Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pem_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N ASP 3.A OD1 no hydrogen 3.159 N/A LEU 7.A N ASP 3.A O no hydrogen 3.107 N/A ASN 8.A N TYR 4.A O no hydrogen 2.980 N/A ASN 8.A ND2 TYR 604.A O no hydrogen 3.224 N/A ALA 9.A N HIS 5.A O no hydrogen 2.709 N/A MET 10.A N ALA 6.A O no hydrogen 3.124 N/A MET 10.A N LEU 7.A O no hydrogen 2.969 N/A LEU 11.A N ASN 8.A O no hydrogen 2.785 N/A ASN 12.A N ALA 9.A O no hydrogen 2.624 N/A LEU 13.A N MET 10.A O no hydrogen 3.295 N/A ASP 15.A N HIS 19.A O no hydrogen 3.127 N/A ALA 17.A N ASP 15.A OD2 no hydrogen 3.007 N/A GLY 18.A N ASP 15.A O no hydrogen 2.527 N/A HIS 19.A N ASP 15.A OD2 no hydrogen 2.510 N/A ILE 20.A N ASN 612.A OD1 no hydrogen 2.860 N/A LYS 24.A N GLN 21.A O no hydrogen 3.121 N/A ASP 25.A N PHE 22.A O no hydrogen 2.988 N/A GLN 27.A N ASP 23.A O no hydrogen 3.214 N/A ALA 28.A N LYS 24.A O no hydrogen 3.025 N/A ILE 29.A N ASP 25.A O no hydrogen 3.009 N/A ASP 30.A N GLN 26.A O no hydrogen 3.029 N/A ALA 31.A N GLN 27.A O no hydrogen 2.926 N/A PHE 32.A N ALA 28.A O no hydrogen 3.016 N/A PHE 32.A N ILE 29.A O no hydrogen 2.675 N/A PHE 33.A N ILE 29.A O no hydrogen 2.938 N/A ALA 34.A N ASP 30.A O no hydrogen 3.047 N/A THR 35.A N ALA 31.A O no hydrogen 2.944 N/A HIS 36.A N PHE 32.A O no hydrogen 2.916 N/A HIS 36.A NE2 TYR 110.A OH no hydrogen 2.878 N/A VAL 37.A N PHE 32.A O no hydrogen 3.129 N/A ARG 38.A N PHE 33.A O no hydrogen 2.859 N/A HIS 40.A N VAL 37.A O no hydrogen 3.014 N/A SER 41.A N ARG 38.A O no hydrogen 2.997 N/A SER 41.A OG VAL 37.A O no hydrogen 2.584 N/A VAL 42.A N TYR 110.A O no hydrogen 2.844 N/A GLU 49.A N SER 46.A OG no hydrogen 3.344 N/A ARG 50.A N SER 46.A O no hydrogen 3.006 N/A ARG 50.A NH1 GLN 47.A OE1 no hydrogen 3.076 N/A ARG 50.A NH2 TYR 60.A OH no hydrogen 3.002 N/A ARG 50.A NH2 LEU 111.A O no hydrogen 2.798 N/A LEU 51.A N GLN 47.A O no hydrogen 2.821 N/A GLY 52.A N HIS 48.A O no hydrogen 3.080 N/A THR 53.A N GLU 49.A O no hydrogen 2.729 N/A THR 53.A OG1 GLU 49.A O no hydrogen 3.130 N/A LEU 54.A N ARG 50.A O no hydrogen 2.769 N/A VAL 55.A N LEU 51.A O no hydrogen 3.109 N/A ARG 56.A N GLY 52.A O no hydrogen 2.888 N/A GLU 57.A N THR 53.A O no hydrogen 2.828 N/A GLY 58.A N VAL 55.A O no hydrogen 3.268 N/A TYR 59.A N LEU 54.A O no hydrogen 2.927 N/A TYR 60.A N LEU 54.A O no hydrogen 3.218 N/A TYR 60.A OH GLU 112.A OE2 no hydrogen 2.519 N/A ASP 61.A N GLY 156.A O no hydrogen 2.992 N/A VAL 64.A N ASP 61.A O no hydrogen 2.861 N/A ALA 66.A N ASP 62.A O no hydrogen 2.885 N/A ARG 67.A NH2 GLN 127.A O no hydrogen 3.361 N/A TYR 68.A N LEU 65.A O no hydrogen 3.034 N/A TYR 68.A OH LEU 123.A O no hydrogen 2.723 N/A VAL 73.A N ASP 69.A O no hydrogen 3.205 N/A LEU 74.A N ARG 70.A O no hydrogen 2.917 N/A ARG 75.A N ALA 71.A O no hydrogen 2.978 N/A LEU 76.A N PHE 72.A O no hydrogen 2.891 N/A PHE 77.A N VAL 73.A O no hydrogen 3.151 N/A GLU 78.A N LEU 74.A O no hydrogen 3.279 N/A GLU 78.A N ARG 75.A O no hydrogen 2.802 N/A HIS 79.A N ARG 75.A O no hydrogen 2.842 N/A HIS 79.A NE2 ASP 138.A OD1 no hydrogen 3.091 N/A ALA 80.A N LEU 76.A O no hydrogen 2.962 N/A HIS 81.A N PHE 77.A O no hydrogen 3.064 N/A HIS 81.A ND1 PHE 77.A O no hydrogen 2.859 N/A ALA 82.A N HIS 79.A O no hydrogen 3.246 N/A SER 83.A N ALA 80.A O no hydrogen 2.881 N/A SER 83.A OG ALA 80.A O no hydrogen 2.830 N/A PHE 90.A N ASP 25.A OD1 no hydrogen 3.457 N/A GLY 92.A N THR 89.A OG1 no hydrogen 3.405 N/A ALA 93.A N THR 89.A O no hydrogen 3.193 N/A TRP 94.A N PHE 90.A O no hydrogen 2.734 N/A LYS 95.A N LEU 91.A O no hydrogen 2.610 N/A LYS 95.A NZ GLU 597.A OE2 no hydrogen 3.117 N/A PHE 96.A N GLY 92.A O no hydrogen 3.045 N/A TYR 97.A N ALA 93.A O no hydrogen 3.075 N/A TYR 97.A OH HIS 113.A ND1 no hydrogen 2.671 N/A THR 98.A N TRP 94.A O no hydrogen 2.949 N/A THR 98.A OG1 TRP 94.A O no hydrogen 2.279 N/A THR 98.A OG1 LYS 95.A O no hydrogen 3.337 N/A SER 99.A N LYS 95.A O no hydrogen 3.163 N/A SER 99.A OG LYS 95.A O no hydrogen 3.079 N/A TYR 100.A N PHE 96.A O no hydrogen 2.881 N/A THR 101.A N PHE 96.A O no hydrogen 2.868 N/A THR 101.A OG1 GLU 112.A O no hydrogen 2.680 N/A LEU 102.A N GLU 112.A OE1 no hydrogen 3.178 N/A THR 104.A N ARG 109.A O no hydrogen 3.062 N/A THR 104.A OG1 ASP 106.A OD2 no hydrogen 2.466 N/A THR 104.A OG1 ARG 109.A O no hydrogen 3.552 N/A PHE 105.A N TYR 59.A OH no hydrogen 3.033 N/A GLY 107.A N THR 104.A O no hydrogen 2.699 N/A LYS 108.A N THR 104.A OG1 no hydrogen 3.262 N/A TYR 110.A N HIS 40.A O no hydrogen 2.757 N/A TYR 110.A OH HIS 36.A NE2 no hydrogen 2.878 N/A LEU 111.A N LEU 102.A O no hydrogen 2.877 N/A HIS 113.A ND1 TYR 97.A OH no hydrogen 2.671 N/A ARG 117.A N HIS 113.A O no hydrogen 3.037 N/A ARG 117.A NE GLU 112.A OE1 no hydrogen 2.647 N/A ARG 117.A NE GLU 112.A OE2 no hydrogen 2.993 N/A ARG 117.A NH1 PHE 152.A O no hydrogen 3.359 N/A ARG 117.A NH1 CYS 155.A O no hydrogen 2.713 N/A ARG 117.A NH2 GLU 112.A OE2 no hydrogen 2.662 N/A ARG 117.A NH2 CYS 155.A O no hydrogen 3.010 N/A VAL 118.A N PHE 114.A O no hydrogen 2.834 N/A THR 119.A N GLU 115.A O no hydrogen 2.751 N/A THR 119.A OG1 GLU 115.A O no hydrogen 2.500 N/A MET 120.A N ASP 116.A O no hydrogen 3.035 N/A VAL 121.A N ARG 117.A O no hydrogen 3.062 N/A ALA 122.A N VAL 118.A O no hydrogen 2.871 N/A LEU 123.A N THR 119.A O no hydrogen 2.705 N/A THR 124.A N MET 120.A O no hydrogen 2.891 N/A THR 124.A OG1 MET 120.A O no hydrogen 2.914 N/A LEU 125.A N VAL 121.A O no hydrogen 2.859 N/A ALA 126.A N ALA 122.A O no hydrogen 2.933 N/A GLN 127.A N LEU 123.A O no hydrogen 3.309 N/A GLY 128.A N TYR 68.A OH no hydrogen 2.851 N/A ASP 129.A N ALA 126.A O no hydrogen 3.107 N/A LEU 132.A N ASP 129.A OD2 no hydrogen 3.152 N/A ALA 133.A N ASP 129.A O no hydrogen 2.863 N/A THR 134.A N GLU 130.A O no hydrogen 2.944 N/A THR 134.A OG1 GLU 130.A O no hydrogen 2.796 N/A GLN 135.A N THR 131.A O no hydrogen 2.767 N/A LEU 136.A N LEU 132.A O no hydrogen 2.701 N/A THR 137.A N ALA 133.A O no hydrogen 2.998 N/A THR 137.A OG1 ALA 133.A O no hydrogen 2.886 N/A ASP 138.A N THR 134.A O no hydrogen 3.044 N/A ASP 138.A N GLN 135.A O no hydrogen 2.853 N/A GLU 139.A N GLN 135.A O no hydrogen 2.875 N/A MET 140.A N LEU 136.A O no hydrogen 2.927 N/A LEU 141.A N THR 137.A O no hydrogen 2.949 N/A SER 142.A N ASP 138.A O no hydrogen 2.868 N/A SER 142.A OG ASP 138.A O no hydrogen 3.141 N/A SER 142.A OG GLU 139.A O no hydrogen 2.906 N/A GLY 143.A N MET 140.A O no hydrogen 3.158 N/A ARG 144.A N SER 142.A OG no hydrogen 3.194 N/A ARG 144.A NE GLU 139.A OE1 no hydrogen 3.177 N/A ARG 144.A NH2 GLU 139.A OE2 no hydrogen 2.758 N/A PHE 145.A N GLU 139.A O no hydrogen 3.214 N/A GLN 146.A N SER 402.A O no hydrogen 2.976 N/A GLN 146.A NE2 PRO 147.A O no hydrogen 2.652 N/A ALA 148.A N LEU 400.A O no hydrogen 2.955 N/A THR 151.A N ALA 148.A O no hydrogen 2.864 N/A PHE 152.A N ALA 148.A O no hydrogen 3.094 N/A LEU 153.A N THR 149.A O no hydrogen 2.847 N/A ASN 154.A N THR 151.A O no hydrogen 3.312 N/A ASN 154.A ND2 PRO 150.A O no hydrogen 2.752 N/A CYS 155.A N THR 151.A O no hydrogen 3.171 N/A CYS 155.A SG THR 151.A O no hydrogen 3.391 N/A LYS 157.A N ASN 154.A O no hydrogen 2.938 N/A LYS 157.A NZ TYR 100.A O no hydrogen 3.012 N/A LYS 157.A NZ LEU 153.A O no hydrogen 2.665 N/A GLN 158.A N TYR 59.A O no hydrogen 2.823 N/A GLN 158.A NE2 ASP 61.A OD2 no hydrogen 2.664 N/A ARG 160.A NE GLY 161.A O no hydrogen 3.411 N/A GLY 161.A N ASN 154.A OD1 no hydrogen 2.985 N/A PHE 167.A N GLY 194.A O no hydrogen 2.884 N/A LEU 168.A N ILE 396.A O no hydrogen 2.749 N/A LEU 169.A N ALA 196.A O no hydrogen 2.767 N/A ARG 170.A N ASP 395.A OD1 no hydrogen 2.913 N/A ARG 170.A NE GLU 172.A OE1 no hydrogen 3.393 N/A ARG 170.A NH1 ASP 307.A OD2 no hydrogen 3.055 N/A ARG 170.A NH1 ASN 378.A OD1 no hydrogen 3.047 N/A ARG 170.A NH2 GLU 172.A OE2 no hydrogen 2.594 N/A ARG 170.A NH2 ASP 307.A OD1 no hydrogen 3.268 N/A GLU 172.A N SER 177.A OG no hydrogen 2.699 N/A ASN 174.A N GLU 172.A O no hydrogen 2.779 N/A ILE 178.A N ASN 174.A O no hydrogen 3.103 N/A GLY 179.A N MET 175.A O no hydrogen 2.724 N/A ARG 180.A N GLU 176.A O no hydrogen 2.896 N/A ARG 180.A NH2 LEU 387.A O no hydrogen 3.030 N/A ALA 181.A N SER 177.A O no hydrogen 2.918 N/A VAL 182.A N ILE 178.A O no hydrogen 3.161 N/A ASN 183.A N GLY 179.A O no hydrogen 3.099 N/A SER 184.A N ARG 180.A O no hydrogen 2.662 N/A SER 184.A OG ARG 180.A O no hydrogen 2.795 N/A ALA 185.A N ALA 181.A O no hydrogen 2.763 N/A LEU 186.A N VAL 182.A O no hydrogen 2.930 N/A GLN 187.A N ASN 183.A O no hydrogen 2.822 N/A LEU 188.A N SER 184.A O no hydrogen 2.947 N/A SER 189.A N ALA 185.A O no hydrogen 2.958 N/A LYS 190.A N LEU 186.A O no hydrogen 2.959 N/A ARG 191.A N LEU 188.A O no hydrogen 2.951 N/A ARG 191.A NE GLN 187.A O no hydrogen 2.858 N/A GLY 193.A N LEU 188.A O no hydrogen 3.142 N/A VAL 195.A N ALA 237.A O no hydrogen 2.907 N/A ALA 196.A N PHE 167.A O no hydrogen 2.942 N/A PHE 197.A N ALA 239.A O no hydrogen 2.745 N/A LEU 198.A N LEU 169.A O no hydrogen 3.123 N/A LEU 199.A N TYR 241.A O no hydrogen 2.896 N/A ASN 201.A ND2 ILE 171.A O no hydrogen 3.402 N/A LEU 202.A N LEU 199.A O no hydrogen 2.934 N/A ARG 203.A N ASP 173.A OD2 no hydrogen 3.364 N/A ARG 203.A NE ASP 173.A OD1 no hydrogen 3.055 N/A ARG 203.A NE ASP 173.A OD2 no hydrogen 3.136 N/A ARG 203.A NH2 ASP 173.A OD1 no hydrogen 2.983 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.666 N/A ALA 205.A N ASP 248.A OD1 no hydrogen 3.477 N/A ALA 205.A N ASP 248.A OD2 no hydrogen 3.164 N/A GLY 206.A N SER 216.A O no hydrogen 3.127 N/A ALA 207.A N GLU 204.A O no hydrogen 3.105 N/A ILE 209.A N ILE 212.A O no hydrogen 3.337 N/A ILE 212.A N ILE 209.A O no hydrogen 2.815 N/A GLN 215.A N ALA 207.A O no hydrogen 3.282 N/A SER 216.A OG ARG 203.A O no hydrogen 3.548 N/A SER 216.A OG GLU 204.A O no hydrogen 2.533 N/A MET 223.A N VAL 219.A O no hydrogen 2.842 N/A LYS 224.A N ILE 220.A O no hydrogen 2.829 N/A MET 225.A N PRO 221.A O no hydrogen 3.220 N/A MET 225.A N VAL 222.A O no hydrogen 3.136 N/A LEU 226.A N VAL 222.A O no hydrogen 3.147 N/A GLU 227.A N MET 223.A O no hydrogen 2.767 N/A ASP 228.A N LYS 224.A O no hydrogen 3.161 N/A ALA 229.A N MET 225.A O no hydrogen 3.124 N/A PHE 230.A N LEU 226.A O no hydrogen 2.868 N/A SER 231.A N GLU 227.A O no hydrogen 2.919 N/A TYR 232.A N ASP 228.A O no hydrogen 2.900 N/A ALA 233.A N ALA 229.A O no hydrogen 3.136 N/A ALA 239.A N VAL 195.A O no hydrogen 2.915 N/A VAL 240.A N SER 270.A O no hydrogen 2.832 N/A TYR 241.A N PHE 197.A O no hydrogen 2.931 N/A TYR 241.A OH ASN 369.A O no hydrogen 2.768 N/A LEU 242.A N GLY 272.A O no hydrogen 3.022 N/A ALA 244.A N VAL 274.A O no hydrogen 2.664 N/A HIS 245.A N HIS 243.A ND1 no hydrogen 2.846 N/A HIS 245.A ND1 ALA 290.A O no hydrogen 3.104 N/A HIS 246.A N HIS 243.A O no hydrogen 3.079 N/A HIS 246.A NE2 LEU 202.A O no hydrogen 2.978 N/A ASP 248.A N HIS 246.A ND1 no hydrogen 2.845 N/A ILE 249.A N HIS 246.A O no hydrogen 2.786 N/A PHE 252.A N ASP 248.A O no hydrogen 2.804 N/A LEU 253.A N ILE 249.A O no hydrogen 3.004 N/A ASP 254.A N LEU 250.A O no hydrogen 3.039 N/A THR 255.A OG1 PHE 252.A O no hydrogen 2.664 N/A LYS 256.A N LEU 253.A O no hydrogen 3.072 N/A ARG 257.A N ASP 254.A O no hydrogen 3.205 N/A ARG 257.A NH2 GLU 339.A OE1 no hydrogen 2.902 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.670 N/A ALA 260.A N ARG 257.A O no hydrogen 3.246 N/A LYS 267.A NZ LYS 267.A O no hydrogen 3.049 N/A THR 268.A N GLU 227.A OE1 no hydrogen 3.344 N/A THR 268.A N GLU 227.A OE2 no hydrogen 3.108 N/A LEU 269.A N GLU 227.A OE2 no hydrogen 3.091 N/A SER 270.A N GLY 238.A O no hydrogen 2.956 N/A SER 270.A OG TYR 346.A OH no hydrogen 3.299 N/A GLY 272.A N VAL 240.A O no hydrogen 2.867 N/A VAL 273.A N TYR 348.A O no hydrogen 2.953 N/A VAL 274.A N LEU 242.A O no hydrogen 3.031 N/A ILE 275.A N MET 350.A O no hydrogen 3.137 N/A ASP 277.A N ASP 353.A OD1 no hydrogen 2.559 N/A PHE 280.A N ASP 277.A O no hydrogen 2.962 N/A ARG 281.A N ASP 277.A O no hydrogen 3.408 N/A ARG 281.A NE GLU 285.A OE1 no hydrogen 3.341 N/A ARG 281.A NH2 GLU 285.A OE2 no hydrogen 3.436 N/A LEU 282.A N ILE 278.A O no hydrogen 2.755 N/A ALA 283.A N THR 279.A O no hydrogen 3.252 N/A LYS 284.A N PHE 280.A O no hydrogen 2.948 N/A GLU 285.A N ARG 281.A O no hydrogen 3.101 N/A ASN 286.A N ALA 283.A O no hydrogen 3.213 N/A ALA 287.A N LEU 282.A O no hydrogen 2.830 N/A MET 289.A N ILE 328.A O no hydrogen 2.607 N/A ALA 290.A N TYR 314.A OH no hydrogen 2.907 N/A LEU 291.A N THR 326.A O no hydrogen 2.705 N/A PHE 292.A N HIS 245.A O no hydrogen 3.357 N/A SER 293.A N ARG 324.A O no hydrogen 3.265 N/A SER 293.A OG GLU 204.A OE1 no hydrogen 3.209 N/A SER 293.A OG GLU 204.A OE2 no hydrogen 3.031 N/A ASP 296.A N SER 293.A OG no hydrogen 2.897 N/A ILE 297.A N SER 293.A O no hydrogen 2.927 N/A GLN 298.A N PRO 294.A O no hydrogen 3.177 N/A ARG 299.A N TYR 295.A O no hydrogen 3.414 N/A ARG 300.A N ASP 296.A O no hydrogen 2.939 N/A ARG 300.A NE ASP 320.A OD2 no hydrogen 3.299 N/A ARG 300.A NH2 ASP 320.A OD2 no hydrogen 2.849 N/A TYR 301.A N GLN 298.A O no hydrogen 3.261 N/A TYR 301.A OH ASP 320.A OD2 no hydrogen 3.398 N/A GLY 302.A N GLN 298.A O no hydrogen 2.683 N/A GLY 306.A N ASN 201.A OD1 no hydrogen 2.836 N/A ASP 307.A N PRO 304.A O no hydrogen 2.761 N/A ILE 308.A N PHE 305.A O no hydrogen 3.412 N/A SER 311.A OG ASP 353.A OD1 no hydrogen 2.831 N/A ARG 313.A N ALA 309.A O no hydrogen 2.875 N/A TYR 314.A N SER 311.A O no hydrogen 3.344 N/A LEU 317.A N ARG 313.A O no hydrogen 2.873 N/A ILE 318.A N TYR 314.A O no hydrogen 3.052 N/A ALA 319.A N ASP 315.A O no hydrogen 2.905 N/A ASP 320.A N GLU 316.A O no hydrogen 3.204 N/A HIS 322.A N ASP 320.A OD1 no hydrogen 2.900 N/A VAL 323.A N ASP 320.A O no hydrogen 3.239 N/A ARG 324.A N ASP 296.A OD2 no hydrogen 2.833 N/A LYS 325.A NZ ASP 320.A O no hydrogen 2.711 N/A LYS 325.A NZ VAL 323.A O no hydrogen 2.385 N/A THR 326.A N LEU 291.A O no hydrogen 2.933 N/A ILE 328.A N MET 289.A O no hydrogen 3.074 N/A ARG 331.A NE ALA 283.A O no hydrogen 2.825 N/A ARG 331.A NH2 ALA 283.A O no hydrogen 2.656 N/A PHE 333.A N ASN 329.A O no hydrogen 2.824 N/A PHE 333.A N ALA 330.A O no hydrogen 2.636 N/A PHE 334.A N ALA 330.A O no hydrogen 3.137 N/A GLN 335.A N ARG 331.A O no hydrogen 2.921 N/A GLN 335.A NE2 THR 656.A OG1 no hydrogen 3.167 N/A THR 336.A N ASP 332.A O no hydrogen 3.012 N/A THR 336.A OG1 PHE 333.A O no hydrogen 3.308 N/A LEU 337.A N PHE 333.A O no hydrogen 2.850 N/A ALA 338.A N PHE 334.A O no hydrogen 3.030 N/A GLU 339.A N GLN 335.A O no hydrogen 3.073 N/A ILE 340.A N THR 336.A O no hydrogen 2.921 N/A GLN 341.A N LEU 337.A O no hydrogen 3.029 N/A GLN 341.A NE2 GLN 663.A OE1 no hydrogen 2.461 N/A PHE 342.A N ALA 338.A O no hydrogen 2.752 N/A GLU 343.A N GLU 339.A O no hydrogen 3.193 N/A SER 344.A N ILE 340.A O no hydrogen 2.844 N/A SER 344.A OG ILE 340.A O no hydrogen 2.849 N/A GLY 345.A N GLN 341.A O no hydrogen 2.668 N/A TYR 346.A OH SER 270.A OG no hydrogen 3.299 N/A TYR 348.A N LEU 271.A O no hydrogen 3.346 N/A TYR 348.A OH LEU 370.A O no hydrogen 3.314 N/A ILE 349.A N LEU 674.A O no hydrogen 3.032 N/A MET 350.A N VAL 273.A O no hydrogen 3.079 N/A PHE 351.A N LYS 672.A O no hydrogen 3.102 N/A GLU 352.A N MET 350.A O no hydrogen 2.946 N/A VAL 355.A N PHE 351.A O no hydrogen 2.932 N/A ASN 356.A N GLU 352.A O no hydrogen 3.170 N/A ASN 356.A ND2 GLU 352.A O no hydrogen 2.943 N/A ASN 356.A ND2 ILE 365.A O no hydrogen 3.422 N/A ARG 357.A N ASP 353.A O no hydrogen 2.937 N/A ARG 357.A NH2 ASP 277.A OD1 no hydrogen 3.230 N/A ALA 358.A N THR 354.A O no hydrogen 3.241 N/A ALA 358.A N VAL 355.A O no hydrogen 3.062 N/A ASN 359.A N VAL 355.A O no hydrogen 2.811 N/A ASN 359.A ND2 GLY 363.A O no hydrogen 3.369 N/A ILE 361.A N ASN 359.A OD1 no hydrogen 2.616 N/A ARG 364.A NH2 ILE 308.A O no hydrogen 3.341 N/A ILE 365.A N ASN 356.A OD1 no hydrogen 2.877 N/A ASN 366.A ND2 GLY 306.A O no hydrogen 3.448 N/A ASN 366.A ND2 ASN 378.A OD1 no hydrogen 3.189 N/A SER 368.A OG ILE 374.A O no hydrogen 2.835 N/A CYS 371.A SG TYR 675.A OH no hydrogen 3.750 N/A SER 372.A N ASN 369.A O no hydrogen 2.891 N/A SER 372.A OG CYS 371.A O no hydrogen 2.505 N/A GLU 373.A N ASN 369.A OD1 no hydrogen 2.791 N/A ILE 374.A N ASN 369.A OD1 no hydrogen 2.665 N/A GLN 376.A NE2 GLN 642.A OE1 no hydrogen 2.772 N/A ASN 378.A ND2 ASN 366.A OD1 no hydrogen 2.987 N/A SER 379.A N HIS 394.A O no hydrogen 2.884 N/A ARG 382.A N HIS 391.A O no hydrogen 2.984 N/A ASP 384.A N ASP 388.A O no hydrogen 2.580 N/A ASN 386.A N ASP 384.A OD1 no hydrogen 3.415 N/A LEU 387.A N ASP 384.A O no hydrogen 2.763 N/A THR 390.A N ARG 382.A O no hydrogen 2.618 N/A HIS 391.A N ARG 382.A O no hydrogen 3.055 N/A GLY 393.A N SER 381.A OG no hydrogen 2.769 N/A HIS 394.A N SER 379.A O no hydrogen 3.041 N/A HIS 394.A N SER 379.A OG no hydrogen 3.037 N/A ASP 395.A N SER 439.A O no hydrogen 3.357 N/A ILE 396.A N LEU 168.A O no hydrogen 3.100 N/A CYS 398.A SG ASN 399.A O no hydrogen 3.863 N/A ASN 399.A ND2 LEU 425.A O no hydrogen 3.172 N/A GLY 401.A N GLY 451.A O no hydrogen 3.214 N/A SER 402.A N GLN 146.A O no hydrogen 3.329 N/A LEU 403.A N GLY 453.A O no hydrogen 3.058 N/A ASN 404.A N ARG 144.A O no hydrogen 2.851 N/A ASN 404.A ND2 ASN 579.A OD1 no hydrogen 3.382 N/A ILE 405.A N MET 455.A O no hydrogen 2.977 N/A HIS 407.A N ASN 404.A OD1 no hydrogen 3.185 N/A HIS 407.A ND1 GLY 143.A O no hydrogen 3.241 N/A VAL 408.A N ASN 404.A O no hydrogen 2.982 N/A MET 409.A N ILE 405.A O no hydrogen 2.854 N/A ASP 410.A N ALA 406.A O no hydrogen 2.928 N/A ASP 410.A N HIS 407.A O no hydrogen 3.056 N/A SER 411.A N VAL 408.A O no hydrogen 3.025 N/A ILE 414.A N PRO 412.A O no hydrogen 2.947 N/A ARG 416.A N ASP 413.A O no hydrogen 3.210 N/A ARG 416.A N ASP 413.A OD2 no hydrogen 3.413 N/A THR 417.A N ASP 413.A O no hydrogen 3.222 N/A THR 417.A OG1 GLU 139.A OE1 no hydrogen 3.465 N/A THR 417.A OG1 ASP 413.A O no hydrogen 3.262 N/A VAL 418.A N ILE 414.A O no hydrogen 2.814 N/A GLU 419.A N GLY 415.A O no hydrogen 2.982 N/A THR 420.A N ARG 416.A O no hydrogen 2.974 N/A THR 420.A OG1 ARG 416.A O no hydrogen 3.044 N/A ILE 422.A N VAL 418.A O no hydrogen 3.051 N/A ARG 423.A N GLU 419.A O no hydrogen 2.926 N/A ARG 423.A NE GLU 419.A OE1 no hydrogen 2.889 N/A ARG 423.A NH1 GLU 498.A OE2 no hydrogen 3.133 N/A ARG 423.A NH2 GLU 419.A OE1 no hydrogen 3.366 N/A ARG 423.A NH2 GLU 498.A OE1 no hydrogen 2.696 N/A ARG 423.A NH2 GLU 498.A OE2 no hydrogen 3.167 N/A GLY 424.A N THR 420.A O no hydrogen 2.822 N/A LEU 425.A N ALA 421.A O no hydrogen 2.794 N/A THR 426.A N ILE 422.A O no hydrogen 2.901 N/A THR 426.A OG1 ILE 422.A O no hydrogen 2.563 N/A ALA 427.A N ARG 423.A O no hydrogen 2.946 N/A VAL 428.A N GLY 424.A O no hydrogen 3.155 N/A VAL 428.A N LEU 425.A O no hydrogen 2.848 N/A SER 429.A N LEU 425.A O no hydrogen 3.131 N/A ASP 430.A N THR 426.A O no hydrogen 2.884 N/A MET 431.A N ALA 427.A O no hydrogen 3.085 N/A SER 432.A N SER 429.A O no hydrogen 2.893 N/A ARG 435.A N HIS 433.A O no hydrogen 2.920 N/A VAL 437.A N ILE 434.A O no hydrogen 3.113 N/A SER 439.A OG ASP 395.A OD2 no hydrogen 2.813 N/A ALA 441.A N VAL 437.A O no hydrogen 3.196 N/A ALA 442.A N PRO 438.A O no hydrogen 2.666 N/A GLY 443.A N SER 439.A O no hydrogen 2.832 N/A ASN 444.A N ILE 440.A O no hydrogen 3.083 N/A ASN 444.A ND2 SER 429.A OG no hydrogen 2.431 N/A ALA 445.A N ALA 441.A O no hydrogen 3.004 N/A ALA 446.A N ALA 442.A O no hydrogen 3.019 N/A ALA 446.A N GLY 443.A O no hydrogen 3.203 N/A SER 447.A N GLY 443.A O no hydrogen 3.065 N/A SER 447.A OG GLY 443.A O no hydrogen 2.831 N/A HIS 448.A N ASN 444.A O no hydrogen 2.934 N/A HIS 448.A ND1 TYR 562.A O no hydrogen 3.295 N/A ILE 450.A N ASN 565.A O no hydrogen 3.069 N/A GLY 451.A N ASN 399.A O no hydrogen 3.047 N/A LEU 452.A N LEU 566.A O no hydrogen 2.780 N/A GLY 453.A N GLY 401.A O no hydrogen 2.678 N/A ASN 456.A N THR 582.A O no hydrogen 2.909 N/A ASN 456.A ND2 ASN 404.A OD1 no hydrogen 2.979 N/A GLY 459.A N THR 582.A OG1 no hydrogen 3.160 N/A TYR 460.A N ASN 456.A O no hydrogen 2.772 N/A LEU 461.A N LEU 457.A O no hydrogen 2.845 N/A ALA 462.A N HIS 458.A O no hydrogen 2.777 N/A ARG 463.A N GLY 459.A O no hydrogen 3.158 N/A ARG 463.A NE GLU 464.A OE1 no hydrogen 3.380 N/A ARG 463.A NH1 ASP 410.A OD1 no hydrogen 2.920 N/A ARG 463.A NH2 ASP 410.A OD2 no hydrogen 2.882 N/A ARG 463.A NH2 GLU 464.A OE1 no hydrogen 2.999 N/A GLU 464.A N TYR 460.A O no hydrogen 3.127 N/A GLY 465.A N ALA 462.A O no hydrogen 2.701 N/A ILE 466.A N LEU 461.A O no hydrogen 2.929 N/A TYR 468.A OH ILE 585.A O no hydrogen 2.806 N/A TYR 468.A OH THR 632.A OG1 no hydrogen 3.371 N/A SER 470.A N ALA 467.A O no hydrogen 3.178 N/A SER 470.A OG ALA 467.A O no hydrogen 3.348 N/A GLU 472.A N SER 470.A OG no hydrogen 3.054 N/A ALA 473.A N SER 470.A OG no hydrogen 3.271 N/A LEU 474.A N SER 470.A O no hydrogen 2.988 N/A ASP 475.A N PRO 471.A O no hydrogen 3.053 N/A ASP 475.A N GLU 472.A O no hydrogen 2.813 N/A PHE 476.A N GLU 472.A O no hydrogen 2.791 N/A THR 477.A N ALA 473.A O no hydrogen 2.904 N/A THR 477.A OG1 ALA 473.A O no hydrogen 2.767 N/A ASN 478.A N LEU 474.A O no hydrogen 3.229 N/A LEU 479.A N ASP 475.A O no hydrogen 3.112 N/A TYR 480.A N PHE 476.A O no hydrogen 2.715 N/A TYR 480.A OH GLN 454.A OE1 no hydrogen 2.639 N/A PHE 481.A N THR 477.A O no hydrogen 3.094 N/A TYR 482.A N ASN 478.A O no hydrogen 2.942 N/A TYR 482.A OH PRO 544.A O no hydrogen 3.021 N/A THR 483.A N LEU 479.A O no hydrogen 2.881 N/A THR 483.A N TYR 480.A O no hydrogen 2.973 N/A THR 483.A OG1 LEU 479.A O no hydrogen 3.099 N/A ILE 484.A N TYR 480.A O no hydrogen 3.011 N/A THR 485.A N PHE 481.A O no hydrogen 3.059 N/A THR 485.A OG1 PHE 481.A O no hydrogen 2.899 N/A TRP 486.A N TYR 482.A O no hydrogen 3.404 N/A TRP 486.A NE1 MET 548.A O no hydrogen 3.267 N/A HIS 487.A N THR 483.A O no hydrogen 3.172 N/A ALA 488.A N ILE 484.A O no hydrogen 3.067 N/A ALA 488.A N THR 485.A O no hydrogen 2.959 N/A VAL 489.A N THR 485.A O no hydrogen 3.077 N/A HIS 490.A N TRP 486.A O no hydrogen 2.949 N/A THR 491.A N HIS 487.A O no hydrogen 3.012 N/A THR 491.A OG1 HIS 487.A O no hydrogen 2.588 N/A SER 492.A N ALA 488.A O no hydrogen 2.771 N/A SER 492.A OG ASN 563.A OD1 no hydrogen 2.515 N/A MET 493.A N VAL 489.A O no hydrogen 2.830 N/A ARG 494.A N HIS 490.A O no hydrogen 2.897 N/A LEU 495.A N THR 491.A O no hydrogen 2.894 N/A ALA 496.A N SER 492.A O no hydrogen 3.144 N/A ARG 497.A N MET 493.A O no hydrogen 3.297 N/A ARG 497.A N ARG 494.A O no hydrogen 2.739 N/A GLU 498.A N ARG 494.A O no hydrogen 3.015 N/A ARG 499.A N LEU 495.A O no hydrogen 2.871 N/A ARG 499.A NH1 ASP 430.A OD2 no hydrogen 3.020 N/A ARG 499.A NH2 ASP 430.A OD2 no hydrogen 3.333 N/A GLY 500.A N ARG 497.A O no hydrogen 3.153 N/A LYS 501.A N ALA 496.A O no hydrogen 3.170 N/A THR 502.A OG1 PHE 503.A O no hydrogen 3.473 N/A PHE 503.A N ILE 561.A O no hydrogen 3.207 N/A ALA 504.A N ALA 446.A O no hydrogen 2.707 N/A PHE 506.A N PHE 503.A O no hydrogen 2.992 N/A GLN 508.A N GLY 505.A O no hydrogen 2.900 N/A SER 509.A N PHE 506.A O no hydrogen 2.696 N/A SER 509.A OG PHE 506.A O no hydrogen 2.792 N/A ARG 510.A N PRO 360.A O no hydrogen 3.018 N/A ARG 510.A NH2 ARG 357.A O no hydrogen 3.118 N/A TYR 511.A N SER 509.A OG no hydrogen 2.885 N/A ALA 512.A N SER 509.A OG no hydrogen 3.267 N/A SER 513.A OG ARG 510.A O no hydrogen 3.315 N/A GLY 514.A N ARG 510.A O no hydrogen 3.014 N/A ASP 515.A N SER 513.A OG no hydrogen 3.003 N/A TYR 516.A N ARG 510.A O no hydrogen 3.491 N/A PHE 517.A N GLY 514.A O no hydrogen 3.077 N/A THR 518.A N ASP 515.A O no hydrogen 3.137 N/A THR 518.A OG1 ASP 515.A O no hydrogen 3.271 N/A GLN 519.A NE2 ARG 638.A O no hydrogen 3.679 N/A TYR 520.A N PHE 517.A O no hydrogen 2.722 N/A TYR 520.A OH HIS 639.A ND1 no hydrogen 2.508 N/A LEU 521.A N THR 518.A O no hydrogen 3.059 N/A GLN 522.A N THR 518.A O no hydrogen 3.314 N/A GLN 522.A NE2 THR 518.A O no hydrogen 3.231 N/A TRP 525.A N ASP 523.A OD1 no hydrogen 3.158 N/A LYS 528.A N ASP 475.A OD1 no hydrogen 3.415 N/A THR 529.A N ASP 475.A OD2 no hydrogen 3.119 N/A THR 529.A OG1 ASP 475.A OD2 no hydrogen 3.542 N/A LYS 531.A NZ GLU 464.A O no hydrogen 3.305 N/A ARG 533.A NH2 GLN 526.A OE1 no hydrogen 3.417 N/A ALA 534.A N ALA 530.A O no hydrogen 3.025 N/A ALA 534.A N LYS 531.A O no hydrogen 3.018 N/A LEU 535.A N LYS 531.A O no hydrogen 2.956 N/A LEU 535.A N VAL 532.A O no hydrogen 2.891 N/A PHE 536.A N VAL 532.A O no hydrogen 3.320 N/A ARG 538.A N ALA 534.A O no hydrogen 2.715 N/A ARG 538.A NH1 GLU 464.A OE1 no hydrogen 3.406 N/A ARG 538.A NH1 GLU 464.A OE2 no hydrogen 3.507 N/A ARG 538.A NH2 GLU 464.A OE2 no hydrogen 3.028 N/A SER 539.A N LEU 535.A O no hydrogen 3.053 N/A SER 539.A OG MET 409.A O no hydrogen 2.885 N/A SER 539.A OG LEU 535.A O no hydrogen 3.146 N/A GLY 540.A N ALA 537.A O no hydrogen 3.219 N/A THR 545.A OG1 GLU 547.A OE1 no hydrogen 3.206 N/A ARG 546.A NH1 LEU 521.A O no hydrogen 2.779 N/A TRP 549.A N THR 545.A O no hydrogen 3.046 N/A TRP 549.A NE1 TYR 482.A OH no hydrogen 2.680 N/A LEU 550.A N ARG 546.A O no hydrogen 2.831 N/A LYS 551.A N GLU 547.A O no hydrogen 2.805 N/A LYS 551.A NZ ASP 555.A OD2 no hydrogen 3.184 N/A LEU 552.A N MET 548.A O no hydrogen 3.071 N/A ARG 553.A N TRP 549.A O no hydrogen 2.743 N/A ASP 554.A N LYS 551.A O no hydrogen 2.864 N/A ASP 555.A N LYS 551.A O no hydrogen 2.962 N/A VAL 556.A N LEU 552.A O no hydrogen 2.725 N/A MET 557.A N ARG 553.A O no hydrogen 3.048 N/A ARG 558.A N ASP 554.A O no hydrogen 3.174 N/A TYR 559.A N ASP 555.A O no hydrogen 2.877 N/A GLY 560.A N VAL 556.A O no hydrogen 2.836 N/A TYR 562.A N SER 492.A O no hydrogen 2.981 N/A TYR 562.A N SER 492.A OG no hydrogen 3.102 N/A TYR 562.A OH ASP 430.A OD1 no hydrogen 2.705 N/A ASN 563.A N SER 492.A OG no hydrogen 2.875 N/A ASN 563.A ND2 THR 426.A OG1 no hydrogen 3.119 N/A ASN 563.A ND2 HIS 448.A O no hydrogen 3.173 N/A GLN 564.A N SER 447.A O no hydrogen 2.958 N/A LEU 566.A N ASP 641.A OD1 no hydrogen 3.275 N/A LEU 566.A N ASP 641.A OD2 no hydrogen 3.076 N/A GLN 567.A N ASP 641.A OD1 no hydrogen 2.835 N/A GLN 567.A NE2 THR 485.A OG1 no hydrogen 2.581 N/A ALA 568.A N LEU 452.A O no hydrogen 3.183 N/A VAL 569.A N GLY 643.A O no hydrogen 2.928 N/A THR 572.A OG1 SER 583.A OG no hydrogen 3.293 N/A SER 576.A OG THR 572.A O no hydrogen 3.357 N/A SER 576.A OG GLY 573.A O no hydrogen 2.737 N/A TYR 577.A N SER 574.A O no hydrogen 2.847 N/A TYR 577.A OH GLU 593.A OE1 no hydrogen 2.753 N/A ILE 578.A N SER 574.A O no hydrogen 3.475 N/A ASN 579.A N ILE 575.A O no hydrogen 2.985 N/A ASN 579.A ND2 GLY 143.A O no hydrogen 3.147 N/A HIS 580.A N TYR 577.A O no hydrogen 3.258 N/A ALA 581.A N SER 576.A O no hydrogen 3.007 N/A THR 582.A N ASN 456.A OD1 no hydrogen 2.992 N/A THR 582.A OG1 ASN 456.A OD1 no hydrogen 3.381 N/A SER 583.A OG THR 572.A O no hydrogen 3.033 N/A SER 583.A OG THR 572.A OG1 no hydrogen 3.293 N/A SER 584.A OG GLN 454.A O no hydrogen 3.249 N/A HIS 586.A ND1 PRO 587.A O no hydrogen 2.802 N/A ILE 588.A N HIS 458.A ND1 no hydrogen 2.959 N/A LYS 591.A NZ TYR 618.A O no hydrogen 2.598 N/A GLU 593.A N TYR 605.A O no hydrogen 3.258 N/A ARG 595.A N VAL 603.A O no hydrogen 2.943 N/A GLY 601.A N GLY 598.A O no hydrogen 2.966 N/A ARG 602.A NH1 TYR 604.A OH no hydrogen 3.499 N/A VAL 603.A N ARG 595.A O no hydrogen 2.855 N/A TYR 604.A N ASN 8.A OD1 no hydrogen 2.977 N/A TYR 605.A N GLU 593.A O no hydrogen 2.858 N/A TYR 605.A OH HIS 580.A ND1 no hydrogen 3.297 N/A TYR 605.A OH ALA 581.A O no hydrogen 3.247 N/A ALA 607.A N LYS 591.A O no hydrogen 3.355 N/A MET 610.A N ALA 607.A O no hydrogen 3.294 N/A THR 611.A N ASN 614.A OD1 no hydrogen 2.815 N/A THR 611.A OG1 ASN 614.A OD1 no hydrogen 3.262 N/A GLU 613.A N THR 611.A OG1 no hydrogen 3.019 N/A ASN 614.A N THR 611.A O no hydrogen 2.984 N/A ASN 614.A ND2 PHE 609.A O no hydrogen 3.153 N/A MET 617.A N ASN 614.A O no hydrogen 2.624 N/A TYR 618.A N LEU 615.A O no hydrogen 2.842 N/A TYR 618.A OH PRO 608.A O no hydrogen 2.514 N/A ALA 621.A N ILE 588.A O no hydrogen 3.076 N/A TYR 622.A OH LEU 679.A O no hydrogen 3.395 N/A ASP 623.A N ASP 620.A OD1 no hydrogen 3.011 N/A ILE 624.A N ASP 620.A O no hydrogen 2.825 N/A GLY 625.A N ALA 621.A O no hydrogen 2.913 N/A ILE 629.A N GLY 625.A O no hydrogen 3.347 N/A ILE 630.A N PRO 626.A O no hydrogen 2.729 N/A ASP 631.A N GLU 627.A O no hydrogen 2.902 N/A THR 632.A N LYS 628.A O no hydrogen 3.084 N/A THR 632.A OG1 TYR 468.A OH no hydrogen 3.371 N/A THR 632.A OG1 LYS 628.A O no hydrogen 3.015 N/A TYR 633.A N ILE 629.A O no hydrogen 3.058 N/A TYR 633.A OH SER 645.A O no hydrogen 3.034 N/A ALA 634.A N ILE 630.A O no hydrogen 2.979 N/A ALA 634.A N ASP 631.A O no hydrogen 3.239 N/A GLU 635.A N ASP 631.A O no hydrogen 3.394 N/A GLU 635.A N THR 632.A O no hydrogen 2.876 N/A ALA 636.A N TYR 633.A O no hydrogen 3.155 N/A THR 637.A N TYR 633.A O no hydrogen 2.777 N/A THR 637.A OG1 TYR 633.A O no hydrogen 2.454 N/A HIS 639.A N ALA 636.A O no hydrogen 2.843 N/A HIS 639.A ND1 TYR 520.A OH no hydrogen 2.508 N/A HIS 639.A NE2 ASN 478.A OD1 no hydrogen 3.172 N/A VAL 640.A N ALA 636.A O no hydrogen 3.131 N/A GLN 642.A NE2 GLN 567.A O no hydrogen 3.059 N/A SER 645.A N VAL 569.A O no hydrogen 2.985 N/A SER 645.A OG CYS 371.A O no hydrogen 2.579 N/A LEU 648.A N TYR 676.A O no hydrogen 3.483 N/A PHE 650.A N ARG 678.A O no hydrogen 2.967 N/A ALA 654.A N PRO 651.A O no hydrogen 3.220 N/A THR 655.A N ASP 658.A OD1 no hydrogen 2.800 N/A ASP 658.A N THR 655.A OG1 no hydrogen 3.183 N/A ILE 659.A N THR 655.A O no hydrogen 3.012 N/A ASN 660.A N THR 656.A O no hydrogen 2.738 N/A LYS 661.A N ARG 657.A O no hydrogen 2.784 N/A ALA 662.A N ASP 658.A O no hydrogen 3.008 N/A GLN 663.A N ILE 659.A O no hydrogen 2.989 N/A ILE 664.A N ASN 660.A O no hydrogen 2.988 N/A TYR 665.A N LYS 661.A O no hydrogen 3.046 N/A TYR 665.A OH ASP 631.A OD2 no hydrogen 2.685 N/A ALA 666.A N ALA 662.A O no hydrogen 2.885 N/A TRP 667.A N GLN 663.A O no hydrogen 2.822 N/A TRP 667.A NE1 ASP 277.A OD2 no hydrogen 2.609 N/A ARG 668.A N ILE 664.A O no hydrogen 2.702 N/A LYS 669.A N TYR 665.A O no hydrogen 2.774 N/A LYS 669.A NZ ASP 631.A OD2 no hydrogen 2.676 N/A GLY 670.A N TRP 667.A O no hydrogen 3.021 N/A LYS 672.A NZ VAL 640.A O no hydrogen 3.196 N/A LYS 672.A NZ GLN 642.A O no hydrogen 3.227 N/A SER 673.A OG SER 372.A O no hydrogen 2.834 N/A LEU 674.A N ILE 349.A O no hydrogen 2.901 N/A TYR 675.A N LEU 646.A O no hydrogen 2.742 N/A ILE 677.A N GLY 345.A O no hydrogen 3.141 N/A ARG 678.A N LEU 648.A O no hydrogen 3.006 N/A GLN 681.A NE2 TYR 622.A OH no hydrogen 3.523 N/A