 N/A ARG 593.A N GLU 589.A O no hydrogen 3.035 N/A ARG 593.A NE SER 251.A O no hydrogen 2.878 N/A LEU 594.A N GLU 590.A O no hydrogen 2.769 N/A ALA 595.A N GLU 591.A O no hydrogen 3.015 N/A TYR 596.A N ARG 592.A O no hydrogen 2.793 N/A VAL 597.A N ARG 593.A O no hydrogen 2.851 N/A GLY 598.A N LEU 594.A O no hydrogen 2.994 N/A VAL 599.A N ALA 595.A O no hydrogen 2.926 N/A THR 600.A N TYR 596.A O no hydrogen 2.994 N/A THR 600.A OG1 TYR 596.A O no hydrogen 2.960 N/A THR 600.A OG1 VAL 597.A O no hydrogen 2.921 N/A ARG 601.A N GLY 598.A O no hydrogen 3.090 N/A ARG 601.A NE LEU 561.A O no hydrogen 2.722 N/A ARG 601.A NH1 VAL 597.A O no hydrogen 2.654 N/A ARG 601.A NH1 THR 600.A OG1 no hydrogen 2.919 N/A ALA 602.A N VAL 599.A O no hydrogen 3.307 N/A MET 603.A N PHE 563.A O no hydrogen 2.921 N/A GLN 604.A N PRO 564.A O no hydrogen 2.912 N/A LYS 605.A N PRO 564.A O no hydrogen 2.712 N/A LYS 605.A NZ GLU 315.A OE1 no hydrogen 2.871 N/A LYS 605.A NZ PRO 316.A O no hydrogen 3.269 N/A THR 607.A N VAL 566.A O no hydrogen 3.100 N/A LEU 608.A N SER 318.A O no hydrogen 2.803 N/A THR 609.A N ILE 568.A O no hydrogen 3.062 N/A THR 609.A OG1 GLU 328.A OE2 no hydrogen 2.793 N/A TYR 610.A N TYR 320.A O no hydrogen 2.999 N/A ALA 611.A N GLU 572.A OE1 no hydrogen 3.341 N/A GLU 612.A N ALA 322.A O no hydrogen 2.985 N/A GLU 612.A N PHE 323.A O no hydrogen 3.062 N/A THR 613.A N PHE 323.A O no hydrogen 3.155 N/A ARG 614.A N VAL 621.A O no hydrogen 3.390 N/A ARG 614.A NE GLU 572.A OE2 no hydrogen 2.517 N/A ARG 614.A NH2 GLU 572.A OE1 no hydrogen 2.521 N/A ARG 615.A N GLU 325.A OE1 no hydrogen 3.244 N/A VAL 621.A N ARG 614.A O no hydrogen 2.896 N/A HIS 623.A ND1 GLU 573.A O no hydrogen 2.568 N/A SER 626.A N MET 571.A O no hydrogen 3.165 N/A SER 626.A OG PHE 576.A O no hydrogen 2.874 N/A ARG 627.A N GLU 573.A OE2 no hydrogen 3.314 N/A ARG 627.A NE GLU 573.A OE2 no hydrogen 2.620 N/A ILE 629.A N SER 626.A O no hydrogen 3.144 N/A GLU 631.A N PHE 628.A O no hydrogen 2.912 N/A CYS 636.A SG GLU 635.A OE1 no hydrogen 3.715 N/A GLU 638.A N ILE 317.A O no hydrogen 2.687 N/A VAL 640.A N LEU 319.A O no hydrogen 2.762 N/A ARG 641.A NH2 GLU 639.A OE2 no hydrogen 3.149 N/A