Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ce2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 ASP 348.A OD1 no hydrogen 3.414 N/A ARG 5.A NH1 ASP 348.A OD2 no hydrogen 2.781 N/A ARG 5.A NH1 ASN 352.A OD1 no hydrogen 3.108 N/A ARG 5.A NH2 ASP 348.A OD1 no hydrogen 2.883 N/A GLU 7.A N PRO 4.A O no hydrogen 3.028 N/A ILE 8.A N ARG 5.A O no hydrogen 2.909 N/A ASP 12.A N SER 9.A O no hydrogen 2.830 N/A CYS 13.A N PRO 10.A O no hydrogen 3.185 N/A CYS 13.A SG SER 9.A O no hydrogen 3.621 N/A TRP 14.A N ASP 348.A OD1 no hydrogen 3.073 N/A TRP 14.A NE1 GLN 83.A OE1 no hydrogen 2.648 N/A ASP 15.A N GLY 345.A O no hydrogen 3.007 N/A THR 17.A N ASP 15.A OD1 no hydrogen 2.948 N/A THR 17.A OG1 ASP 15.A OD1 no hydrogen 2.297 N/A LEU 19.A N ILE 16.A O no hydrogen 3.105 N/A TYR 20.A OH ASP 29.A OD2 no hydrogen 2.837 N/A ARG 23.A NE ASP 93.A OD1 no hydrogen 3.005 N/A ARG 23.A NE ASP 93.A OD2 no hydrogen 2.979 N/A ARG 23.A NH2 ASP 93.A OD1 no hydrogen 3.009 N/A ALA 25.A N ASN 22.A OD1 no hydrogen 3.071 N/A TRP 26.A N ASN 22.A O no hydrogen 3.236 N/A TRP 26.A NE1 LEU 73.A O no hydrogen 3.035 N/A LYS 27.A N ARG 23.A O no hydrogen 2.652 N/A ALA 28.A N LYS 24.A O no hydrogen 2.608 N/A ASP 29.A N ALA 25.A O no hydrogen 2.670 N/A LEU 30.A N TRP 26.A O no hydrogen 2.843 N/A ASP 31.A N LYS 27.A O no hydrogen 2.955 N/A SER 32.A N ALA 28.A O no hydrogen 3.328 N/A SER 32.A OG ASP 29.A O no hydrogen 2.450 N/A GLY 34.A N ASP 31.A O no hydrogen 2.581 N/A THR 39.A N GLU 107.A OE2 no hydrogen 2.795 N/A THR 39.A OG1 GLU 107.A OE2 no hydrogen 3.329 N/A TRP 40.A N GLU 107.A OE1 no hydrogen 2.601 N/A GLN 44.A N PRO 41.A O no hydrogen 2.931 N/A THR 46.A OG1 GLN 47.A OE1 no hydrogen 3.505 N/A GLN 47.A N GLN 44.A O no hydrogen 2.808 N/A TYR 48.A N ALA 45.A O no hydrogen 3.059 N/A TYR 48.A OH ALA 42.A O no hydrogen 2.881 N/A GLN 49.A N SER 55.A OG no hydrogen 3.198 N/A ASN 52.A N GLN 49.A O no hydrogen 3.065 N/A SER 53.A OG HIS 126.A ND1 no hydrogen 2.850 N/A GLU 54.A N ASN 52.A OD1 no hydrogen 2.796 N/A SER 55.A N ASN 52.A O no hydrogen 2.814 N/A SER 55.A N ASN 52.A OD1 no hydrogen 3.117 N/A LEU 56.A N ASN 52.A O no hydrogen 3.186 N/A LEU 57.A N SER 53.A O no hydrogen 2.981 N/A SER 58.A N GLU 54.A O no hydrogen 3.106 N/A LEU 59.A N SER 55.A O no hydrogen 2.825 N/A LEU 60.A N LEU 56.A O no hydrogen 2.960 N/A THR 61.A N LEU 57.A O no hydrogen 2.932 N/A THR 61.A OG1 LEU 57.A O no hydrogen 2.878 N/A THR 62.A N SER 58.A O no hydrogen 3.060 N/A THR 62.A N LEU 59.A O no hydrogen 3.008 N/A THR 62.A OG1 SER 58.A O no hydrogen 3.064 N/A LEU 63.A N LEU 59.A O no hydrogen 2.843 N/A PHE 64.A N LEU 60.A O no hydrogen 2.817 N/A ILE 66.A N THR 62.A O no hydrogen 3.244 N/A GLU 67.A N LEU 63.A O no hydrogen 2.896 N/A ARG 68.A N PHE 64.A O no hydrogen 3.035 N/A ARG 68.A NE ASP 366.A OD1 no hydrogen 3.387 N/A ARG 68.A NE ASP 366.A OD2 no hydrogen 2.984 N/A ARG 68.A NH2 ASP 366.A OD1 no hydrogen 2.691 N/A LYS 69.A N SER 65.A O no hydrogen 3.312 N/A LYS 69.A NZ ASP 29.A OD1 no hydrogen 3.254 N/A LYS 69.A NZ ASP 29.A OD2 no hydrogen 3.389 N/A LYS 69.A NZ SER 32.A OG no hydrogen 3.145 N/A LEU 70.A N ILE 66.A O no hydrogen 2.877 N/A ASN 71.A N GLU 67.A O no hydrogen 2.982 N/A LYS 72.A N ARG 68.A O no hydrogen 3.100 N/A LYS 72.A NZ LEU 19.A O no hydrogen 3.198 N/A LEU 73.A N LYS 69.A O no hydrogen 2.955 N/A TYR 74.A N LEU 70.A O no hydrogen 2.733 N/A VAL 75.A N ASN 71.A O no hydrogen 2.869 N/A TYR 76.A N LYS 72.A O no hydrogen 3.122 N/A ALA 77.A N LEU 73.A O no hydrogen 3.084 N/A HIS 78.A N TYR 74.A O no hydrogen 2.809 N/A LEU 79.A N VAL 75.A O no hydrogen 2.882 N/A THR 80.A N TYR 76.A O no hydrogen 3.116 N/A THR 80.A OG1 TYR 76.A O no hydrogen 2.937 N/A HIS 81.A N ALA 77.A O no hydrogen 2.865 N/A ASP 82.A N HIS 78.A O no hydrogen 3.065 N/A ASP 82.A N LEU 79.A O no hydrogen 3.245 N/A GLN 83.A N THR 80.A O no hydrogen 3.114 N/A ASP 84.A N HIS 81.A O no hydrogen 3.271 N/A ILE 85.A N ASN 354.A O no hydrogen 2.640 N/A THR 86.A N ASP 84.A OD1 no hydrogen 3.341 N/A THR 86.A OG1 ASP 84.A OD1 no hydrogen 3.174 N/A ASN 87.A N ASP 84.A O no hydrogen 3.264 N/A GLY 90.A N ASN 87.A OD1 no hydrogen 2.874 N/A ILE 91.A N ASN 87.A O no hydrogen 3.004 N/A ALA 92.A N GLN 88.A O no hydrogen 3.044 N/A ASP 93.A N GLU 89.A O no hydrogen 2.895 N/A LEU 94.A N GLY 90.A O no hydrogen 3.247 N/A LYS 95.A N ILE 91.A O no hydrogen 3.185 N/A SER 96.A N ALA 92.A O no hydrogen 3.026 N/A SER 96.A N ASP 93.A O no hydrogen 2.968 N/A SER 96.A OG ALA 92.A O no hydrogen 3.005 N/A ILE 97.A N ASP 93.A O no hydrogen 3.230 N/A THR 98.A N LEU 94.A O no hydrogen 2.923 N/A THR 98.A OG1 LEU 94.A O no hydrogen 2.635 N/A HIS 99.A N LYS 95.A O no hydrogen 2.988 N/A LEU 100.A N SER 96.A O no hydrogen 2.795 N/A HIS 101.A N ILE 97.A O no hydrogen 2.844 N/A HIS 101.A ND1 ILE 97.A O no hydrogen 3.122 N/A HIS 101.A NE2 ASN 71.A OD1 no hydrogen 3.359 N/A THR 102.A N THR 98.A O no hydrogen 3.123 N/A THR 102.A OG1 THR 98.A O no hydrogen 3.133 N/A LEU 103.A N HIS 99.A O no hydrogen 3.015 N/A PHE 104.A N LEU 100.A O no hydrogen 2.924 N/A ALA 105.A N HIS 101.A O no hydrogen 2.897 N/A GLU 106.A N THR 102.A O no hydrogen 2.957 N/A GLU 107.A N LEU 103.A O no hydrogen 2.657 N/A THR 108.A N PHE 104.A O no hydrogen 2.878 N/A THR 108.A OG1 PHE 104.A O no hydrogen 2.951 N/A SER 109.A N GLU 106.A O no hydrogen 3.115 N/A SER 109.A OG GLU 106.A O no hydrogen 2.673 N/A TRP 110.A NE1 LEU 43.A O no hydrogen 2.852 N/A VAL 111.A N THR 108.A O no hydrogen 3.195 N/A ALA 114.A N TRP 110.A O no hydrogen 3.108 N/A LEU 115.A N VAL 111.A O no hydrogen 3.084 N/A THR 116.A N GLN 112.A O no hydrogen 3.025 N/A THR 116.A OG1 GLN 112.A O no hydrogen 3.269 N/A THR 116.A OG1 PRO 113.A O no hydrogen 3.329 N/A SER 117.A N PRO 113.A O no hydrogen 3.180 N/A SER 117.A OG PRO 113.A O no hydrogen 2.912 N/A SER 117.A OG ALA 114.A O no hydrogen 3.242 N/A LEU 118.A N LEU 115.A O no hydrogen 3.089 N/A LEU 122.A N SER 119.A OG no hydrogen 2.982 N/A ILE 123.A N SER 119.A O no hydrogen 3.036 N/A ALA 124.A N GLU 120.A O no hydrogen 2.903 N/A GLN 125.A N SER 121.A O no hydrogen 2.866 N/A GLN 125.A NE2 ASP 51.A O no hydrogen 3.357 N/A GLN 125.A NE2 SER 53.A OG no hydrogen 3.300 N/A HIS 126.A N LEU 122.A O no hydrogen 2.939 N/A HIS 126.A ND1 SER 53.A OG no hydrogen 2.850 N/A HIS 126.A NE2 LEU 50.A O no hydrogen 2.829 N/A LEU 127.A N ILE 123.A O no hydrogen 2.939 N/A SER 128.A OG ALA 124.A O no hydrogen 3.296 N/A ALA 129.A N HIS 126.A O no hydrogen 3.289 N/A CYS 131.A SG SER 53.A O no hydrogen 3.975 N/A ALA 133.A N PRO 130.A O no hydrogen 3.170 N/A TYR 135.A N LEU 132.A O no hydrogen 2.921 N/A ARG 136.A NE LEU 127.A O no hydrogen 2.907 N/A LEU 139.A N TYR 135.A O no hydrogen 3.059 N/A GLU 140.A N ARG 136.A O no hydrogen 2.636 N/A LYS 141.A N PHE 137.A O no hydrogen 2.782 N/A PHE 143.A N LEU 139.A O no hydrogen 2.823 N/A ARG 144.A N GLU 140.A O no hydrogen 2.983 N/A ARG 144.A NH1 TYR 259.A O no hydrogen 3.100 N/A ARG 144.A NH2 TYR 259.A O no hydrogen 3.113 N/A LEU 145.A N ILE 142.A O no hydrogen 3.291 N/A SER 146.A N PHE 143.A O no hydrogen 3.160 N/A SER 146.A OG PHE 143.A O no hydrogen 2.845 N/A HIS 148.A N LEU 145.A O no hydrogen 3.097 N/A HIS 148.A ND1 LYS 248.A O no hydrogen 2.911 N/A THR 149.A N SER 146.A O no hydrogen 3.207 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.675 N/A GLY 150.A N GLU 155.A OE2 no hydrogen 2.855 N/A THR 151.A N GLU 154.A OE1 no hydrogen 2.637 N/A THR 151.A OG1 GLU 154.A OE1 no hydrogen 3.337 N/A GLU 154.A N THR 151.A OG1 no hydrogen 3.189 N/A GLU 155.A N THR 151.A O no hydrogen 2.848 N/A LYS 156.A N PRO 152.A O no hydrogen 2.826 N/A ILE 157.A N GLY 153.A O no hydrogen 3.247 N/A ILE 157.A N GLU 154.A O no hydrogen 3.183 N/A LEU 158.A N GLU 154.A O no hydrogen 3.357 N/A ALA 159.A N GLU 155.A O no hydrogen 3.033 N/A SER 160.A N ILE 157.A O no hydrogen 2.782 N/A ALA 161.A N ILE 157.A O no hydrogen 3.004 N/A ALA 161.A N LEU 158.A O no hydrogen 3.184 N/A LEU 165.A N ALA 161.A O no hydrogen 3.021 N/A GLU 166.A N THR 163.A O no hydrogen 3.044 N/A VAL 167.A N PRO 164.A O no hydrogen 3.344 N/A LYS 170.A N GLU 166.A O no hydrogen 3.149 N/A ALA 171.A N VAL 167.A O no hydrogen 2.995 N/A PHE 172.A N ALA 168.A O no hydrogen 3.025 N/A SER 173.A N SER 169.A O no hydrogen 3.110 N/A SER 173.A OG SER 169.A O no hydrogen 3.145 N/A SER 174.A N LYS 170.A O no hydrogen 3.074 N/A SER 174.A OG LYS 170.A O no hydrogen 3.081 N/A SER 174.A OG ALA 171.A O no hydrogen 3.049 N/A LEU 175.A N ALA 171.A O no hydrogen 3.010 N/A SER 176.A N PHE 172.A O no hydrogen 2.861 N/A SER 176.A OG TYR 223.A OH no hydrogen 2.760 N/A ASP 177.A N SER 173.A O no hydrogen 2.782 N/A SER 178.A N SER 174.A O no hydrogen 3.123 N/A GLU 179.A N SER 174.A O no hydrogen 2.816 N/A ILE 180.A N LEU 175.A O no hydrogen 3.089 N/A ALA 185.A N HIS 193.A O no hydrogen 2.786 N/A THR 186.A N THR 214.A OG1 no hydrogen 2.727 N/A ASP 187.A N ASN 191.A O no hydrogen 3.091 N/A SER 188.A N ASP 208.A OD2 no hydrogen 2.785 N/A SER 188.A OG ASP 208.A OD1 no hydrogen 3.054 N/A SER 188.A OG ASP 208.A OD2 no hydrogen 3.328 N/A GLY 190.A N ASP 187.A OD1 no hydrogen 2.813 N/A ASN 191.A N ASP 187.A OD1 no hydrogen 2.870 N/A HIS 193.A N ALA 185.A O no hydrogen 2.861 N/A HIS 193.A ND1 ASN 191.A O no hydrogen 3.008 N/A LEU 195.A N GLY 183.A O no hydrogen 3.257 N/A HIS 197.A NE2 TYR 223.A OH no hydrogen 3.062 N/A LEU 199.A N SER 196.A OG no hydrogen 2.928 N/A ALA 200.A N SER 196.A O no hydrogen 2.749 N/A SER 201.A N HIS 197.A O no hydrogen 3.134 N/A SER 201.A OG HIS 197.A O no hydrogen 3.130 N/A LEU 202.A N ALA 198.A O no hydrogen 3.188 N/A TYR 203.A N LEU 199.A O no hydrogen 2.769 N/A TYR 203.A OH PRO 194.A O no hydrogen 3.259 N/A MET 204.A N ALA 200.A O no hydrogen 3.063 N/A GLN 205.A N LEU 202.A O no hydrogen 3.020 N/A SER 206.A N TYR 203.A O no hydrogen 2.864 N/A ASP 208.A N SER 206.A OG no hydrogen 2.967 N/A ARG 209.A NE ASP 302.A OD1 no hydrogen 3.021 N/A ARG 209.A NH2 ASP 297.A OD1 no hydrogen 3.553 N/A ARG 209.A NH2 ASP 302.A OD2 no hydrogen 2.896 N/A GLU 210.A N ASP 208.A OD1 no hydrogen 2.810 N/A LEU 211.A N ASP 208.A OD1 no hydrogen 3.357 N/A ARG 212.A N ASP 208.A O no hydrogen 3.150 N/A ARG 212.A NE TYR 301.A O no hydrogen 2.884 N/A ARG 212.A NH1 SER 206.A O no hydrogen 3.014 N/A ARG 212.A NH2 ASP 302.A OD1 no hydrogen 2.842 N/A LYS 213.A N ARG 209.A O no hydrogen 2.842 N/A THR 214.A N GLU 210.A O no hydrogen 2.875 N/A THR 214.A OG1 THR 186.A O no hydrogen 3.090 N/A THR 214.A OG1 GLU 210.A O no hydrogen 2.852 N/A SER 215.A N LEU 211.A O no hydrogen 3.026 N/A TYR 216.A N ARG 212.A O no hydrogen 3.026 N/A TYR 216.A OH SER 504.A OG no hydrogen 2.610 N/A TYR 216.A OH GLU 507.A OE2 no hydrogen 3.092 N/A LEU 217.A N LYS 213.A O no hydrogen 2.933 N/A ALA 218.A N THR 214.A O no hydrogen 2.936 N/A GLN 219.A N SER 215.A O no hydrogen 2.929 N/A CYS 220.A N TYR 216.A O no hydrogen 3.029 N/A CYS 220.A SG TYR 216.A O no hydrogen 3.634 N/A CYS 220.A SG LEU 503.A O no hydrogen 3.663 N/A GLU 221.A N LEU 217.A O no hydrogen 3.064 N/A ARG 222.A N ALA 218.A O no hydrogen 2.976 N/A ARG 222.A NH2 SER 176.A O no hydrogen 2.217 N/A ARG 222.A NH2 TYR 223.A OH no hydrogen 3.192 N/A TYR 223.A N GLN 219.A O no hydrogen 3.417 N/A TYR 223.A OH SER 176.A OG no hydrogen 2.760 N/A TYR 223.A OH HIS 197.A NE2 no hydrogen 3.062 N/A HIS 224.A N CYS 220.A O no hydrogen 2.869 N/A SER 225.A N GLU 221.A O no hydrogen 3.136 N/A SER 225.A OG GLU 221.A O no hydrogen 3.016 N/A SER 225.A OG ARG 222.A O no hydrogen 3.037 N/A TYR 226.A N TYR 223.A O no hydrogen 2.889 N/A ARG 227.A N HIS 224.A O no hydrogen 3.068 N/A ARG 227.A NH1 HIS 224.A O no hydrogen 2.911 N/A PHE 230.A N TYR 226.A O no hydrogen 2.938 N/A ALA 231.A N ARG 227.A O no hydrogen 2.992 N/A ASN 232.A N HIS 228.A O no hydrogen 2.853 N/A LEU 233.A N THR 229.A O no hydrogen 2.875 N/A LEU 234.A N PHE 230.A O no hydrogen 2.875 N/A ASN 235.A N ALA 231.A O no hydrogen 2.838 N/A GLY 236.A N ASN 232.A O no hydrogen 2.891 N/A LYS 237.A N LEU 233.A O no hydrogen 3.121 N/A ILE 238.A N LEU 234.A O no hydrogen 2.845 N/A GLN 239.A N ASN 235.A O no hydrogen 2.868 N/A ALA 240.A N GLY 236.A O no hydrogen 2.871 N/A HIS 241.A N LYS 237.A O no hydrogen 3.029 N/A HIS 241.A ND1 HIS 468.A NE2 no hydrogen 2.943 N/A VAL 242.A N ILE 238.A O no hydrogen 3.014 N/A PHE 243.A N GLN 239.A O no hydrogen 2.858 N/A TYR 244.A N ALA 240.A O no hydrogen 3.030 N/A ALA 245.A N HIS 241.A O no hydrogen 2.814 N/A LYS 246.A N VAL 242.A O no hydrogen 3.109 N/A ASN 247.A N PHE 243.A O no hydrogen 3.373 N/A LYS 248.A N TYR 244.A O no hydrogen 3.208 N/A LYS 248.A N ALA 245.A O no hydrogen 3.261 N/A ARG 249.A NH2 THR 149.A O no hydrogen 3.376 N/A TYR 250.A N ALA 245.A O no hydrogen 3.124 N/A ASN 251.A ND2 GLN 255.A OE1 no hydrogen 3.518 N/A CYS 253.A N GLU 472.A OE2 no hydrogen 2.997 N/A CYS 253.A SG GLU 472.A OE2 no hydrogen 3.411 N/A GLN 255.A N SER 252.A OG no hydrogen 3.326 N/A ALA 256.A N SER 252.A O no hydrogen 3.226 N/A ALA 257.A N CYS 253.A O no hydrogen 2.888 N/A LEU 258.A N LEU 254.A O no hydrogen 2.848 N/A TYR 259.A OH ARG 144.A O no hydrogen 2.523 N/A ASN 262.A N TYR 259.A O no hydrogen 2.642 N/A ILE 263.A N LEU 258.A O no hydrogen 2.846 N/A VAL 267.A N PRO 264.A O no hydrogen 2.928 N/A TYR 268.A OH ALA 461.A O no hydrogen 2.772 N/A THR 269.A N THR 265.A O no hydrogen 2.799 N/A ASN 270.A N THR 266.A O no hydrogen 2.709 N/A LEU 271.A N VAL 267.A O no hydrogen 3.015 N/A ILE 272.A N TYR 268.A O no hydrogen 3.192 N/A ASP 273.A N THR 269.A O no hydrogen 3.227 N/A ILE 274.A N ASN 270.A O no hydrogen 2.778 N/A VAL 275.A N LEU 271.A O no hydrogen 2.954 N/A LYS 276.A N ILE 272.A O no hydrogen 2.971 N/A LYS 276.A NZ GLU 492.A OE1 no hydrogen 3.382 N/A LYS 276.A NZ GLU 492.A OE2 no hydrogen 3.368 N/A LYS 277.A N ASP 273.A O no hydrogen 2.988 N/A ASN 278.A N VAL 275.A O no hydrogen 2.838 N/A ASN 278.A ND2 ILE 274.A O no hydrogen 2.388 N/A SER 279.A N LYS 276.A O no hydrogen 3.004 N/A SER 279.A OG LYS 276.A O no hydrogen 2.488 N/A SER 279.A OG GLU 492.A O no hydrogen 3.531 N/A LEU 281.A N ASN 278.A O no hydrogen 2.611 N/A THR 283.A N SER 279.A O no hydrogen 3.134 N/A THR 283.A OG1 SER 279.A O no hydrogen 3.453 N/A LYS 284.A N SER 280.A O no hydrogen 2.804 N/A LYS 284.A NZ GLU 585.A OE2 no hydrogen 3.398 N/A TYR 285.A N LEU 281.A O no hydrogen 3.117 N/A TYR 285.A OH ASP 448.A OD1 no hydrogen 2.667 N/A PHE 286.A N ILE 282.A O no hydrogen 2.994 N/A SER 287.A N THR 283.A O no hydrogen 3.237 N/A SER 287.A OG THR 283.A O no hydrogen 2.497 N/A SER 287.A OG LYS 284.A O no hydrogen 3.428 N/A ILE 288.A N LYS 284.A O no hydrogen 3.319 N/A LYS 289.A N TYR 285.A O no hydrogen 3.193 N/A LYS 289.A NZ VAL 303.A O no hydrogen 2.733 N/A LYS 289.A NZ ALA 305.A O no hydrogen 3.074 N/A LYS 289.A NZ ASP 448.A OD1 no hydrogen 2.894 N/A LYS 289.A NZ ASP 448.A OD2 no hydrogen 3.412 N/A GLN 290.A N PHE 286.A O no hydrogen 2.726 N/A GLN 290.A NE2 LEU 295.A O no hydrogen 2.892 N/A ARG 291.A N SER 287.A O no hydrogen 2.751 N/A CYS 292.A N ILE 288.A O no hydrogen 2.935 N/A LEU 293.A N GLN 290.A O no hydrogen 3.202 N/A ASN 294.A N ARG 291.A O no hydrogen 3.262 N/A LEU 295.A N GLN 290.A O no hydrogen 3.293 N/A HIS 299.A N ASP 302.A OD2 no hydrogen 2.695 N/A HIS 299.A ND1 ASP 501.A OD2 no hydrogen 2.695 N/A ASP 302.A N HIS 299.A O no hydrogen 2.677 N/A ALA 305.A N ASP 302.A O no hydrogen 3.044 N/A SER 308.A OG GLU 437.A O no hydrogen 3.223 N/A SER 308.A OG THR 441.A OG1 no hydrogen 2.672 N/A LYS 311.A NZ TYR 313.A OH no hydrogen 3.453 N/A TYR 313.A N GLY 377.A O no hydrogen 2.775 N/A THR 314.A N GLU 317.A OE1 no hydrogen 2.782 N/A GLN 316.A NE2 ASP 320.A OD1 no hydrogen 3.044 N/A GLU 317.A N THR 314.A OG1 no hydrogen 2.889 N/A ALA 318.A N THR 314.A O no hydrogen 2.819 N/A VAL 319.A N PHE 315.A O no hydrogen 2.937 N/A ASP 320.A N GLN 316.A O no hydrogen 2.979 N/A LEU 321.A N GLU 317.A O no hydrogen 3.002 N/A ILE 322.A N ALA 318.A O no hydrogen 2.844 N/A TYR 323.A N VAL 319.A O no hydrogen 2.791 N/A TYR 323.A OH ASP 335.A OD1 no hydrogen 2.856 N/A THR 324.A N ASP 320.A O no hydrogen 3.173 N/A THR 324.A OG1 ASP 320.A O no hydrogen 3.327 N/A THR 324.A OG1 LEU 321.A O no hydrogen 3.263 N/A SER 325.A N LEU 321.A O no hydrogen 2.820 N/A SER 325.A OG LEU 321.A O no hydrogen 2.857 N/A LEU 326.A N ILE 322.A O no hydrogen 2.832 N/A SER 327.A N THR 324.A O no hydrogen 3.376 N/A SER 327.A OG THR 324.A O no hydrogen 3.018 N/A LEU 329.A N LEU 326.A O no hydrogen 2.626 N/A GLY 330.A N SER 327.A O no hydrogen 2.761 N/A ILE 334.A N GLY 330.A O no hydrogen 3.029 N/A ASP 335.A N THR 331.A O no hydrogen 2.953 N/A THR 336.A N GLU 332.A O no hydrogen 3.073 N/A THR 336.A OG1 GLU 332.A O no hydrogen 3.179 N/A LEU 337.A N TYR 333.A O no hydrogen 3.066 N/A LYS 338.A N ILE 334.A O no hydrogen 3.031 N/A GLN 339.A N ASP 335.A O no hydrogen 2.704 N/A GLY 340.A N THR 336.A O no hydrogen 2.967 N/A LEU 341.A N LEU 337.A O no hydrogen 3.018 N/A THR 342.A N GLN 339.A O no hydrogen 3.378 N/A THR 342.A OG1 LYS 338.A O no hydrogen 3.036 N/A THR 343.A N GLN 339.A O no hydrogen 2.899 N/A THR 343.A OG1 GLN 339.A O no hydrogen 3.449 N/A GLN 344.A N GLN 339.A O no hydrogen 2.796 N/A GLN 344.A NE2 GLN 339.A O no hydrogen 3.659 N/A TRP 346.A N GLY 340.A O no hydrogen 3.107 N/A ASP 348.A N VAL 371.A O no hydrogen 2.905 N/A LYS 349.A N ASP 12.A O no hydrogen 3.010 N/A LYS 349.A NZ GLN 11.A O no hydrogen 2.966 N/A ASN 352.A ND2 GLN 83.A O no hydrogen 2.911 N/A ASN 352.A ND2 LEU 353.A O no hydrogen 3.085 N/A LEU 353.A N ARG 3.A O no hydrogen 2.745 N/A LYS 355.A N ASN 352.A O no hydrogen 3.005 N/A LYS 355.A NZ ASP 348.A O no hydrogen 3.062 N/A LYS 355.A NZ ASP 348.A OD2 no hydrogen 2.683 N/A LYS 355.A NZ TYR 350.A O no hydrogen 2.739 N/A LYS 355.A NZ LEU 373.A O no hydrogen 2.881 N/A ARG 356.A N ASP 82.A O no hydrogen 2.849 N/A ARG 356.A NE ASP 82.A OD1 no hydrogen 3.186 N/A ARG 356.A NH2 ASP 82.A OD1 no hydrogen 3.384 N/A TYR 360.A N LEU 372.A O no hydrogen 3.096 N/A TYR 360.A OH ASP 82.A OD2 no hydrogen 2.714 N/A SER 361.A OG GLU 388.A O no hydrogen 3.185 N/A SER 361.A OG GLU 388.A OE1 no hydrogen 2.558 N/A SER 362.A N TYR 370.A O no hydrogen 2.827 N/A GLY 363.A N SER 362.A OG no hydrogen 2.682 N/A CYS 364.A N SER 367.A OG no hydrogen 2.648 N/A CYS 364.A SG SER 367.A OG no hydrogen 3.581 N/A TYR 365.A OH GLN 402.A O no hydrogen 2.517 N/A SER 367.A N CYS 364.A O no hydrogen 3.094 N/A SER 367.A OG CYS 364.A O no hydrogen 3.072 N/A SER 367.A OG HIS 368.A O no hydrogen 3.262 N/A TYR 370.A N SER 362.A O no hydrogen 2.764 N/A TYR 370.A OH ASP 15.A O no hydrogen 2.538 N/A TYR 370.A OH HIS 368.A NE2 no hydrogen 3.162 N/A VAL 371.A N TRP 346.A O no hydrogen 2.806 N/A LEU 372.A N TYR 360.A O no hydrogen 2.973 N/A LEU 373.A N ASP 348.A O no hydrogen 3.036 N/A ASN 374.A ND2 ARG 356.A O no hydrogen 2.915 N/A ASN 374.A ND2 GLY 358.A O no hydrogen 2.859 N/A TYR 375.A N LYS 349.A O no hydrogen 2.801 N/A TYR 375.A OH TYR 313.A O no hydrogen 2.811 N/A THR 376.A N ASP 381.A OD1 no hydrogen 2.912 N/A THR 376.A N ASP 381.A OD2 no hydrogen 3.299 N/A THR 376.A OG1 ASP 381.A OD1 no hydrogen 3.328 N/A THR 376.A OG1 ASP 381.A OD2 no hydrogen 2.528 N/A THR 378.A N ASP 381.A OD2 no hydrogen 2.899 N/A THR 378.A OG1 ASP 381.A OD2 no hydrogen 2.905 N/A ASP 381.A N THR 378.A OG1 no hydrogen 3.099 N/A VAL 382.A N THR 378.A O no hydrogen 3.103 N/A SER 383.A N LEU 379.A O no hydrogen 3.126 N/A SER 383.A OG TYR 380.A O no hydrogen 3.086 N/A VAL 384.A N TYR 380.A O no hydrogen 3.093 N/A ILE 385.A N ASP 381.A O no hydrogen 3.073 N/A ALA 386.A N VAL 382.A O no hydrogen 3.028 N/A HIS 387.A N SER 383.A O no hydrogen 2.680 N/A HIS 387.A ND1 GLU 422.A OE2 no hydrogen 2.395 N/A GLU 388.A N VAL 384.A O no hydrogen 2.786 N/A GLY 389.A N ILE 385.A O no hydrogen 2.666 N/A GLY 390.A N ALA 386.A O no hydrogen 3.060 N/A HIS 391.A N HIS 387.A O no hydrogen 3.222 N/A SER 392.A N GLU 388.A O no hydrogen 2.905 N/A SER 392.A OG GLU 388.A O no hydrogen 3.106 N/A MET 393.A N GLY 389.A O no hydrogen 2.878 N/A HIS 394.A N GLY 390.A O no hydrogen 3.012 N/A SER 395.A N HIS 391.A O no hydrogen 2.918 N/A SER 395.A OG TYR 409.A OH no hydrogen 3.236 N/A TYR 396.A N SER 392.A O no hydrogen 2.830 N/A PHE 397.A N MET 393.A O no hydrogen 2.752 N/A SER 398.A N HIS 394.A O no hydrogen 2.967 N/A SER 398.A OG HIS 394.A O no hydrogen 3.365 N/A SER 398.A OG LEU 552.A O no hydrogen 2.711 N/A ARG 399.A N SER 395.A O no hydrogen 2.944 N/A LYS 400.A N TYR 396.A O no hydrogen 3.083 N/A HIS 401.A N PHE 397.A O no hydrogen 3.249 N/A HIS 401.A N SER 398.A O no hydrogen 3.358 N/A HIS 401.A ND1 PHE 397.A O no hydrogen 3.175 N/A GLN 402.A N SER 398.A O no hydrogen 2.887 N/A GLN 402.A NE2 LYS 553.A O no hydrogen 2.831 N/A HIS 405.A NE2 PRO 134.A O no hydrogen 2.704 N/A ASP 406.A N PRO 403.A O no hydrogen 2.964 N/A ALA 407.A N PHE 404.A O no hydrogen 3.415 N/A TYR 409.A OH SER 395.A OG no hydrogen 3.236 N/A LEU 413.A N PRO 410.A O no hydrogen 2.915 N/A ALA 414.A N ILE 411.A O no hydrogen 2.870 N/A SER 418.A OG GLU 415.A O no hydrogen 2.891 N/A SER 418.A OG GLU 415.A OE1 no hydrogen 3.547 N/A THR 419.A N GLU 415.A O no hydrogen 3.063 N/A THR 419.A OG1 GLU 415.A O no hydrogen 2.911 N/A LEU 420.A N ILE 416.A O no hydrogen 2.855 N/A ASN 421.A N ALA 417.A O no hydrogen 3.154 N/A ASN 421.A ND2 TYR 333.A OH no hydrogen 3.116 N/A ASN 421.A ND2 ALA 386.A O no hydrogen 3.125 N/A GLU 422.A N SER 418.A O no hydrogen 2.990 N/A MET 423.A N THR 419.A O no hydrogen 2.908 N/A LEU 424.A N LEU 420.A O no hydrogen 2.854 N/A LEU 425.A N ASN 421.A O no hydrogen 3.001 N/A MET 426.A N GLU 422.A O no hydrogen 3.227 N/A ASP 427.A N MET 423.A O no hydrogen 2.795 N/A SER 428.A N LEU 424.A O no hydrogen 2.828 N/A SER 428.A OG SER 325.A O no hydrogen 2.700 N/A SER 428.A OG LEU 424.A O no hydrogen 3.307 N/A MET 429.A N LEU 425.A O no hydrogen 2.896 N/A LEU 430.A N MET 426.A O no hydrogen 3.022 N/A LYS 431.A N ASP 427.A O no hydrogen 3.288 N/A LYS 431.A NZ ASP 427.A OD2 no hydrogen 3.413 N/A GLU 432.A N SER 428.A O no hydrogen 3.033 N/A SER 433.A N LEU 430.A O no hydrogen 2.955 N/A SER 433.A OG SER 435.A O no hydrogen 3.230 N/A SER 433.A OG GLU 438.A OE2 no hydrogen 2.997 N/A GLU 438.A N SER 435.A OG no hydrogen 3.245 N/A LYS 439.A N SER 435.A O no hydrogen 3.212 N/A ILE 440.A N LYS 436.A O no hydrogen 3.034 N/A THR 441.A N GLU 437.A O no hydrogen 2.965 N/A THR 441.A OG1 SER 308.A OG no hydrogen 2.672 N/A THR 441.A OG1 GLU 437.A O no hydrogen 3.253 N/A ILE 442.A N GLU 438.A O no hydrogen 2.722 N/A LEU 443.A N LYS 439.A O no hydrogen 2.847 N/A THR 444.A N ILE 440.A O no hydrogen 2.786 N/A THR 444.A OG1 ILE 440.A O no hydrogen 2.960 N/A ARG 445.A N THR 441.A O no hydrogen 3.057 N/A CYS 446.A N ILE 442.A O no hydrogen 3.084 N/A LEU 447.A N LEU 443.A O no hydrogen 2.981 N/A ASP 448.A N THR 444.A O no hydrogen 2.956 N/A THR 449.A N ARG 445.A O no hydrogen 3.108 N/A THR 449.A OG1 ARG 445.A O no hydrogen 2.847 N/A ILE 450.A N CYS 446.A O no hydrogen 3.057 N/A PHE 451.A N LEU 447.A O no hydrogen 2.621 N/A SER 452.A N ASP 448.A O no hydrogen 2.792 N/A SER 452.A OG ASP 448.A O no hydrogen 3.209 N/A SER 452.A OG THR 449.A O no hydrogen 3.425 N/A THR 453.A N THR 449.A O no hydrogen 2.740 N/A LEU 454.A N ILE 450.A O no hydrogen 2.816 N/A ARG 456.A N PHE 451.A O no hydrogen 3.197 N/A ARG 456.A NE TYR 304.A OH no hydrogen 3.244 N/A GLN 457.A NE2 SER 452.A O no hydrogen 3.009 N/A VAL 458.A N LEU 454.A O no hydrogen 3.091 N/A LEU 459.A N PHE 455.A O no hydrogen 2.902 N/A PHE 460.A N ARG 456.A O no hydrogen 3.165 N/A ALA 461.A N GLN 457.A O no hydrogen 2.841 N/A SER 462.A N VAL 458.A O no hydrogen 2.886 N/A SER 462.A OG VAL 458.A O no hydrogen 3.124 N/A SER 462.A OG LEU 459.A O no hydrogen 3.041 N/A PHE 463.A N LEU 459.A O no hydrogen 3.013 N/A GLU 464.A N PHE 460.A O no hydrogen 2.763 N/A TYR 465.A N ALA 461.A O no hydrogen 2.901 N/A ASP 466.A N SER 462.A O no hydrogen 2.677 N/A ILE 467.A N PHE 463.A O no hydrogen 3.049 N/A HIS 468.A N GLU 464.A O no hydrogen 3.396 N/A HIS 468.A ND1 GLU 464.A O no hydrogen 2.645 N/A HIS 468.A NE2 HIS 241.A ND1 no hydrogen 2.943 N/A HIS 469.A N TYR 465.A O no hydrogen 3.019 N/A ALA 470.A N ASP 466.A O no hydrogen 2.977 N/A ALA 471.A N ILE 467.A O no hydrogen 2.970 N/A GLU 472.A N HIS 468.A O no hydrogen 2.796 N/A HIS 473.A N HIS 469.A O no hydrogen 3.129 N/A GLY 474.A N ALA 471.A O no hydrogen 2.452 N/A VAL 475.A N ALA 470.A O no hydrogen 3.135 N/A LEU 477.A N ASN 235.A OD1 no hydrogen 3.080 N/A THR 478.A N PRO 476.A O no hydrogen 2.949 N/A TYR 481.A N THR 478.A OG1 no hydrogen 3.129 N/A LEU 482.A N THR 478.A O no hydrogen 2.867 N/A SER 483.A N GLU 479.A O no hydrogen 2.950 N/A SER 483.A OG GLU 479.A OE1 no hydrogen 3.232 N/A SER 483.A OG ASN 505.A O no hydrogen 3.481 N/A SER 484.A N GLU 480.A O no hydrogen 3.196 N/A SER 484.A N TYR 481.A O no hydrogen 2.927 N/A SER 484.A OG GLU 480.A O no hydrogen 3.131 N/A THR 485.A N TYR 481.A O no hydrogen 2.975 N/A THR 485.A OG1 TYR 481.A O no hydrogen 3.042 N/A TYR 486.A N LEU 482.A O no hydrogen 2.970 N/A LYS 487.A N SER 483.A O no hydrogen 3.197 N/A ASN 488.A N SER 484.A O no hydrogen 2.929 N/A LEU 489.A N THR 485.A O no hydrogen 3.141 N/A GLN 490.A N TYR 486.A O no hydrogen 2.794 N/A GLN 490.A NE2 SER 504.A O no hydrogen 3.132 N/A ASN 491.A N LYS 487.A O no hydrogen 2.925 N/A GLU 492.A N ASN 488.A O no hydrogen 2.791 N/A PHE 493.A N LEU 489.A O no hydrogen 3.117 N/A TYR 494.A N GLN 490.A O no hydrogen 2.710 N/A GLY 495.A N ASN 491.A O no hydrogen 2.759 N/A ILE 497.A N TYR 494.A O no hydrogen 2.986 N/A ILE 498.A N TYR 494.A O no hydrogen 2.812 N/A THR 499.A N PHE 298.A O no hydrogen 2.866 N/A ASP 501.A N SER 504.A OG no hydrogen 2.948 N/A SER 504.A N ASP 501.A O no hydrogen 3.286 N/A SER 504.A OG TYR 216.A OH no hydrogen 2.610 N/A SER 504.A OG ASP 501.A O no hydrogen 3.328 N/A ASN 505.A ND2 SER 483.A O no hydrogen 3.106 N/A ILE 506.A N LEU 503.A O no hydrogen 2.891 N/A TRP 508.A NE1 SER 483.A OG no hydrogen 2.951 N/A ALA 509.A N ILE 506.A O no hydrogen 2.798 N/A ARG 510.A N GLU 507.A O no hydrogen 2.858 N/A TYR 515.A N PRO 512.A O no hydrogen 2.779 N/A TYR 516.A N HIS 513.A O no hydrogen 2.893 N/A PHE 518.A N GLU 464.A OE2 no hydrogen 2.603 N/A GLN 522.A N TYR 519.A O no hydrogen 2.807 N/A TYR 523.A N VAL 520.A O no hydrogen 2.832 N/A THR 525.A N TYR 521.A O no hydrogen 3.021 N/A THR 525.A OG1 TYR 521.A O no hydrogen 3.509 N/A THR 525.A OG1 GLN 522.A O no hydrogen 3.215 N/A GLY 526.A N GLN 522.A O no hydrogen 3.012 N/A ILE 527.A N TYR 523.A O no hydrogen 3.026 N/A ILE 528.A N ALA 524.A O no hydrogen 2.785 N/A ALA 529.A N THR 525.A O no hydrogen 2.791 N/A ALA 530.A N GLY 526.A O no hydrogen 2.937 N/A LEU 531.A N ILE 527.A O no hydrogen 2.861 N/A CYS 532.A N ILE 528.A O no hydrogen 2.879 N/A PHE 533.A N ALA 529.A O no hydrogen 2.935 N/A LEU 534.A N ALA 530.A O no hydrogen 2.905 N/A GLU 535.A N LEU 531.A O no hydrogen 2.860 N/A LYS 536.A N CYS 532.A O no hydrogen 3.132 N/A LYS 536.A NZ GLY 568.A O no hydrogen 3.181 N/A ILE 537.A N PHE 533.A O no hydrogen 3.101 N/A LEU 538.A N LEU 534.A O no hydrogen 2.823 N/A ASN 539.A N GLU 535.A O no hydrogen 3.166 N/A ASN 539.A N LYS 536.A O no hydrogen 3.317 N/A ASN 540.A N ILE 537.A O no hydrogen 3.293 N/A GLU 541.A N LYS 536.A O no hydrogen 2.997 N/A ASN 546.A ND2 ASN 543.A OD1 no hydrogen 3.485 N/A SER 547.A N ASN 543.A O no hydrogen 3.384 N/A SER 547.A OG ASN 543.A O no hydrogen 3.385 N/A TYR 548.A N ALA 544.A O no hydrogen 2.836 N/A LEU 549.A N LEU 545.A O no hydrogen 2.924 N/A ASN 550.A N ASN 546.A O no hydrogen 2.771 N/A PHE 551.A N SER 547.A O no hydrogen 2.823 N/A LEU 552.A N TYR 548.A O no hydrogen 2.947 N/A LYS 553.A N LEU 549.A O no hydrogen 3.126 N/A SER 554.A N PHE 551.A O no hydrogen 2.984 N/A SER 554.A OG ASN 550.A O no hydrogen 2.522 N/A SER 554.A OG PHE 551.A O no hydrogen 3.417 N/A GLY 556.A N ASP 406.A O no hydrogen 2.662 N/A SER 557.A N SER 554.A O no hydrogen 3.164 N/A SER 557.A OG SER 554.A O no hydrogen 2.637 N/A PHE 559.A N ASP 558.A OD1 no hydrogen 2.894 N/A ILE 563.A N PHE 559.A O no hydrogen 2.953 N/A LEU 564.A N PRO 560.A O no hydrogen 3.040 N/A LYS 565.A N LEU 561.A O no hydrogen 2.708 N/A LYS 566.A N GLU 562.A O no hydrogen 2.899 N/A LYS 566.A NZ ASP 558.A OD2 no hydrogen 2.530 N/A SER 567.A N LEU 564.A O no hydrogen 2.827 N/A SER 567.A OG ILE 563.A O no hydrogen 3.141 N/A GLY 568.A N LYS 565.A O no hydrogen 2.742 N/A LEU 569.A N LEU 564.A O no hydrogen 3.057 N/A GLY 572.A N ASP 570.A OD1 no hydrogen 2.807 N/A THR 573.A N ASP 570.A O no hydrogen 2.754 N/A THR 573.A OG1 ASP 570.A O no hydrogen 2.955 N/A THR 573.A OG1 GLU 575.A OE2 no hydrogen 2.998 N/A GLU 575.A N THR 573.A OG1 no hydrogen 3.312 N/A GLN 578.A N VAL 574.A O no hydrogen 3.087 N/A LYS 579.A N GLU 575.A O no hydrogen 2.930 N/A LYS 579.A NZ GLU 541.A OE1 no hydrogen 2.968 N/A LYS 579.A NZ GLU 541.A OE2 no hydrogen 3.324 N/A ALA 580.A N PRO 576.A O no hydrogen 2.995 N/A PHE 581.A N ILE 577.A O no hydrogen 2.955 N/A CYS 582.A N GLN 578.A O no hydrogen 2.918 N/A CYS 582.A SG GLN 578.A O no hydrogen 3.161 N/A PHE 583.A N LYS 579.A O no hydrogen 3.234 N/A ILE 584.A N ALA 580.A O no hydrogen 3.098 N/A GLU 585.A N PHE 581.A O no hydrogen 2.796 N/A LYS 586.A N CYS 582.A O no hydrogen 2.964 N/A LYS 586.A NZ GLU 590.A OE2 no hydrogen 3.325 N/A LYS 587.A N PHE 583.A O no hydrogen 3.222 N/A LYS 587.A NZ ASP 427.A OD1 no hydrogen 3.075 N/A ILE 588.A N ILE 584.A O no hydrogen 2.870 N/A GLN 589.A N GLU 585.A O no hydrogen 3.035 N/A GLU 590.A N LYS 586.A O no hydrogen 2.976 N/A LEU 591.A N LYS 587.A O no hydrogen 3.038 N/A SER 592.A N ILE 588.A O no hydrogen 2.845 N/A SER 593.A N GLN 589.A O no hydrogen 3.115 N/A SER 593.A OG GLN 589.A O no hydrogen 3.251 N/A SER 593.A OG GLU 590.A O no hydrogen 3.524 N/A LEU 594.A N LEU 591.A O no hydrogen 2.894 N/A