Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2y3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 ASN 15.A O no hydrogen 3.383 N/A LEU 2.A N GLU 12.A O no hydrogen 3.061 N/A THR 8.A OG1 GLY 7.A O no hydrogen 2.919 N/A TYR 13.A N ASP 10.A O no hydrogen 2.993 N/A LEU 14.A N ASP 10.A O no hydrogen 3.040 N/A ASN 15.A N PHE 11.A O no hydrogen 2.851 N/A ASN 15.A ND2 GLY 43.A O no hydrogen 3.329 N/A GLY 16.A N TYR 13.A O no hydrogen 3.167 N/A LEU 17.A N LEU 14.A O no hydrogen 3.182 N/A TYR 19.A OH ASP 50.A OD2 no hydrogen 2.587 N/A GLU 21.A N SER 18.A OG no hydrogen 3.204 N/A LEU 22.A N SER 18.A O no hydrogen 2.908 N/A THR 23.A N TYR 19.A O no hydrogen 2.890 N/A THR 23.A OG1 TYR 19.A O no hydrogen 2.965 N/A THR 23.A OG1 THR 20.A O no hydrogen 3.306 N/A ASN 24.A N THR 20.A O no hydrogen 3.304 N/A LEU 25.A N GLU 21.A O no hydrogen 3.052 N/A ILE 26.A N LEU 22.A O no hydrogen 3.043 N/A LYS 27.A N THR 23.A O no hydrogen 3.170 N/A ASN 28.A N LEU 25.A O no hydrogen 2.876 N/A ILE 29.A N ILE 26.A O no hydrogen 3.495 N/A LYS 30.A N GLN 33.A OE1 no hydrogen 2.840 N/A GLN 33.A N LYS 30.A O no hydrogen 3.061 N/A GLN 33.A NE2 THR 8.A O no hydrogen 2.807 N/A ILE 34.A N TRP 31.A O no hydrogen 3.396 N/A ASN 35.A N TYR 9.A O no hydrogen 2.823 N/A ASN 39.A N GLY 36.A O no hydrogen 2.856 N/A TYR 40.A OH GLN 45.A OE1 no hydrogen 2.858 N/A SER 41.A N SER 44.A OG no hydrogen 2.632 N/A SER 44.A OG ASN 39.A O no hydrogen 2.730 N/A SER 44.A OG SER 41.A O no hydrogen 3.366 N/A GLN 45.A N SER 41.A O no hydrogen 2.756 N/A LYS 46.A N THR 42.A O no hydrogen 2.922 N/A PHE 47.A N GLY 43.A O no hydrogen 2.974 N/A PHE 48.A N SER 44.A O no hydrogen 2.900 N/A ASN 52.A N ASP 50.A OD1 no hydrogen 3.117 N/A ARG 53.A N ASP 50.A OD1 no hydrogen 3.341 N/A ARG 53.A NE PHE 47.A O no hydrogen 3.280 N/A ARG 53.A NH1 ASN 15.A O no hydrogen 3.305 N/A ARG 53.A NH2 LYS 46.A O no hydrogen 3.511 N/A VAL 54.A N ASP 50.A O no hydrogen 3.149 N/A GLN 55.A N LYS 51.A O no hydrogen 3.254 N/A GLN 55.A NE2 GLN 55.A O no hydrogen 2.988 N/A GLN 55.A NE2 ASN 59.A OD1 no hydrogen 2.740 N/A ALA 56.A N ASN 52.A O no hydrogen 3.009 N/A ILE 57.A N ARG 53.A O no hydrogen 2.890 N/A ILE 58.A N VAL 54.A O no hydrogen 2.789 N/A ASN 59.A N GLN 55.A O no hydrogen 2.915 N/A ALA 60.A N ALA 56.A O no hydrogen 2.985 N/A LEU 61.A N ILE 57.A O no hydrogen 3.075 N/A GLN 62.A N ILE 58.A O no hydrogen 2.906 N/A GLU 63.A N ASN 59.A O no hydrogen 2.962 N/A GLU 63.A N ALA 60.A O no hydrogen 3.189 N/A SER 64.A N ALA 60.A O no hydrogen 3.043 N/A SER 64.A OG ALA 60.A O no hydrogen 3.000 N/A SER 64.A OG LEU 61.A O no hydrogen 2.917 N/A GLY 65.A N LEU 61.A O no hydrogen 2.885 N/A ARG 66.A N GLU 63.A O no hydrogen 3.235 N/A ARG 66.A NE GLU 63.A OE1 no hydrogen 3.355 N/A ARG 66.A NH2 GLU 63.A OE2 no hydrogen 3.386 N/A THR 67.A OG1 GLU 63.A O no hydrogen 3.432 N/A TYR 68.A OH ILE 113.A O no hydrogen 3.158 N/A THR 69.A N ASP 72.A O no hydrogen 2.945 N/A LYS 73.A NZ ASP 72.A OD2 no hydrogen 1.846 N/A THR 77.A OG1 ILE 29.A O no hydrogen 2.740 N/A PHE 78.A N GLY 74.A O no hydrogen 2.842 N/A THR 79.A N ILE 75.A O no hydrogen 3.012 N/A THR 79.A OG1 ILE 75.A O no hydrogen 2.964 N/A THR 79.A OG1 GLU 76.A O no hydrogen 2.605 N/A GLU 80.A N GLU 76.A O no hydrogen 2.942 N/A VAL 81.A N THR 77.A O no hydrogen 2.980 N/A LEU 82.A N PHE 78.A O no hydrogen 3.131 N/A ARG 83.A N THR 79.A O no hydrogen 2.864 N/A ARG 83.A NH2 SER 132.A O no hydrogen 2.524 N/A ALA 84.A N GLU 80.A O no hydrogen 2.922 N/A GLY 85.A N VAL 81.A O no hydrogen 3.088 N/A PHE 86.A N LEU 82.A O no hydrogen 3.061 N/A TYR 87.A N ARG 83.A O no hydrogen 3.006 N/A LEU 88.A N ALA 84.A O no hydrogen 3.057 N/A GLY 89.A N GLY 85.A O no hydrogen 2.970 N/A TYR 90.A N PHE 86.A O no hydrogen 2.880 N/A TYR 91.A N TYR 87.A O no hydrogen 3.269 N/A ASN 92.A N LEU 88.A O no hydrogen 2.786 N/A LEU 95.A N ASN 92.A O no hydrogen 3.418 N/A TYR 97.A OH PHE 48.A O no hydrogen 2.597 N/A LEU 98.A N LEU 95.A O no hydrogen 2.785 N/A ASN 99.A N SER 96.A O no hydrogen 2.969 N/A ARG 101.A NH1 ALA 188.A O no hydrogen 2.844 N/A ASN 102.A N ASP 100.A OD1 no hydrogen 3.095 N/A PHE 103.A N ASP 100.A O no hydrogen 2.937 N/A GLN 104.A N ASP 100.A O no hydrogen 3.150 N/A GLN 104.A NE2 LEU 98.A O no hydrogen 3.092 N/A ASP 105.A N ARG 101.A O no hydrogen 3.029 N/A LYS 106.A N PHE 103.A O no hydrogen 2.943 N/A CYS 107.A N GLN 104.A O no hydrogen 3.059 N/A ILE 108.A N ASP 105.A O no hydrogen 2.989 N/A ALA 112.A N PRO 109.A O no hydrogen 3.077 N/A ILE 113.A N ALA 110.A O no hydrogen 3.072 N/A GLN 114.A NE2 VAL 146.A O no hydrogen 2.897 N/A LYS 115.A N ILE 111.A O no hydrogen 2.753 N/A ASN 116.A N ALA 112.A O no hydrogen 3.237 N/A ASN 116.A ND2 GLY 65.A O no hydrogen 3.186 N/A ASN 116.A ND2 TYR 68.A O no hydrogen 3.000 N/A ASN 118.A N ASN 116.A OD1 no hydrogen 2.667 N/A PHE 119.A N ASN 116.A O no hydrogen 2.876 N/A LYS 120.A N ASN 118.A O no hydrogen 2.841 N/A LEU 121.A N GLN 156.A OE1 no hydrogen 2.992 N/A GLY 122.A N ASP 127.A OD1 no hydrogen 2.788 N/A THR 123.A N GLN 126.A OE1 no hydrogen 3.114 N/A GLN 126.A NE2 ASN 118.A O no hydrogen 3.081 N/A ASP 127.A N THR 123.A O no hydrogen 2.930 N/A GLU 128.A N ALA 124.A O no hydrogen 2.766 N/A VAL 129.A N VAL 125.A O no hydrogen 2.853 N/A ILE 130.A N GLN 126.A O no hydrogen 3.309 N/A THR 131.A N ASP 127.A O no hydrogen 2.965 N/A THR 131.A OG1 ASP 127.A O no hydrogen 2.931 N/A SER 132.A N GLU 128.A O no hydrogen 2.790 N/A SER 132.A OG GLU 128.A O no hydrogen 3.331 N/A LEU 133.A N VAL 129.A O no hydrogen 2.927 N/A GLY 134.A N ILE 130.A O no hydrogen 3.023 N/A LYS 135.A N THR 131.A O no hydrogen 3.267 N/A LEU 136.A N SER 132.A O no hydrogen 3.057 N/A ILE 137.A N LEU 133.A O no hydrogen 3.001 N/A GLY 138.A N GLY 134.A O no hydrogen 3.113 N/A ASN 139.A N LYS 135.A O no hydrogen 3.352 N/A ASN 139.A N LEU 136.A O no hydrogen 3.010 N/A ALA 140.A N LEU 136.A O no hydrogen 2.731 N/A VAL 147.A N ASN 143.A O no hydrogen 2.863 N/A ASN 148.A N ALA 144.A O no hydrogen 3.142 N/A ASN 148.A ND2 LYS 201.A O no hydrogen 2.955 N/A ASN 149.A N VAL 146.A O no hydrogen 3.021 N/A ASN 149.A ND2 GLN 114.A OE1 no hydrogen 2.871 N/A CYS 150.A N VAL 147.A O no hydrogen 2.864 N/A CYS 150.A SG VAL 146.A O no hydrogen 3.624 N/A VAL 151.A N ASN 148.A O no hydrogen 3.051 N/A LEU 154.A N CYS 150.A O no hydrogen 3.127 N/A LYS 155.A N VAL 151.A O no hydrogen 2.994 N/A GLN 156.A N PRO 152.A O no hydrogen 2.791 N/A GLN 156.A NE2 LEU 121.A O no hydrogen 2.684 N/A PHE 157.A N VAL 153.A O no hydrogen 2.989 N/A ARG 158.A N LEU 154.A O no hydrogen 2.815 N/A GLU 159.A N LYS 155.A O no hydrogen 2.821 N/A ASN 160.A N PHE 157.A O no hydrogen 3.097 N/A ASN 160.A ND2 GLN 156.A O no hydrogen 3.476 N/A LEU 161.A N ARG 158.A O no hydrogen 2.966 N/A GLN 163.A N ASN 160.A O no hydrogen 3.123 N/A TYR 164.A N ASN 160.A O no hydrogen 2.852 N/A ALA 165.A N LEU 161.A O no hydrogen 2.946 N/A ASP 167.A N TYR 164.A O no hydrogen 2.861 N/A VAL 169.A N ASP 167.A OD1 no hydrogen 2.627 N/A LYS 170.A N ASP 167.A OD1 no hydrogen 3.261 N/A LYS 170.A NZ GLY 122.A O no hydrogen 3.154 N/A GLY 171.A N ASP 167.A O no hydrogen 2.834 N/A THR 172.A N TYR 168.A O no hydrogen 2.805 N/A THR 172.A OG1 TYR 168.A O no hydrogen 2.830 N/A ALA 173.A N VAL 169.A O no hydrogen 3.108 N/A ALA 173.A N LYS 170.A O no hydrogen 3.229 N/A VAL 174.A N LYS 170.A O no hydrogen 3.424 N/A ASN 175.A N GLY 171.A O no hydrogen 3.150 N/A GLU 176.A N THR 172.A O no hydrogen 2.790 N/A LEU 177.A N ALA 173.A O no hydrogen 3.008 N/A ILE 178.A N VAL 174.A O no hydrogen 3.012 N/A LYS 179.A N ASN 175.A O no hydrogen 2.927 N/A GLY 180.A N GLU 176.A O no hydrogen 2.913 N/A ILE 181.A N LEU 177.A O no hydrogen 3.154 N/A GLU 182.A N ILE 178.A O no hydrogen 2.991 N/A PHE 183.A N LYS 179.A O no hydrogen 2.947 N/A ASP 184.A N GLY 180.A O no hydrogen 3.228 N/A PHE 185.A N ILE 181.A O no hydrogen 3.029 N/A SER 186.A N GLU 182.A O no hydrogen 2.852 N/A SER 186.A OG GLU 182.A O no hydrogen 3.177 N/A SER 186.A OG PHE 183.A O no hydrogen 3.387 N/A GLY 187.A N PHE 183.A O no hydrogen 3.119 N/A ALA 188.A N ASP 184.A O no hydrogen 3.167 N/A ALA 189.A N PHE 185.A O no hydrogen 3.302 N/A ALA 189.A N SER 186.A O no hydrogen 3.203 N/A TYR 190.A N GLY 187.A O no hydrogen 3.340 N/A THR 196.A N ASP 193.A O no hydrogen 2.857 N/A THR 196.A OG1 ASP 193.A O no hydrogen 2.813 N/A THR 196.A OG1 THR 196.A O no hydrogen 2.582 N/A GLY 200.A N TYR 239.A O no hydrogen 2.786 N/A LYS 201.A N TRP 198.A O no hydrogen 2.737 N/A ILE 206.A N ILE 202.A O no hydrogen 2.914 N/A ASN 207.A N ASP 203.A O no hydrogen 2.793 N/A GLU 208.A N PRO 204.A O no hydrogen 3.037 N/A LEU 209.A N PHE 205.A O no hydrogen 3.078 N/A LEU 209.A N ILE 206.A O no hydrogen 2.916 N/A LYS 210.A N ILE 206.A O no hydrogen 2.997 N/A LYS 210.A NZ ASP 245.A OD1 no hydrogen 3.081 N/A LYS 210.A NZ ASP 245.A OD2 no hydrogen 2.630 N/A ALA 211.A N ASN 207.A O no hydrogen 3.368 N/A LEU 212.A N GLU 208.A O no hydrogen 3.432 N/A GLY 213.A N LEU 209.A O no hydrogen 2.828 N/A LEU 214.A N LYS 210.A O no hydrogen 2.746 N/A TYR 215.A N LEU 212.A O no hydrogen 3.336 N/A GLY 216.A N TYR 256.A OH no hydrogen 3.329 N/A ASN 217.A N TYR 215.A O no hydrogen 2.996 N/A ILE 218.A N GLY 216.A O no hydrogen 2.816 N/A THR 219.A N THR 222.A OG1 no hydrogen 3.245 N/A THR 219.A OG1 THR 222.A OG1 no hydrogen 3.284 N/A THR 222.A N THR 219.A OG1 no hydrogen 3.151 N/A THR 222.A OG1 THR 219.A OG1 no hydrogen 3.284 N/A TRP 224.A NE1 ALA 165.A O no hydrogen 2.776 N/A ALA 225.A N THR 222.A O no hydrogen 3.350 N/A SER 226.A OG LEU 212.A O no hydrogen 2.893 N/A ASP 227.A N GLU 223.A O no hydrogen 3.002 N/A VAL 228.A N TRP 224.A O no hydrogen 2.857 N/A GLY 229.A N ALA 225.A O no hydrogen 2.956 N/A ILE 230.A N SER 226.A O no hydrogen 2.969 N/A TYR 231.A N ASP 227.A O no hydrogen 2.964 N/A TYR 232.A N VAL 228.A O no hydrogen 2.813 N/A LEU 233.A N GLY 229.A O no hydrogen 2.748 N/A SER 234.A N ILE 230.A O no hydrogen 3.127 N/A SER 234.A OG ASP 271.A OD2 no hydrogen 2.611 N/A LYS 235.A N TYR 231.A O no hydrogen 3.233 N/A LYS 235.A NZ ASP 271.A OD1 no hydrogen 2.754 N/A LYS 235.A NZ ASP 271.A OD2 no hydrogen 3.321 N/A PHE 236.A N TYR 232.A O no hydrogen 2.871 N/A GLY 237.A N LEU 233.A O no hydrogen 2.789 N/A TYR 239.A N PHE 236.A O no hydrogen 2.847 N/A SER 240.A N GLY 237.A O no hydrogen 3.129 N/A ASN 242.A N SER 240.A OG no hydrogen 3.402 N/A ARG 243.A NH1 ASN 244.A OD1 no hydrogen 2.813 N/A ARG 243.A NH1 GLY 276.A O no hydrogen 3.161 N/A ARG 243.A NH2 TYR 272.A O no hydrogen 3.076 N/A ARG 243.A NH2 ILE 275.A O no hydrogen 2.745 N/A ILE 246.A N ASN 242.A O no hydrogen 3.468 N/A VAL 247.A N ARG 243.A O no hydrogen 3.065 N/A GLN 248.A N ASN 244.A O no hydrogen 2.979 N/A SER 249.A N ASP 245.A O no hydrogen 3.302 N/A LEU 250.A N ILE 246.A O no hydrogen 3.106 N/A GLU 251.A N VAL 247.A O no hydrogen 2.875 N/A LYS 252.A N GLN 248.A O no hydrogen 2.993 N/A ALA 253.A N SER 249.A O no hydrogen 3.088 N/A VAL 254.A N LEU 250.A O no hydrogen 3.218 N/A ASP 255.A N GLU 251.A O no hydrogen 3.291 N/A TYR 256.A OH GLY 213.A O no hydrogen 2.431 N/A LYS 257.A NZ ASP 255.A OD1 no hydrogen 3.463 N/A ALA 262.A N GLY 259.A O no hydrogen 3.213 N/A VAL 264.A N LYS 260.A O no hydrogen 3.092 N/A ALA 265.A N ILE 261.A O no hydrogen 2.888 N/A ARG 267.A N VAL 264.A O no hydrogen 2.764 N/A ARG 267.A NH1 ASP 271.A OD2 no hydrogen 2.951 N/A ILE 268.A N ALA 265.A O no hydrogen 3.105 N/A TRP 270.A N GLU 266.A O no hydrogen 2.841 N/A ASP 271.A N ARG 267.A O no hydrogen 2.897 N/A TYR 272.A N ILE 268.A O no hydrogen 3.063 N/A TYR 272.A OH SER 234.A O no hydrogen 2.961 N/A GLY 274.A N ILE 268.A O no hydrogen 2.875 N/A ILE 275.A N TYR 272.A O no hydrogen 3.270 N/A GLY 276.A N LYS 280.A O no hydrogen 3.243 N/A SER 277.A N GLU 251.A OE2 no hydrogen 3.310 N/A SER 277.A OG GLU 251.A OE1 no hydrogen 2.425 N/A SER 277.A OG GLU 251.A OE2 no hydrogen 3.387 N/A GLY 279.A N GLY 276.A O no hydrogen 3.302 N/A LYS 280.A N ASN 278.A OD1 no hydrogen 3.200 N/A VAL 282.A N GLY 274.A O no hydrogen 3.046 N/A PHE 287.A N ASP 283.A O no hydrogen 3.259 N/A LEU 288.A N HIS 284.A O no hydrogen 3.112 N/A ASP 289.A N ASP 285.A O no hydrogen 3.098 N/A ASP 290.A N LYS 286.A O no hydrogen 2.708 N/A ALA 291.A N PHE 287.A O no hydrogen 2.969 N/A GLU 292.A N LEU 288.A O no hydrogen 2.947 N/A LYS 293.A N ASP 289.A O no hydrogen 3.154 N/A LYS 293.A NZ ASP 289.A OD2 no hydrogen 2.560 N/A HIS 294.A N ASP 290.A O no hydrogen 3.061 N/A HIS 294.A N ALA 291.A O no hydrogen 3.163 N/A TYR 295.A N ALA 291.A O no hydrogen 3.097 N/A TYR 295.A OH TYR 258.A O no hydrogen 2.130 N/A LEU 296.A N GLU 292.A O no hydrogen 2.650 N/A LYS 298.A N ALA 311.A O no hydrogen 2.978 N/A TYR 300.A N ILE 309.A O no hydrogen 2.761 N/A THR 301.A N GLN 592.A OE1 no hydrogen 3.351 N/A PHE 302.A N PHE 307.A O no hydrogen 2.808 N/A ASP 303.A N SER 591.A OG no hydrogen 3.123 N/A ASN 304.A N LYS 590.A O no hydrogen 2.998 N/A THR 306.A N PHE 302.A O no hydrogen 3.190 N/A THR 306.A N ASP 303.A O no hydrogen 3.066 N/A THR 306.A OG1 ASP 303.A O no hydrogen 2.611 N/A PHE 307.A N PHE 302.A O no hydrogen 3.209 N/A ILE 308.A N LEU 353.A O no hydrogen 2.813 N/A ILE 309.A N TYR 300.A O no hydrogen 2.778 N/A ARG 310.A NH2 LEU 296.A O no hydrogen 3.412 N/A ALA 311.A N LYS 298.A O no hydrogen 2.782 N/A GLY 312.A N ILE 356.A O no hydrogen 3.031 N/A LYS 314.A N ASN 358.A OD1 no hydrogen 2.880 N/A VAL 315.A N GLY 312.A O no hydrogen 3.354 N/A LYS 319.A NZ GLU 391.A OE2 no hydrogen 3.081 N/A ILE 320.A N SER 316.A O no hydrogen 3.404 N/A LYS 321.A N GLU 317.A O no hydrogen 3.136 N/A ARG 322.A N GLU 318.A O no hydrogen 2.845 N/A LEU 323.A N LYS 319.A O no hydrogen 2.747 N/A TYR 324.A N ILE 320.A O no hydrogen 3.185 N/A TYR 324.A OH ASP 303.A OD1 no hydrogen 2.831 N/A TYR 324.A OH HIS 661.A NE2 no hydrogen 2.927 N/A TRP 325.A N LYS 321.A O no hydrogen 3.041 N/A ALA 326.A N ARG 322.A O no hydrogen 2.757 N/A SER 327.A N LEU 323.A O no hydrogen 2.888 N/A SER 327.A OG TYR 324.A O no hydrogen 2.443 N/A ARG 328.A N TYR 324.A O no hydrogen 3.225 N/A GLU 329.A N TRP 325.A O no hydrogen 3.197 N/A GLU 329.A N ALA 326.A O no hydrogen 3.182 N/A VAL 330.A N ALA 326.A O no hydrogen 3.166 N/A LYS 331.A N SER 327.A O no hydrogen 3.005 N/A LYS 331.A NZ HIS 335.A NE2 no hydrogen 2.858 N/A SER 332.A N ARG 328.A O no hydrogen 3.172 N/A SER 332.A OG ARG 328.A O no hydrogen 3.537 N/A SER 332.A OG GLU 329.A O no hydrogen 2.955 N/A GLN 333.A N GLU 329.A O no hydrogen 3.295 N/A GLN 333.A NE2 THR 449.A O no hydrogen 3.046 N/A PHE 334.A N VAL 330.A O no hydrogen 2.984 N/A HIS 335.A N LYS 331.A O no hydrogen 3.063 N/A HIS 335.A ND1 ASN 340.A O no hydrogen 2.751 N/A ARG 336.A N SER 332.A O no hydrogen 3.190 N/A ARG 336.A NE ALA 641.A O no hydrogen 3.254 N/A ARG 336.A NH1 ASP 622.A OD1 no hydrogen 2.910 N/A ARG 336.A NH1 ASP 622.A OD2 no hydrogen 3.435 N/A ARG 336.A NH2 ASP 622.A OD1 no hydrogen 3.001 N/A ARG 336.A NH2 ALA 641.A O no hydrogen 3.153 N/A VAL 337.A N GLN 333.A O no hydrogen 3.179 N/A VAL 338.A N PHE 334.A O no hydrogen 2.917 N/A GLY 339.A N HIS 335.A O no hydrogen 2.692 N/A ASN 340.A ND2 LYS 342.A O no hydrogen 2.837 N/A ASN 340.A ND2 TYR 417.A O no hydrogen 3.126 N/A LYS 342.A N ASN 340.A OD1 no hydrogen 3.133 N/A LEU 344.A N ARG 416.A O no hydrogen 3.165 N/A ASN 348.A ND2 GLU 345.A OE1 no hydrogen 2.954 N/A ASP 351.A N ASN 348.A O no hydrogen 3.219 N/A VAL 352.A N ALA 349.A O no hydrogen 3.204 N/A LEU 353.A N THR 306.A O no hydrogen 2.706 N/A THR 354.A N GLY 385.A O no hydrogen 2.996 N/A LYS 355.A NZ GLU 292.A OE1 no hydrogen 3.563 N/A LYS 355.A NZ GLU 292.A OE2 no hydrogen 2.626 N/A ILE 356.A N ARG 310.A O no hydrogen 2.843 N/A PHE 357.A N THR 389.A O no hydrogen 2.975 N/A ASN 358.A ND2 ASP 313.A OD1 no hydrogen 3.213 N/A ASN 358.A ND2 GLU 362.A OE1 no hydrogen 2.789 N/A SER 359.A OG GLU 361.A OE1 no hydrogen 3.374 N/A GLU 361.A N GLU 361.A OE1 no hydrogen 2.903 N/A GLU 362.A N SER 359.A OG no hydrogen 3.135 N/A TYR 363.A N SER 359.A O no hydrogen 2.781 N/A TYR 363.A OH ASN 376.A OD1 no hydrogen 2.656 N/A PHE 365.A N GLU 362.A O no hydrogen 3.317 N/A ASN 366.A N TYR 363.A O no hydrogen 2.942 N/A THR 367.A N LYS 364.A O no hydrogen 3.207 N/A ILE 369.A N PHE 365.A O no hydrogen 2.756 N/A ASN 370.A N ASN 366.A O no hydrogen 2.672 N/A ASN 370.A ND2 GLU 292.A OE2 no hydrogen 2.723 N/A ASN 370.A ND2 ASN 366.A OD1 no hydrogen 2.831 N/A GLY 371.A N THR 367.A O no hydrogen 2.815 N/A ASP 375.A N SER 373.A OG no hydrogen 3.203 N/A ASN 376.A ND2 SER 373.A O no hydrogen 3.162 N/A LEU 379.A N TYR 388.A O no hydrogen 2.783 N/A ILE 381.A N THR 386.A O no hydrogen 2.841 N/A ARG 384.A N ILE 381.A O no hydrogen 3.139 N/A ARG 384.A NH1 ASN 370.A O no hydrogen 3.087 N/A ARG 384.A NH1 TYR 388.A OH no hydrogen 2.816 N/A ARG 384.A NH2 ASN 370.A O no hydrogen 3.417 N/A GLY 385.A N GLU 382.A O no hydrogen 2.931 N/A THR 386.A N ILE 381.A O no hydrogen 3.109 N/A THR 386.A OG1 ARG 384.A O no hydrogen 2.911 N/A PHE 387.A N THR 354.A O no hydrogen 2.739 N/A TYR 388.A N LEU 379.A O no hydrogen 2.878 N/A THR 389.A N LYS 355.A O no hydrogen 2.993 N/A THR 389.A OG1 GLY 377.A O no hydrogen 3.055 N/A TYR 390.A N THR 389.A OG1 no hydrogen 2.723 N/A GLU 391.A N PHE 357.A O no hydrogen 2.780 N/A ARG 392.A N GLU 391.A OE1 no hydrogen 3.010 N/A ARG 392.A NH1 TYR 390.A O no hydrogen 2.072 N/A ARG 392.A NH2 THR 389.A OG1 no hydrogen 3.108 N/A THR 393.A N GLN 396.A OE1 no hydrogen 2.701 N/A THR 393.A OG1 GLN 396.A OE1 no hydrogen 2.935 N/A GLN 396.A N THR 393.A O no hydrogen 2.775 N/A SER 397.A N THR 393.A O no hydrogen 3.114 N/A SER 397.A OG PHE 399.A O no hydrogen 2.885 N/A SER 400.A N GLU 403.A OE2 no hydrogen 3.455 N/A LEU 404.A N SER 400.A O no hydrogen 3.233 N/A PHE 405.A N LEU 401.A O no hydrogen 3.065 N/A ARG 406.A N GLU 402.A O no hydrogen 2.804 N/A ARG 406.A NE ALA 446.A O no hydrogen 2.947 N/A ARG 406.A NH1 GLU 402.A OE2 no hydrogen 2.683 N/A ARG 406.A NH2 GLU 329.A OE1 no hydrogen 3.423 N/A HIS 407.A N GLU 403.A O no hydrogen 3.011 N/A GLU 408.A N LEU 404.A O no hydrogen 2.916 N/A TYR 409.A N PHE 405.A O no hydrogen 2.707 N/A THR 410.A N HIS 407.A O no hydrogen 3.215 N/A THR 410.A OG1 ARG 406.A O no hydrogen 3.084 N/A HIS 411.A N GLU 408.A O no hydrogen 2.806 N/A HIS 411.A ND1 GLN 414.A OE1 no hydrogen 3.086 N/A TYR 412.A N GLU 408.A O no hydrogen 3.358 N/A LEU 413.A N TYR 409.A O no hydrogen 3.037 N/A GLN 414.A N THR 410.A O no hydrogen 2.779 N/A GLN 414.A NE2 ASP 438.A O no hydrogen 3.414 N/A ALA 415.A N HIS 411.A O no hydrogen 3.032 N/A ARG 416.A N TYR 412.A O no hydrogen 3.047 N/A ARG 416.A NE TYR 417.A OH no hydrogen 3.145 N/A ARG 416.A NH1 ASP 350.A OD1 no hydrogen 2.858 N/A ARG 416.A NH1 ASP 351.A OD1 no hydrogen 2.933 N/A ARG 416.A NH2 ASP 351.A OD1 no hydrogen 3.537 N/A TYR 417.A N LEU 413.A O no hydrogen 2.862 N/A LEU 418.A N GLN 414.A O no hydrogen 3.003 N/A VAL 419.A N GLN 414.A O no hydrogen 2.958 N/A TRP 423.A N GLU 382.A OE2 no hydrogen 3.448 N/A GLN 425.A N LEU 422.A O no hydrogen 3.154 N/A TYR 429.A N GLY 426.A O no hydrogen 2.673 N/A TYR 429.A OH ASP 438.A OD2 no hydrogen 2.659 N/A GLU 430.A N PRO 427.A O no hydrogen 3.293 N/A ARG 433.A N LYS 431.A O no hydrogen 3.055 N/A ARG 433.A NE ASP 520.A OD1 no hydrogen 2.896 N/A ARG 433.A NE ASP 520.A OD2 no hydrogen 3.117 N/A ARG 433.A NH2 ASP 520.A OD2 no hydrogen 3.012 N/A THR 435.A OG1 ASN 432.A OD1 no hydrogen 2.324 N/A ASP 438.A N LEU 434.A O no hydrogen 2.658 N/A GLU 439.A N THR 435.A O no hydrogen 3.412 N/A GLY 440.A N TRP 436.A O no hydrogen 2.667 N/A THR 441.A N PHE 437.A O no hydrogen 2.730 N/A THR 441.A OG1 PHE 437.A O no hydrogen 2.710 N/A ALA 442.A N ASP 438.A O no hydrogen 3.421 N/A GLU 443.A N GLU 439.A O no hydrogen 3.174 N/A PHE 444.A N GLY 440.A O no hydrogen 3.108 N/A PHE 445.A N THR 441.A O no hydrogen 2.728 N/A ALA 446.A N ALA 442.A O no hydrogen 3.128 N/A GLY 447.A N PHE 444.A O no hydrogen 2.896 N/A SER 448.A N PHE 445.A O no hydrogen 3.044 N/A SER 448.A OG PHE 445.A O no hydrogen 2.495 N/A THR 449.A N GLY 453.A O no hydrogen 2.999 N/A THR 449.A OG1 GLY 453.A O no hydrogen 2.845 N/A ARG 450.A NH1 LEU 639.A O no hydrogen 2.823 N/A SER 452.A N THR 449.A OG1 no hydrogen 2.964 N/A VAL 454.A N TYR 499.A OH no hydrogen 3.232 N/A LEU 455.A N GLY 447.A O no hydrogen 2.992 N/A ARG 457.A NH2 GLU 443.A OE1 no hydrogen 3.478 N/A LYS 458.A N GLY 551.A O no hydrogen 3.194 N/A LEU 461.A N ARG 457.A O no hydrogen 3.064 N/A GLY 462.A N LYS 458.A O no hydrogen 2.801 N/A TYR 463.A N LEU 459.A O no hydrogen 3.131 N/A LEU 464.A N ILE 460.A O no hydrogen 3.183 N/A ALA 465.A N GLY 462.A O no hydrogen 3.011 N/A LYS 466.A N LEU 464.A O no hydrogen 2.854 N/A LYS 466.A NZ HIS 471.A O no hydrogen 3.085 N/A HIS 471.A ND1 VAL 469.A O no hydrogen 2.862 N/A ARG 472.A NH1 GLN 541.A OE1 no hydrogen 3.288 N/A ARG 472.A NH2 GLN 541.A OE1 no hydrogen 2.678 N/A TYR 473.A OH ASP 485.A OD1 no hydrogen 2.251 N/A LEU 475.A N ASN 533.A OD1 no hydrogen 2.863 N/A LYS 477.A N SER 474.A OG no hydrogen 3.057 N/A THR 478.A N SER 474.A O no hydrogen 3.181 N/A THR 478.A OG1 SER 474.A O no hydrogen 2.722 N/A LEU 479.A N LEU 475.A O no hydrogen 3.102 N/A ASN 480.A N LYS 477.A O no hydrogen 3.042 N/A SER 484.A OG ASP 483.A O no hydrogen 2.997 N/A GLY 491.A N PHE 487.A O no hydrogen 2.998 N/A PHE 492.A N TYR 488.A O no hydrogen 2.946 N/A ALA 493.A N ASN 489.A O no hydrogen 3.315 N/A VAL 494.A N TYR 490.A O no hydrogen 2.917 N/A ALA 495.A N GLY 491.A O no hydrogen 3.040 N/A HIS 496.A N PHE 492.A O no hydrogen 2.712 N/A HIS 496.A ND1 HIS 539.A NE2 no hydrogen 3.052 N/A TYR 497.A N ALA 493.A O no hydrogen 2.701 N/A TYR 497.A OH GLU 535.A OE1 no hydrogen 2.677 N/A LEU 498.A N VAL 494.A O no hydrogen 2.818 N/A TYR 499.A N ALA 495.A O no hydrogen 3.015 N/A GLU 500.A N HIS 496.A O no hydrogen 2.853 N/A LYS 501.A N TYR 497.A O no hydrogen 2.749 N/A LYS 501.A NZ HIS 539.A ND1 no hydrogen 3.208 N/A LYS 501.A NZ GLU 542.A OE1 no hydrogen 2.781 N/A ASP 502.A N LEU 498.A O no hydrogen 3.034 N/A THR 504.A N ASP 502.A O no hydrogen 3.021 N/A THR 504.A OG1 ASP 502.A OD1 no hydrogen 3.163 N/A THR 504.A OG1 ASP 502.A OD2 no hydrogen 2.764 N/A PHE 505.A N ASP 502.A O no hydrogen 3.280 N/A LYS 507.A N PRO 503.A O no hydrogen 3.104 N/A ASN 508.A ND2 PHE 505.A O no hydrogen 2.542 N/A LYS 509.A N ILE 506.A O no hydrogen 2.889 N/A LYS 509.A NZ GLU 611.A OE1 no hydrogen 3.317 N/A LYS 509.A NZ GLU 611.A OE2 no hydrogen 3.188 N/A ALA 510.A N LYS 507.A O no hydrogen 3.099 N/A LEU 512.A N ASN 508.A O no hydrogen 2.911 N/A ASN 513.A N LYS 509.A O no hydrogen 2.779 N/A THR 514.A N ILE 511.A O no hydrogen 2.979 N/A ASP 515.A N ALA 510.A O no hydrogen 2.794 N/A SER 518.A N ASP 515.A OD2 no hydrogen 2.682 N/A SER 518.A OG ASP 515.A OD2 no hydrogen 2.595 N/A TYR 519.A N ASP 515.A O no hydrogen 3.278 N/A TYR 519.A OH ARG 433.A O no hydrogen 2.715 N/A ASP 520.A N VAL 516.A O no hydrogen 3.065 N/A GLU 521.A N LYS 517.A O no hydrogen 3.025 N/A ILE 522.A N SER 518.A O no hydrogen 3.050 N/A ILE 523.A N TYR 519.A O no hydrogen 2.986 N/A LYS 524.A N ASP 520.A O no hydrogen 2.975 N/A LYS 524.A NZ ASP 528.A OD2 no hydrogen 2.847 N/A LYS 525.A N GLU 521.A O no hydrogen 2.962 N/A LEU 526.A N ILE 522.A O no hydrogen 3.072 N/A SER 527.A N ILE 523.A O no hydrogen 2.896 N/A SER 527.A OG ASN 480.A OD1 no hydrogen 2.987 N/A SER 527.A OG ILE 523.A O no hydrogen 2.991 N/A ASP 528.A N LYS 524.A O no hydrogen 2.772 N/A ASP 529.A N LYS 525.A O no hydrogen 2.960 N/A ASN 531.A N ASP 529.A OD1 no hydrogen 3.230 N/A THR 534.A N ALA 530.A O no hydrogen 3.199 N/A THR 534.A OG1 ALA 530.A O no hydrogen 3.269 N/A THR 534.A OG1 ASN 531.A O no hydrogen 2.498 N/A GLU 535.A N ASN 531.A O no hydrogen 3.076 N/A TYR 536.A N LYS 532.A O no hydrogen 2.971 N/A TYR 536.A OH TYR 490.A O no hydrogen 3.048 N/A GLN 537.A N ASN 533.A O no hydrogen 2.810 N/A GLN 537.A NE2 TYR 473.A O no hydrogen 2.808 N/A GLN 537.A NE2 ASN 533.A OD1 no hydrogen 3.508 N/A ASN 538.A N THR 534.A O no hydrogen 3.196 N/A ASN 538.A N GLU 535.A O no hydrogen 3.153 N/A HIS 539.A N GLU 535.A O no hydrogen 2.849 N/A HIS 539.A NE2 HIS 496.A ND1 no hydrogen 3.052 N/A ILE 540.A N TYR 536.A O no hydrogen 2.933 N/A GLN 541.A N GLN 537.A O no hydrogen 3.459 N/A GLU 542.A N ASN 538.A O no hydrogen 2.808 N/A LEU 543.A N HIS 539.A O no hydrogen 3.009 N/A VAL 544.A N ILE 540.A O no hydrogen 2.943 N/A ASP 545.A N GLN 541.A O no hydrogen 2.882 N/A LYS 546.A N GLU 542.A O no hydrogen 2.968 N/A TYR 547.A N VAL 544.A O no hydrogen 3.392 N/A ALA 550.A N TYR 547.A O no hydrogen 3.295 N/A VAL 555.A N GLU 402.A OE2 no hydrogen 3.000 N/A ASP 558.A N SER 556.A OG no hydrogen 3.309 N/A TYR 559.A N SER 556.A O no hydrogen 3.265 N/A TYR 559.A OH GLU 329.A OE2 no hydrogen 2.825 N/A LEU 560.A N ASP 557.A O no hydrogen 2.973 N/A LYS 561.A N ASP 558.A O no hydrogen 3.297 N/A HIS 563.A NE2 ASP 558.A O no hydrogen 3.110 N/A LYS 566.A NZ GLU 570.A OE1 no hydrogen 3.220 N/A ALA 568.A N ASP 666.A OD2 no hydrogen 3.173 N/A GLU 570.A N LYS 567.A O no hydrogen 3.127 N/A TYR 572.A N ALA 568.A O no hydrogen 3.173 N/A SER 573.A N SER 569.A O no hydrogen 3.039 N/A SER 573.A OG SER 569.A O no hydrogen 2.727 N/A GLU 574.A N GLU 570.A O no hydrogen 2.747 N/A ILE 575.A N VAL 571.A O no hydrogen 2.847 N/A SER 576.A N TYR 572.A O no hydrogen 2.760 N/A SER 576.A OG TYR 572.A O no hydrogen 2.958 N/A LYS 577.A N SER 573.A O no hydrogen 3.003 N/A ALA 578.A N GLU 574.A O no hydrogen 3.211 N/A ALA 579.A N ILE 575.A O no hydrogen 3.037 N/A SER 580.A N LYS 577.A O no hydrogen 3.078 N/A LEU 581.A N SER 576.A O no hydrogen 2.950 N/A THR 582.A N THR 602.A O no hydrogen 2.803 N/A SER 585.A N ARG 600.A O no hydrogen 2.775 N/A THR 587.A N THR 598.A O no hydrogen 2.995 N/A GLU 589.A N THR 596.A O no hydrogen 2.633 N/A LYS 590.A N ASN 304.A OD1 no hydrogen 2.860 N/A SER 591.A N PHE 594.A O no hydrogen 2.951 N/A GLN 592.A N THR 301.A O no hydrogen 2.853 N/A THR 596.A N GLU 589.A O no hydrogen 2.943 N/A PHE 597.A N GLY 662.A O no hydrogen 2.989 N/A THR 598.A N THR 587.A O no hydrogen 2.698 N/A THR 598.A OG1 HIS 661.A ND1 no hydrogen 3.094 N/A LEU 599.A N PHE 660.A O no hydrogen 2.794 N/A ARG 600.A N SER 585.A O no hydrogen 2.815 N/A ARG 600.A NH1 ASP 341.A OD2 no hydrogen 3.133 N/A GLY 601.A N VAL 658.A O no hydrogen 3.058 N/A THR 602.A N THR 582.A O no hydrogen 2.799 N/A TYR 603.A N TYR 656.A O no hydrogen 2.779 N/A GLY 605.A N VAL 654.A O no hydrogen 2.762 N/A SER 608.A N ASN 652.A O no hydrogen 2.774 N/A SER 608.A OG ASP 614.A OD2 no hydrogen 2.730 N/A SER 608.A OG TYR 646.A OH no hydrogen 3.289 N/A LYS 609.A N ASP 614.A OD1 no hydrogen 2.977 N/A LYS 609.A NZ GLU 617.A OE2 no hydrogen 3.411 N/A GLY 610.A N SER 608.A OG no hydrogen 3.278 N/A ASP 614.A N GLY 610.A O no hydrogen 2.839 N/A TRP 615.A N GLU 611.A O no hydrogen 2.941 N/A TRP 615.A NE1 ARG 336.A O no hydrogen 3.007 N/A ASP 616.A N PHE 612.A O no hydrogen 3.141 N/A GLU 617.A N LYS 613.A O no hydrogen 3.067 N/A SER 618.A OG TRP 615.A O no hydrogen 3.393 N/A LYS 619.A N ASP 616.A O no hydrogen 3.076 N/A LYS 619.A NZ ASP 616.A OD2 no hydrogen 2.720 N/A LYS 620.A N GLU 617.A O no hydrogen 2.677 N/A LYS 620.A NZ ALA 578.A O no hydrogen 3.317 N/A ASP 622.A N SER 618.A O no hydrogen 2.858 N/A GLY 623.A N LYS 619.A O no hydrogen 2.976 N/A THR 624.A N LYS 620.A O no hydrogen 3.173 N/A THR 624.A OG1 ALA 578.A O no hydrogen 3.527 N/A THR 624.A OG1 LYS 620.A O no hydrogen 2.995 N/A LEU 625.A N LEU 621.A O no hydrogen 3.035 N/A GLU 626.A N ASP 622.A O no hydrogen 3.030 N/A SER 627.A N GLY 623.A O no hydrogen 3.023 N/A SER 627.A OG THR 624.A O no hydrogen 3.444 N/A LEU 628.A N THR 624.A O no hydrogen 2.946 N/A LYS 630.A N SER 627.A O no hydrogen 2.956 N/A ASN 631.A N LEU 628.A O no hydrogen 3.184 N/A TRP 633.A NE1 GLY 564.A O no hydrogen 3.084 N/A TYR 636.A N TRP 633.A O no hydrogen 3.358 N/A LYS 637.A N SER 634.A O no hydrogen 3.193 N/A THR 638.A N GLY 635.A O no hydrogen 3.032 N/A THR 638.A OG1 GLY 635.A O no hydrogen 2.623 N/A LEU 639.A N TYR 636.A O no hydrogen 3.153 N/A THR 640.A N HIS 661.A O no hydrogen 2.762 N/A TYR 642.A N VAL 659.A O no hydrogen 2.948 N/A TYR 642.A OH ASP 341.A OD2 no hydrogen 3.103 N/A THR 644.A N ASP 657.A O no hydrogen 2.804 N/A ASN 645.A N GLY 339.A O no hydrogen 3.074 N/A TYR 646.A OH ASP 614.A OD2 no hydrogen 2.683 N/A ARG 647.A N GLN 655.A O no hydrogen 3.008 N/A ARG 647.A NE GLN 655.A OE1 no hydrogen 2.965 N/A ARG 647.A NH1 ASN 645.A O no hydrogen 3.047 N/A ARG 647.A NH2 GLN 655.A OE1 no hydrogen 3.175 N/A THR 649.A N LYS 653.A O no hydrogen 2.846 N/A THR 649.A OG1 LYS 653.A O no hydrogen 3.361 N/A ASN 652.A N THR 649.A O no hydrogen 2.625 N/A LYS 653.A N THR 649.A OG1 no hydrogen 2.757 N/A VAL 654.A N GLU 606.A O no hydrogen 2.915 N/A GLN 655.A N ARG 647.A O no hydrogen 2.879 N/A TYR 656.A N TYR 603.A O no hydrogen 2.693 N/A ASP 657.A N THR 644.A O no hydrogen 2.972 N/A VAL 658.A N GLY 601.A O no hydrogen 2.825 N/A VAL 659.A N TYR 642.A O no hydrogen 2.884 N/A PHE 660.A N LEU 599.A O no hydrogen 2.904 N/A HIS 661.A N THR 640.A O no hydrogen 2.710 N/A HIS 661.A ND1 THR 598.A OG1 no hydrogen 3.094 N/A HIS 661.A NE2 TYR 324.A OH no hydrogen 2.927 N/A GLY 662.A N PHE 597.A O no hydrogen 3.380 N/A VAL 663.A N THR 638.A OG1 no hydrogen 2.943 N/A LEU 664.A N ASN 595.A O no hydrogen 2.857 N/A THR 665.A OG1 GLY 564.A O no hydrogen 2.881 N/A