Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ayx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N LEU 1.A O no hydrogen 3.182 N/A ARG 5.A N LEU 1.A O no hydrogen 3.402 N/A LEU 7.A N GLU 3.A O no hydrogen 3.116 N/A LEU 8.A N ALA 4.A O no hydrogen 3.066 N/A GLY 9.A N ARG 5.A O no hydrogen 3.117 N/A LEU 10.A N LYS 6.A O no hydrogen 3.223 N/A ALA 11.A N LEU 7.A O no hydrogen 3.336 N/A GLU 14.A N ALA 11.A O no hydrogen 3.020 N/A ARG 15.A N TYR 12.A O no hydrogen 3.226 N/A ARG 15.A NH1 TYR 12.A O no hydrogen 2.877 N/A ARG 17.A NE THR 85.A OG1 no hydrogen 3.268 N/A ARG 17.A NH2 THR 85.A OG1 no hydrogen 2.804 N/A LEU 18.A N GLU 14.A O no hydrogen 2.993 N/A ALA 19.A N ARG 15.A O no hydrogen 2.947 N/A ALA 20.A N ARG 16.A O no hydrogen 3.200 N/A ALA 21.A N ARG 17.A O no hydrogen 3.108 N/A VAL 22.A N LEU 18.A O no hydrogen 2.912 N/A GLY 23.A N ALA 19.A O no hydrogen 2.955 N/A PHE 24.A N ALA 20.A O no hydrogen 3.079 N/A LEU 25.A N ALA 21.A O no hydrogen 2.838 N/A THR 26.A N VAL 22.A O no hydrogen 2.788 N/A THR 26.A OG1 VAL 22.A O no hydrogen 2.709 N/A MET 27.A N GLY 23.A O no hydrogen 3.139 N/A SER 28.A N PHE 24.A O no hydrogen 3.163 N/A SER 28.A OG PHE 24.A O no hydrogen 3.347 N/A SER 29.A N LEU 25.A O no hydrogen 2.970 N/A SER 29.A OG LEU 25.A O no hydrogen 3.041 N/A VAL 30.A N THR 26.A O no hydrogen 3.023 N/A ILE 31.A N MET 27.A O no hydrogen 2.843 N/A SER 32.A N SER 28.A O no hydrogen 3.173 N/A MET 33.A N SER 29.A O no hydrogen 3.188 N/A MET 33.A N VAL 30.A O no hydrogen 3.167 N/A SER 34.A N ILE 31.A O no hydrogen 3.293 N/A SER 34.A OG ILE 31.A O no hydrogen 3.410 N/A ALA 35.A N SER 32.A O no hydrogen 3.282 N/A PHE 38.A N SER 34.A O no hydrogen 3.027 N/A LEU 39.A N ALA 35.A O no hydrogen 2.890 N/A GLY 40.A N PRO 36.A O no hydrogen 3.063 N/A LYS 41.A N PHE 37.A O no hydrogen 3.261 N/A ILE 42.A N PHE 38.A O no hydrogen 3.028 N/A ILE 43.A N LEU 39.A O no hydrogen 2.959 N/A ASP 44.A N GLY 40.A O no hydrogen 3.224 N/A VAL 45.A N LYS 41.A O no hydrogen 3.092 N/A VAL 45.A N ILE 42.A O no hydrogen 3.107 N/A ILE 46.A N ILE 42.A O no hydrogen 3.108 N/A TYR 47.A N ILE 43.A O no hydrogen 3.195 N/A THR 48.A N ASP 44.A O no hydrogen 3.021 N/A THR 48.A OG1 ASP 44.A O no hydrogen 2.693 N/A ASN 49.A N VAL 45.A O no hydrogen 2.983 N/A ASN 49.A ND2 VAL 45.A O no hydrogen 3.109 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 3.357 N/A SER 55.A OG ASP 53.A OD2 no hydrogen 3.554 N/A LEU 58.A N TYR 54.A O no hydrogen 2.845 N/A THR 59.A N SER 55.A O no hydrogen 3.060 N/A THR 59.A OG1 SER 55.A O no hydrogen 2.780 N/A ARG 60.A N ASP 56.A O no hydrogen 2.964 N/A LEU 61.A N ASN 57.A O no hydrogen 2.895 N/A CYS 62.A N LEU 58.A O no hydrogen 2.769 N/A CYS 62.A SG LEU 58.A O no hydrogen 3.284 N/A LEU 63.A N THR 59.A O no hydrogen 2.974 N/A GLY 64.A N ARG 60.A O no hydrogen 3.070 N/A LEU 65.A N LEU 61.A O no hydrogen 2.771 N/A SER 66.A N CYS 62.A O no hydrogen 2.945 N/A SER 66.A OG CYS 62.A O no hydrogen 3.014 N/A ALA 67.A N LEU 63.A O no hydrogen 3.384 N/A VAL 68.A N GLY 64.A O no hydrogen 3.114 N/A PHE 69.A N LEU 65.A O no hydrogen 2.884 N/A LEU 70.A N SER 66.A O no hydrogen 2.939 N/A CYS 71.A N ALA 67.A O no hydrogen 3.004 N/A CYS 71.A SG ALA 67.A O no hydrogen 3.196 N/A GLY 72.A N VAL 68.A O no hydrogen 2.816 N/A ALA 73.A N PHE 69.A O no hydrogen 2.718 N/A ALA 74.A N LEU 70.A O no hydrogen 3.173 N/A ALA 75.A N CYS 71.A O no hydrogen 2.845 N/A ASN 76.A N GLY 72.A O no hydrogen 3.021 N/A ALA 77.A N ALA 73.A O no hydrogen 2.881 N/A ILE 78.A N ALA 74.A O no hydrogen 3.043 N/A ARG 79.A N ALA 75.A O no hydrogen 2.959 N/A VAL 80.A N ASN 76.A O no hydrogen 3.013 N/A TYR 81.A N ALA 77.A O no hydrogen 3.197 N/A LEU 82.A N ILE 78.A O no hydrogen 3.032 N/A MET 83.A N ARG 79.A O no hydrogen 2.970 N/A GLN 84.A N VAL 80.A O no hydrogen 2.875 N/A THR 85.A N TYR 81.A O no hydrogen 2.960 N/A THR 85.A OG1 TYR 81.A O no hydrogen 2.892 N/A THR 85.A OG1 LEU 82.A O no hydrogen 3.182 N/A SER 86.A N LEU 82.A O no hydrogen 3.140 N/A SER 86.A OG LEU 82.A O no hydrogen 2.699 N/A GLY 87.A N MET 83.A O no hydrogen 3.232 N/A GLN 88.A N GLN 84.A O no hydrogen 2.947 N/A ARG 89.A N THR 85.A O no hydrogen 2.954 N/A ILE 90.A N SER 86.A O no hydrogen 3.113 N/A VAL 91.A N GLY 87.A O no hydrogen 2.745 N/A ASN 92.A N GLN 88.A O no hydrogen 2.865 N/A ARG 93.A N ARG 89.A O no hydrogen 3.240 N/A LEU 94.A N ILE 90.A O no hydrogen 3.049 N/A ARG 95.A N VAL 91.A O no hydrogen 2.791 N/A THR 96.A N ASN 92.A O no hydrogen 3.182 N/A THR 96.A OG1 ASN 92.A O no hydrogen 3.357 N/A THR 96.A OG1 ARG 93.A O no hydrogen 3.270 N/A SER 97.A N ARG 93.A O no hydrogen 3.055 N/A SER 97.A OG ARG 93.A O no hydrogen 2.726 N/A LEU 98.A N LEU 94.A O no hydrogen 2.982 N/A PHE 99.A N ARG 95.A O no hydrogen 3.007 N/A SER 100.A N THR 96.A O no hydrogen 3.189 N/A SER 101.A N SER 97.A O no hydrogen 3.211 N/A SER 101.A OG SER 97.A O no hydrogen 2.906 N/A ILE 102.A N LEU 98.A O no hydrogen 2.953 N/A LEU 103.A N PHE 99.A O no hydrogen 3.084 N/A ARG 104.A N SER 100.A O no hydrogen 3.304 N/A ARG 104.A NE SER 100.A OG no hydrogen 3.075 N/A GLN 105.A N ILE 102.A O no hydrogen 3.008 N/A GLN 105.A NE2 SER 101.A O no hydrogen 2.809 N/A GLN 105.A NE2 ARG 318.A O no hydrogen 3.162 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 2.869 N/A PHE 109.A N GLU 106.A O no hydrogen 3.119 N/A ASP 111.A N VAL 107.A O no hydrogen 3.002 N/A LYS 112.A N PHE 109.A O no hydrogen 3.252 N/A THR 113.A OG1 PHE 109.A O no hydrogen 2.856 N/A GLU 117.A N ARG 114.A O no hydrogen 3.226 N/A LEU 118.A N ARG 114.A O no hydrogen 3.366 N/A ILE 119.A N THR 115.A O no hydrogen 2.835 N/A ASN 120.A N GLY 116.A O no hydrogen 2.853 N/A ARG 121.A N GLU 117.A O no hydrogen 2.882 N/A ARG 121.A NE GLU 117.A OE2 no hydrogen 3.020 N/A ARG 121.A NH1 ARG 311.A O no hydrogen 2.774 N/A ARG 121.A NH1 GLU 314.A OE1 no hydrogen 2.840 N/A LEU 122.A N LEU 118.A O no hydrogen 2.959 N/A SER 123.A N ILE 119.A O no hydrogen 2.699 N/A SER 123.A OG ILE 119.A O no hydrogen 2.688 N/A SER 123.A OG ASN 120.A O no hydrogen 3.545 N/A SER 124.A N ASN 120.A O no hydrogen 2.839 N/A SER 124.A OG ASN 120.A O no hydrogen 3.411 N/A ASP 125.A N ASN 120.A O no hydrogen 3.254 N/A THR 126.A OG1 LEU 122.A O no hydrogen 2.584 N/A THR 126.A OG1 SER 123.A O no hydrogen 3.174 N/A LEU 128.A N SER 124.A O no hydrogen 3.038 N/A LEU 129.A N ASP 125.A O no hydrogen 3.165 N/A GLY 130.A N THR 126.A O no hydrogen 3.100 N/A ARG 131.A N ALA 127.A O no hydrogen 3.175 N/A SER 132.A N LEU 128.A O no hydrogen 2.863 N/A SER 132.A OG LEU 128.A O no hydrogen 3.215 N/A SER 132.A OG GLU 301.A O no hydrogen 3.346 N/A VAL 133.A N LEU 129.A O no hydrogen 3.379 N/A THR 134.A N ARG 131.A O no hydrogen 3.126 N/A THR 134.A OG1 GLY 130.A O no hydrogen 2.777 N/A ASN 136.A N ARG 131.A O no hydrogen 2.785 N/A ASN 136.A ND2 PHE 298.A O no hydrogen 3.632 N/A SER 138.A N THR 134.A O no hydrogen 2.962 N/A ASP 139.A N GLU 135.A O no hydrogen 3.066 N/A GLY 140.A N ASN 136.A O no hydrogen 2.995 N/A LEU 141.A N LEU 137.A O no hydrogen 3.065 N/A ARG 142.A N SER 138.A O no hydrogen 2.972 N/A ARG 142.A NH2 ASP 139.A OD1 no hydrogen 3.086 N/A ALA 143.A N ASP 139.A O no hydrogen 3.067 N/A GLY 144.A N GLY 140.A O no hydrogen 2.916 N/A ALA 145.A N LEU 141.A O no hydrogen 2.927 N/A GLN 146.A N ARG 142.A O no hydrogen 2.883 N/A ALA 147.A N ALA 143.A O no hydrogen 2.991 N/A SER 148.A N GLY 144.A O no hydrogen 3.321 N/A SER 148.A OG GLY 144.A O no hydrogen 2.581 N/A VAL 149.A N ALA 145.A O no hydrogen 3.020 N/A GLY 150.A N GLN 146.A O no hydrogen 2.845 N/A ILE 151.A N ALA 147.A O no hydrogen 2.855 N/A SER 152.A N SER 148.A O no hydrogen 3.030 N/A SER 152.A OG SER 148.A O no hydrogen 2.587 N/A MET 153.A N VAL 149.A O no hydrogen 2.713 N/A MET 154.A N GLY 150.A O no hydrogen 2.951 N/A PHE 155.A N ILE 151.A O no hydrogen 3.069 N/A PHE 156.A N SER 152.A O no hydrogen 2.887 N/A VAL 157.A N MET 153.A O no hydrogen 2.918 N/A SER 158.A N MET 154.A O no hydrogen 2.917 N/A LEU 161.A N SER 158.A OG no hydrogen 2.938 N/A ALA 162.A N SER 158.A O no hydrogen 3.003 N/A THR 163.A N PRO 159.A O no hydrogen 3.045 N/A THR 163.A OG1 PRO 159.A O no hydrogen 2.663 N/A PHE 164.A N ASN 160.A O no hydrogen 3.091 N/A VAL 165.A N LEU 161.A O no hydrogen 3.069 N/A LEU 166.A N ALA 162.A O no hydrogen 2.987 N/A SER 167.A N THR 163.A O no hydrogen 3.016 N/A SER 167.A N PHE 164.A O no hydrogen 3.070 N/A SER 167.A OG THR 163.A O no hydrogen 3.563 N/A SER 167.A OG PHE 164.A O no hydrogen 2.724 N/A VAL 168.A N PHE 164.A O no hydrogen 3.162 N/A VAL 168.A N VAL 165.A O no hydrogen 3.228 N/A VAL 169.A N VAL 165.A O no hydrogen 2.972 N/A VAL 172.A N VAL 168.A O no hydrogen 3.512 N/A SER 173.A N VAL 169.A O no hydrogen 2.860 N/A SER 173.A OG VAL 169.A O no hydrogen 3.407 N/A ILE 174.A N PRO 170.A O no hydrogen 2.944 N/A ILE 175.A N PRO 171.A O no hydrogen 3.184 N/A ALA 176.A N VAL 172.A O no hydrogen 2.980 N/A VAL 177.A N SER 173.A O no hydrogen 2.949 N/A ILE 178.A N ILE 174.A O no hydrogen 3.135 N/A TYR 179.A N ILE 175.A O no hydrogen 3.075 N/A TYR 179.A OH ALA 241.A O no hydrogen 3.157 N/A GLY 180.A N ALA 176.A O no hydrogen 2.847 N/A ARG 181.A N VAL 177.A O no hydrogen 2.938 N/A TYR 182.A N ILE 178.A O no hydrogen 3.254 N/A LEU 183.A N TYR 179.A O no hydrogen 3.068 N/A ARG 184.A N GLY 180.A O no hydrogen 3.228 N/A LYS 185.A N ARG 181.A O no hydrogen 3.272 N/A LEU 186.A N TYR 182.A O no hydrogen 3.193 N/A THR 187.A N LEU 183.A O no hydrogen 3.157 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.714 N/A THR 187.A OG1 GLU 238.A OE2 no hydrogen 3.032 N/A LYS 188.A N ARG 184.A O no hydrogen 3.161 N/A VAL 189.A N LYS 185.A O no hydrogen 3.089 N/A THR 190.A N LEU 186.A O no hydrogen 3.314 N/A THR 190.A OG1 LEU 186.A O no hydrogen 3.002 N/A THR 190.A OG1 GLU 238.A OE1 no hydrogen 3.475 N/A GLN 191.A N THR 187.A O no hydrogen 2.914 N/A ASP 192.A N LYS 188.A O no hydrogen 2.713 N/A SER 193.A N VAL 189.A O no hydrogen 3.311 N/A LEU 194.A N THR 190.A O no hydrogen 3.038 N/A ALA 195.A N GLN 191.A O no hydrogen 3.120 N/A GLN 196.A N ASP 192.A O no hydrogen 3.106 N/A ALA 197.A N SER 193.A O no hydrogen 3.251 N/A THR 198.A N LEU 194.A O no hydrogen 3.061 N/A THR 198.A OG1 LEU 194.A O no hydrogen 3.045 N/A GLN 199.A N ALA 195.A O no hydrogen 2.903 N/A LEU 200.A N GLN 196.A O no hydrogen 3.012 N/A ALA 201.A N ALA 197.A O no hydrogen 3.066 N/A GLU 202.A N THR 198.A O no hydrogen 2.836 N/A GLU 203.A N GLN 199.A O no hydrogen 2.864 N/A ARG 204.A N LEU 200.A O no hydrogen 2.945 N/A ARG 204.A NE GLU 220.A OE1 no hydrogen 3.175 N/A ARG 204.A NE GLU 220.A OE2 no hydrogen 2.986 N/A ARG 204.A NH1 GLU 203.A OE1 no hydrogen 2.635 N/A ILE 205.A N ALA 201.A O no hydrogen 2.871 N/A GLY 206.A N GLU 202.A O no hydrogen 2.949 N/A ASN 207.A N GLU 203.A O no hydrogen 3.001 N/A ASN 207.A ND2 GLU 203.A O no hydrogen 2.733 N/A VAL 211.A N ASN 207.A O no hydrogen 3.184 N/A ARG 212.A N VAL 208.A O no hydrogen 2.792 N/A ALA 213.A N ARG 209.A O no hydrogen 2.976 N/A PHE 214.A N THR 210.A O no hydrogen 3.276 N/A GLY 215.A N ARG 212.A O no hydrogen 2.763 N/A LYS 216.A N VAL 211.A O no hydrogen 2.965 N/A LYS 216.A NZ PHE 214.A O no hydrogen 2.891 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 3.131 N/A GLU 220.A N LYS 216.A O no hydrogen 2.873 N/A ILE 221.A N GLU 217.A O no hydrogen 2.950 N/A GLU 222.A N MET 218.A O no hydrogen 3.230 N/A LYS 223.A N THR 219.A O no hydrogen 2.913 N/A TYR 224.A N GLU 220.A O no hydrogen 2.798 N/A ALA 225.A N ILE 221.A O no hydrogen 2.902 N/A SER 226.A N GLU 222.A O no hydrogen 3.175 N/A SER 226.A OG GLU 222.A O no hydrogen 3.101 N/A LYS 227.A N LYS 223.A O no hydrogen 3.292 N/A VAL 228.A N TYR 224.A O no hydrogen 3.018 N/A ASP 229.A N ALA 225.A O no hydrogen 3.012 N/A HIS 230.A N SER 226.A O no hydrogen 3.233 N/A VAL 231.A N LYS 227.A O no hydrogen 3.111 N/A MET 232.A N VAL 228.A O no hydrogen 3.162 N/A LEU 234.A N HIS 230.A O no hydrogen 3.133 N/A ALA 235.A N VAL 231.A O no hydrogen 2.793 N/A ARG 236.A N MET 232.A O no hydrogen 3.024 N/A LYS 237.A N GLN 233.A O no hydrogen 3.441 N/A GLU 238.A N LEU 234.A O no hydrogen 3.080 N/A ALA 239.A N ALA 235.A O no hydrogen 3.004 N/A PHE 240.A N ARG 236.A O no hydrogen 3.093 N/A ALA 241.A N LYS 237.A O no hydrogen 3.296 N/A ARG 242.A N GLU 238.A O no hydrogen 3.048 N/A ARG 242.A NE GLU 238.A OE2 no hydrogen 3.355 N/A ARG 242.A NH2 GLU 238.A OE2 no hydrogen 2.961 N/A ALA 243.A N ALA 239.A O no hydrogen 2.968 N/A GLY 244.A N PHE 240.A O no hydrogen 3.166 N/A PHE 245.A N ALA 241.A O no hydrogen 3.005 N/A PHE 246.A N ARG 242.A O no hydrogen 2.974 N/A GLY 247.A N ALA 243.A O no hydrogen 3.081 N/A ALA 248.A N GLY 244.A O no hydrogen 3.166 N/A THR 249.A N PHE 245.A O no hydrogen 2.793 N/A THR 249.A OG1 PHE 245.A O no hydrogen 3.023 N/A GLY 250.A N PHE 246.A O no hydrogen 2.985 N/A LEU 251.A N GLY 247.A O no hydrogen 2.939 N/A SER 252.A N ALA 248.A O no hydrogen 3.109 N/A SER 252.A OG ALA 248.A O no hydrogen 2.792 N/A GLY 253.A N THR 249.A O no hydrogen 2.993 N/A ASN 254.A N GLY 250.A O no hydrogen 2.962 N/A LEU 255.A N LEU 251.A O no hydrogen 2.827 N/A ILE 256.A N SER 252.A O no hydrogen 2.897 N/A VAL 257.A N GLY 253.A O no hydrogen 3.332 N/A LEU 258.A N ASN 254.A O no hydrogen 2.865 N/A SER 259.A N LEU 255.A O no hydrogen 3.101 N/A SER 259.A OG LEU 255.A O no hydrogen 2.783 N/A VAL 260.A N ILE 256.A O no hydrogen 3.139 N/A LEU 261.A N VAL 257.A O no hydrogen 2.966 N/A TYR 262.A N LEU 258.A O no hydrogen 2.868 N/A LYS 263.A N SER 259.A O no hydrogen 2.842 N/A LYS 263.A NZ ASN 160.A OD1 no hydrogen 3.282 N/A GLY 264.A N VAL 260.A O no hydrogen 2.865 N/A GLY 265.A N LEU 261.A O no hydrogen 2.816 N/A LEU 266.A N TYR 262.A O no hydrogen 2.947 N/A LEU 267.A N LYS 263.A O no hydrogen 3.017 N/A MET 268.A N GLY 264.A O no hydrogen 2.886 N/A GLY 269.A N GLY 265.A O no hydrogen 3.294 N/A SER 270.A N LEU 266.A O no hydrogen 3.111 N/A SER 270.A OG LEU 266.A O no hydrogen 2.740 N/A ALA 271.A N MET 268.A O no hydrogen 2.962 N/A HIS 272.A N LEU 267.A O no hydrogen 2.826 N/A MET 273.A N LEU 267.A O no hydrogen 3.292 N/A THR 274.A OG1 ASP 44.A OD1 no hydrogen 3.271 N/A THR 274.A OG1 ASP 44.A OD2 no hydrogen 2.756 N/A GLY 276.A N ASP 44.A OD1 no hydrogen 2.932 N/A GLU 277.A N THR 274.A OG1 no hydrogen 3.137 N/A LEU 278.A N THR 274.A O no hydrogen 3.030 N/A SER 279.A N VAL 275.A O no hydrogen 2.989 N/A SER 279.A OG VAL 275.A O no hydrogen 3.150 N/A SER 280.A N GLY 276.A O no hydrogen 2.893 N/A SER 280.A OG PRO 36.A O no hydrogen 2.977 N/A SER 280.A OG GLY 276.A O no hydrogen 3.234 N/A PHE 281.A N GLU 277.A O no hydrogen 3.127 N/A LEU 282.A N LEU 278.A O no hydrogen 2.951 N/A MET 283.A N SER 279.A O no hydrogen 2.957 N/A TYR 284.A N SER 280.A O no hydrogen 2.815 N/A TYR 284.A OH MET 33.A O no hydrogen 2.624 N/A ALA 285.A N PHE 281.A O no hydrogen 2.811 N/A PHE 286.A N LEU 282.A O no hydrogen 2.939 N/A TRP 287.A N MET 283.A O no hydrogen 3.054 N/A VAL 288.A N TYR 284.A O no hydrogen 2.983 N/A GLY 289.A N ALA 285.A O no hydrogen 3.155 N/A ILE 290.A N PHE 286.A O no hydrogen 3.159 N/A SER 291.A N TRP 287.A O no hydrogen 2.891 N/A SER 291.A OG TRP 287.A O no hydrogen 2.952 N/A ILE 292.A N VAL 288.A O no hydrogen 2.766 N/A GLY 293.A N GLY 289.A O no hydrogen 3.269 N/A GLY 294.A N ILE 290.A O no hydrogen 2.910 N/A LEU 295.A N SER 291.A O no hydrogen 3.023 N/A SER 296.A N ILE 292.A O no hydrogen 2.950 N/A SER 297.A N GLY 293.A O no hydrogen 2.992 N/A PHE 298.A N GLY 294.A O no hydrogen 2.950 N/A TYR 299.A N LEU 295.A O no hydrogen 2.930 N/A SER 300.A N SER 296.A O no hydrogen 3.228 N/A GLU 301.A N SER 297.A O no hydrogen 3.134 N/A LEU 302.A N PHE 298.A O no hydrogen 2.820 N/A MET 303.A N TYR 299.A O no hydrogen 3.044 N/A LYS 304.A N SER 300.A O no hydrogen 3.104 N/A LYS 304.A NZ GLU 301.A OE1 no hydrogen 2.962 N/A LYS 304.A NZ GLU 301.A OE2 no hydrogen 2.780 N/A GLY 305.A N GLU 301.A O no hydrogen 2.949 N/A LEU 306.A N LEU 302.A O no hydrogen 2.883 N/A GLY 307.A N MET 303.A O no hydrogen 2.935 N/A ALA 308.A N LYS 304.A O no hydrogen 3.026 N/A GLY 309.A N GLY 305.A O no hydrogen 2.810 N/A GLY 310.A N LEU 306.A O no hydrogen 3.094 N/A ARG 311.A NE ASP 125.A OD2 no hydrogen 2.848 N/A ARG 311.A NH2 ASP 125.A OD1 no hydrogen 2.898 N/A LEU 312.A N ALA 308.A O no hydrogen 3.199 N/A LEU 312.A N GLY 309.A O no hydrogen 3.104 N/A TRP 313.A N GLY 309.A O no hydrogen 2.911 N/A GLU 314.A N GLY 310.A O no hydrogen 3.254 N/A LEU 315.A N LEU 312.A O no hydrogen 3.068 N/A LEU 316.A N LEU 312.A O no hydrogen 2.878 N/A GLU 317.A N TRP 313.A O no hydrogen 3.111 N/A ARG 318.A N LEU 315.A O no hydrogen 3.225 N/A ARG 318.A NH1 GLN 105.A OE1 no hydrogen 2.686 N/A ARG 318.A NH1 GLU 106.A OE1 no hydrogen 2.940 N/A ARG 318.A NH1 GLU 106.A OE2 no hydrogen 3.395 N/A ARG 318.A NH2 GLU 106.A OE2 no hydrogen 3.312 N/A LYS 321.A N GLU 106.A OE1 no hydrogen 3.003 N/A VAL 328.A N GLN 407.A O no hydrogen 2.923 N/A SER 334.A N ASN 331.A OD1 no hydrogen 2.845 N/A SER 334.A OG ASN 331.A OD1 no hydrogen 3.551 N/A PHE 335.A N ASN 331.A O no hydrogen 3.035 N/A GLN 336.A N ASP 401.A OD1 no hydrogen 3.178 N/A GLN 336.A N ASP 401.A OD2 no hydrogen 2.952 N/A GLN 336.A NE2 LYS 333.A O no hydrogen 3.240 N/A GLY 337.A N ASP 401.A OD1 no hydrogen 2.998 N/A GLY 337.A N ASP 401.A OD2 no hydrogen 3.246 N/A ALA 338.A N ASP 401.A OD1 no hydrogen 3.065 N/A LEU 339.A N ILE 364.A O no hydrogen 2.989 N/A GLU 340.A N SER 399.A O no hydrogen 2.931 N/A PHE 341.A N LEU 362.A O no hydrogen 2.774 N/A LYS 342.A N THR 397.A O no hydrogen 2.904 N/A ASN 343.A N SER 361.A OG no hydrogen 2.857 N/A ASN 343.A ND2 ASP 359.A OD1 no hydrogen 2.869 N/A VAL 344.A N PHE 360.A O no hydrogen 2.883 N/A HIS 345.A N SER 395.A O no hydrogen 2.783 N/A PHE 346.A N PHE 357.A O no hydrogen 3.058 N/A TYR 348.A OH THR 382.A OG1 no hydrogen 2.870 N/A ARG 351.A N TYR 348.A O no hydrogen 3.274 N/A VAL 354.A N ARG 351.A O no hydrogen 3.287 N/A ILE 356.A N PHE 346.A O no hydrogen 2.773 N/A PHE 357.A N PHE 346.A O no hydrogen 2.993 N/A GLN 358.A N GLY 554.A O no hydrogen 2.804 N/A PHE 360.A N VAL 344.A O no hydrogen 2.856 N/A LEU 362.A N PHE 341.A O no hydrogen 3.025 N/A SER 363.A OG GLU 340.A OE2 no hydrogen 2.766 N/A ILE 364.A N LEU 339.A O no hydrogen 2.916 N/A SER 366.A OG GLN 336.A O no hydrogen 2.702 N/A GLY 367.A N THR 531.A OG1 no hydrogen 2.973 N/A SER 368.A N PRO 365.A O no hydrogen 3.158 N/A VAL 369.A N ASN 546.A OD1 no hydrogen 3.453 N/A THR 370.A N VAL 532.A O no hydrogen 2.780 N/A ALA 371.A N MET 547.A O no hydrogen 2.959 N/A LEU 372.A N VAL 534.A O no hydrogen 2.671 N/A VAL 373.A N ALA 549.A O no hydrogen 2.816 N/A SER 378.A N PRO 375.A O no hydrogen 3.101 N/A SER 378.A OG PRO 375.A O no hydrogen 2.664 N/A LYS 380.A NZ GLY 374.A O no hydrogen 3.001 N/A LYS 380.A NZ SER 378.A OG no hydrogen 3.112 N/A SER 381.A OG ASP 505.A OD2 no hydrogen 2.690 N/A THR 382.A OG1 TYR 348.A OH no hydrogen 2.870 N/A VAL 383.A N LYS 380.A O no hydrogen 3.369 N/A LEU 384.A N SER 381.A O no hydrogen 3.306 N/A SER 385.A OG SER 381.A O no hydrogen 3.567 N/A LEU 386.A N THR 382.A O no hydrogen 3.080 N/A LEU 387.A N VAL 383.A O no hydrogen 3.048 N/A LEU 388.A N LEU 384.A O no hydrogen 3.195 N/A ARG 389.A N LEU 386.A O no hydrogen 3.031 N/A ARG 389.A NE ASP 392.A OD1 no hydrogen 2.913 N/A ARG 389.A NE ASP 392.A OD2 no hydrogen 3.534 N/A ARG 389.A NH2 ASP 392.A OD2 no hydrogen 3.193 N/A LEU 390.A N SER 385.A O no hydrogen 2.897 N/A TYR 391.A OH ASP 111.A OD1 no hydrogen 3.371 N/A TYR 391.A OH ASP 111.A OD2 no hydrogen 2.694 N/A ALA 394.A N HIS 345.A O no hydrogen 2.781 N/A SER 395.A N HIS 345.A O no hydrogen 3.342 N/A THR 397.A N LYS 342.A O no hydrogen 3.015 N/A SER 399.A N GLU 340.A O no hydrogen 2.891 N/A LEU 400.A N HIS 403.A O no hydrogen 2.716 N/A ASP 401.A N ALA 338.A O no hydrogen 2.772 N/A HIS 403.A N LEU 400.A O no hydrogen 2.868 N/A HIS 403.A ND1 ASP 401.A O no hydrogen 3.199 N/A ILE 405.A N ILE 398.A O no hydrogen 2.863 N/A ARG 406.A N ASP 404.A OD1 no hydrogen 3.142 N/A ARG 406.A NE ASP 404.A OD1 no hydrogen 3.288 N/A ARG 406.A NE ASP 404.A OD2 no hydrogen 3.098 N/A ARG 406.A NH2 ASP 404.A OD2 no hydrogen 2.815 N/A GLN 407.A N ASP 404.A O no hydrogen 2.880 N/A LEU 408.A N ILE 405.A O no hydrogen 3.287 N/A ASN 409.A N VAL 328.A O no hydrogen 2.774 N/A ASN 409.A ND2 ASN 325.A OD1 no hydrogen 2.859 N/A TRP 412.A N ASN 409.A OD1 no hydrogen 3.074 N/A LEU 413.A N ASN 409.A O no hydrogen 2.860 N/A ARG 414.A N PRO 410.A O no hydrogen 3.056 N/A ARG 414.A NE LEU 388.A O no hydrogen 2.678 N/A ARG 414.A NH2 LEU 388.A O no hydrogen 3.506 N/A ARG 414.A NH2 ARG 389.A O no hydrogen 3.005 N/A SER 415.A N TRP 412.A O no hydrogen 2.853 N/A SER 415.A OG TRP 412.A O no hydrogen 2.547 N/A LYS 416.A N LEU 413.A O no hydrogen 3.280 N/A GLY 418.A N ILE 501.A O no hydrogen 2.943 N/A VAL 420.A N LEU 503.A O no hydrogen 3.111 N/A PHE 427.A N ASN 434.A OD1 no hydrogen 3.121 N/A CYS 429.A N PHE 427.A O no hydrogen 2.879 N/A ALA 432.A N PHE 470.A O no hydrogen 2.960 N/A GLU 433.A N SER 430.A OG no hydrogen 3.176 N/A ASN 434.A N SER 430.A O no hydrogen 3.050 N/A ASN 434.A ND2 PHE 427.A O no hydrogen 2.857 N/A ASN 434.A ND2 CYS 429.A O no hydrogen 3.657 N/A ASN 434.A ND2 SER 430.A O no hydrogen 3.381 N/A ILE 435.A N ILE 431.A O no hydrogen 2.888 N/A ALA 436.A N ALA 432.A O no hydrogen 2.795 N/A TYR 437.A N GLU 433.A O no hydrogen 3.261 N/A GLY 438.A N ILE 435.A O no hydrogen 3.189 N/A ALA 439.A N ALA 436.A O no hydrogen 3.061 N/A SER 444.A N ASP 441.A O no hydrogen 3.000 N/A GLU 449.A N THR 446.A OG1 no hydrogen 3.407 N/A ILE 450.A N THR 446.A O no hydrogen 3.384 N/A GLN 451.A N ALA 447.A O no hydrogen 3.101 N/A ARG 452.A N GLU 448.A O no hydrogen 3.001 N/A VAL 453.A N GLU 449.A O no hydrogen 3.358 N/A ALA 454.A N ILE 450.A O no hydrogen 3.234 N/A GLU 455.A N GLN 451.A O no hydrogen 3.087 N/A GLU 455.A N ARG 452.A O no hydrogen 3.105 N/A VAL 456.A N ARG 452.A O no hydrogen 3.268 N/A ALA 457.A N VAL 453.A O no hydrogen 3.073 N/A ASN 458.A N GLU 455.A O no hydrogen 3.167 N/A ASN 458.A ND2 LEU 518.A O no hydrogen 2.643 N/A ALA 459.A N ALA 454.A O no hydrogen 2.865 N/A VAL 460.A N ALA 454.A O no hydrogen 3.132 N/A ILE 463.A N ALA 459.A O no hydrogen 3.250 N/A ARG 464.A N VAL 460.A O no hydrogen 3.189 N/A ASN 465.A N ALA 461.A O no hydrogen 3.107 N/A PHE 466.A N ILE 463.A O no hydrogen 3.027 N/A GLY 469.A N PHE 466.A O no hydrogen 3.127 N/A ASN 471.A N GLN 468.A O no hydrogen 3.131 N/A THR 472.A N GLY 469.A O no hydrogen 3.394 N/A THR 472.A OG1 GLY 469.A O no hydrogen 2.758 N/A VAL 474.A N CYS 429.A O no hydrogen 2.933 N/A LYS 477.A N SER 428.A OG no hydrogen 3.147 N/A VAL 479.A N VAL 473.A O no hydrogen 2.870 N/A SER 482.A N GLN 485.A OE1 no hydrogen 2.974 N/A SER 482.A OG GLN 485.A OE1 no hydrogen 3.319 N/A GLN 485.A N SER 482.A OG no hydrogen 3.333 N/A LYS 486.A N SER 482.A O no hydrogen 3.015 N/A GLN 487.A N GLY 483.A O no hydrogen 2.995 N/A GLN 487.A NE2 SER 421.A O no hydrogen 3.448 N/A ARG 488.A N GLY 484.A O no hydrogen 3.124 N/A ARG 488.A NH1 ASN 515.A OD1 no hydrogen 2.966 N/A ARG 488.A NH2 ASN 515.A OD1 no hydrogen 3.098 N/A ILE 489.A N GLN 485.A O no hydrogen 3.112 N/A ALA 490.A N LYS 486.A O no hydrogen 2.979 N/A ILE 491.A N GLN 487.A O no hydrogen 2.884 N/A ALA 492.A N ARG 488.A O no hydrogen 2.942 N/A ARG 493.A N ILE 489.A O no hydrogen 2.894 N/A ARG 493.A NH1 ILE 425.A O no hydrogen 3.297 N/A ARG 493.A NH2 ILE 425.A O no hydrogen 3.102 N/A ALA 494.A N ALA 490.A O no hydrogen 2.925 N/A LEU 495.A N ILE 491.A O no hydrogen 2.848 N/A LEU 496.A N ALA 492.A O no hydrogen 3.020 N/A LYS 497.A N ARG 493.A O no hydrogen 3.083 N/A LYS 497.A NZ ARG 414.A O no hydrogen 2.890 N/A ASN 498.A N ALA 494.A O no hydrogen 2.897 N/A LYS 500.A NZ GLY 529.A O no hydrogen 3.426 N/A ILE 501.A N LYS 416.A O no hydrogen 3.032 N/A LEU 502.A N THR 531.A O no hydrogen 2.762 N/A LEU 503.A N GLY 418.A O no hydrogen 2.845 N/A LEU 504.A N LEU 533.A O no hydrogen 2.940 N/A ASP 505.A N VAL 420.A O no hydrogen 3.018 N/A GLU 506.A N ILE 535.A O no hydrogen 3.206 N/A GLU 516.A N ASP 512.A O no hydrogen 3.033 N/A VAL 519.A N ASN 515.A O no hydrogen 2.950 N/A GLU 521.A N TYR 517.A O no hydrogen 3.118 N/A ALA 522.A N LEU 518.A O no hydrogen 3.330 N/A LEU 523.A N VAL 519.A O no hydrogen 2.792 N/A ASP 524.A N GLN 520.A O no hydrogen 3.183 N/A ARG 525.A N GLU 521.A O no hydrogen 3.241 N/A ARG 525.A NH1 VAL 456.A O no hydrogen 2.827 N/A ARG 525.A NH1 ASN 458.A OD1 no hydrogen 2.723 N/A LEU 526.A N ALA 522.A O no hydrogen 3.080 N/A MET 527.A N LEU 523.A O no hydrogen 2.877 N/A ARG 530.A NE PRO 499.A O no hydrogen 2.993 N/A ARG 530.A NH1 LEU 526.A O no hydrogen 2.579 N/A ARG 530.A NH2 ASN 498.A OD1 no hydrogen 2.677 N/A THR 531.A N LYS 500.A O no hydrogen 2.883 N/A THR 531.A OG1 GLY 337.A O no hydrogen 3.124 N/A VAL 532.A N SER 368.A O no hydrogen 3.244 N/A LEU 533.A N LEU 502.A O no hydrogen 2.990 N/A VAL 534.A N THR 370.A O no hydrogen 2.882 N/A ILE 535.A N LEU 504.A O no hydrogen 2.750 N/A ALA 536.A N LEU 372.A O no hydrogen 3.420 N/A HIS 537.A N GLU 506.A OE1 no hydrogen 2.891 N/A ARG 538.A N GLU 506.A OE1 no hydrogen 3.335 N/A THR 541.A N ARG 538.A O no hydrogen 3.344 N/A LYS 543.A N LEU 539.A O no hydrogen 3.227 N/A ASN 544.A N SER 540.A O no hydrogen 3.367 N/A ALA 545.A N ILE 542.A O no hydrogen 3.393 N/A MET 547.A N VAL 369.A O no hydrogen 3.426 N/A VAL 548.A N GLY 560.A O no hydrogen 2.805 N/A ALA 549.A N ALA 371.A O no hydrogen 2.874 N/A VAL 550.A N GLU 558.A O no hydrogen 2.869 N/A LEU 551.A N VAL 373.A O no hydrogen 2.667 N/A ASP 552.A N LYS 555.A O no hydrogen 3.067 N/A THR 557.A N VAL 550.A O no hydrogen 2.971 N/A TYR 559.A OH SER 363.A O no hydrogen 3.216 N/A GLY 560.A N VAL 548.A O no hydrogen 3.039 N/A LEU 565.A N LYS 561.A O no hydrogen 2.858 N/A LEU 566.A N HIS 562.A O no hydrogen 3.131 N/A SER 567.A N GLU 563.A O no hydrogen 2.848 N/A SER 567.A OG GLU 563.A O no hydrogen 3.090 N/A