Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLY 38.A O no hydrogen 3.337 N/A ALA 5.A N VAL 40.A O no hydrogen 2.901 N/A TRP 7.A NE1 ASP 52.A OD2 no hydrogen 2.649 N/A PHE 14.A N ALA 35.A O no hydrogen 2.955 N/A VAL 15.A N ARG 57.A O no hydrogen 2.730 N/A GLY 16.A N ALA 33.A O no hydrogen 2.992 N/A VAL 18.A N ALA 31.A O no hydrogen 3.016 N/A SER 20.A N ASP 28.A O no hydrogen 2.977 N/A ARG 21.A NE GLU 23.A OE1 no hydrogen 2.950 N/A ARG 21.A NH2 GLU 23.A OE2 no hydrogen 2.824 N/A LYS 22.A NZ ASP 286.A OD1 no hydrogen 3.376 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.660 N/A TRP 26.A N GLU 23.A O no hydrogen 2.963 N/A ASP 28.A N SER 20.A OG no hydrogen 3.028 N/A LEU 29.A N TYR 47.A OH no hydrogen 2.866 N/A LEU 30.A N VAL 18.A O no hydrogen 2.862 N/A ALA 31.A N VAL 18.A O no hydrogen 3.429 N/A ALA 33.A N GLY 16.A O no hydrogen 2.952 N/A ALA 34.A N HIS 41.A O no hydrogen 2.737 N/A ALA 35.A N PHE 14.A O no hydrogen 2.821 N/A ARG 36.A N ARG 39.A O no hydrogen 2.879 N/A GLY 37.A N GLU 118.A OE2 no hydrogen 3.382 N/A ARG 39.A N ARG 36.A O no hydrogen 3.045 N/A VAL 40.A N GLU 3.A O no hydrogen 3.005 N/A HIS 41.A N ALA 34.A O no hydrogen 2.540 N/A HIS 41.A ND1 PRO 6.A O no hydrogen 2.744 N/A ARG 42.A NE GLU 109.A OE2 no hydrogen 2.800 N/A ARG 42.A NH1 GLU 4.A OE2 no hydrogen 3.004 N/A ARG 42.A NH2 GLU 109.A OE1 no hydrogen 2.792 N/A ARG 42.A NH2 GLU 109.A OE2 no hydrogen 3.463 N/A ALA 43.A N LEU 32.A O no hydrogen 2.854 N/A TYR 47.A OH ASP 28.A OD1 no hydrogen 2.484 N/A ALA 49.A N GLU 45.A O no hydrogen 2.784 N/A LEU 50.A N PRO 46.A O no hydrogen 3.030 N/A LEU 50.A N TYR 47.A O no hydrogen 3.200 N/A ARG 51.A N LYS 48.A O no hydrogen 3.132 N/A ARG 51.A NH1 TYR 47.A O no hydrogen 2.801 N/A ASP 52.A N ALA 49.A O no hydrogen 2.880 N/A LEU 53.A N LEU 50.A O no hydrogen 3.309 N/A ALA 56.A N PRO 76.A O no hydrogen 2.855 N/A ARG 57.A NE.B ASP 79.A OD2 no hydrogen 3.252 N/A ARG 57.A NH1.B GLY 12.A O no hydrogen 2.566 N/A ARG 57.A NH2.B ASP 79.A OD2 no hydrogen 3.234 N/A GLY 58.A N ASP 79.A O no hydrogen 2.830 N/A LEU 59.A N SER 117.A OG no hydrogen 3.113 N/A ALA 61.A N GLY 58.A O no hydrogen 3.183 N/A ALA 61.A N ASP 80.A OD2 no hydrogen 3.243 N/A LYS 62.A NZ GLU 153.A OE2 no hydrogen 2.838 N/A LYS 62.A NZ PHE 272.A O no hydrogen 3.015 N/A ASP 63.A N LEU 60.A O no hydrogen 3.055 N/A SER 65.A N ALA 61.A O no hydrogen 2.997 N/A SER 65.A OG LEU 75.A O no hydrogen 2.705 N/A VAL 66.A N LYS 62.A O no hydrogen 2.849 N/A LEU 67.A N ASP 63.A O no hydrogen 3.186 N/A ALA 68.A N LEU 64.A O no hydrogen 2.976 N/A LEU 69.A N SER 65.A O no hydrogen 2.840 N/A ARG 70.A N VAL 66.A O no hydrogen 2.866 N/A ARG 70.A NE GLU 71.A OE2 no hydrogen 2.825 N/A ARG 70.A NH1 ALA 27.A O no hydrogen 2.721 N/A ARG 70.A NH2 ALA 27.A O no hydrogen 2.957 N/A ARG 70.A NH2 GLU 71.A OE2 no hydrogen 3.157 N/A GLU 71.A N LEU 67.A O no hydrogen 3.174 N/A GLU 71.A N ALA 68.A O no hydrogen 2.949 N/A GLY 72.A N LEU 69.A O no hydrogen 2.871 N/A LEU 73.A N ALA 68.A O no hydrogen 2.842 N/A LEU 75.A N LEU 73.A O no hydrogen 2.887 N/A GLY 78.A N ALA 56.A O no hydrogen 2.682 N/A ASP 80.A N TYR 138.A OH no hydrogen 3.383 N/A MET 82.A N ASP 80.A OD1 no hydrogen 2.785 N/A LEU 83.A N ASP 80.A O no hydrogen 2.960 N/A ALA 85.A N PRO 81.A O no hydrogen 3.031 N/A TYR 86.A N MET 82.A O no hydrogen 2.908 N/A TYR 86.A OH THR 277.A O no hydrogen 2.668 N/A LEU 87.A N LEU 83.A O no hydrogen 3.132 N/A LEU 88.A N LEU 84.A O no hydrogen 3.042 N/A ASP 89.A N ALA 85.A O no hydrogen 2.876 N/A SER 91.A N ASP 89.A OD1 no hydrogen 2.942 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 2.703 N/A ASN 92.A N ASP 89.A O no hydrogen 2.812 N/A ASN 92.A ND2 ALA 85.A O no hydrogen 3.010 N/A ASN 92.A ND2 TYR 102.A OH no hydrogen 3.031 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.739 N/A GLY 97.A N THR 94.A OG1 no hydrogen 2.847 N/A VAL 98.A N THR 94.A O no hydrogen 2.929 N/A ALA 99.A N PRO 95.A O no hydrogen 2.915 N/A ARG 100.A N GLU 96.A O no hydrogen 3.201 N/A ARG 101.A N GLY 97.A O no hydrogen 2.999 N/A ARG 101.A NH1 ASP 89.A OD2 no hydrogen 3.118 N/A ARG 101.A NH1 ASN 92.A OD1 no hydrogen 3.223 N/A ARG 101.A NH2 ASP 89.A OD2 no hydrogen 3.440 N/A TYR 102.A N VAL 98.A O no hydrogen 2.929 N/A GLY 103.A N ALA 99.A O no hydrogen 2.877 N/A GLY 104.A N ALA 99.A O no hydrogen 2.907 N/A THR 107.A OG1 GLU 112.A OE1 no hydrogen 2.609 N/A GLY 111.A N GLU 109.A OE2 no hydrogen 2.960 N/A GLU 112.A N GLU 109.A OE1 no hydrogen 2.915 N/A ARG 113.A N GLU 109.A O no hydrogen 2.931 N/A ARG 113.A NE THR 107.A O no hydrogen 2.697 N/A ARG 113.A NH1 PHE 17.A O no hydrogen 2.891 N/A ARG 113.A NH2 THR 107.A O no hydrogen 3.028 N/A ALA 114.A N ALA 110.A O no hydrogen 2.812 N/A ALA 115.A N GLY 111.A O no hydrogen 2.862 N/A LEU 116.A N GLU 112.A O no hydrogen 2.875 N/A SER 117.A N ARG 113.A O no hydrogen 2.999 N/A SER 117.A OG VAL 15.A O no hydrogen 3.484 N/A SER 117.A OG ARG 113.A O no hydrogen 2.868 N/A GLU 118.A N ALA 114.A O no hydrogen 3.082 N/A ARG 119.A N ALA 115.A O no hydrogen 3.119 N/A ARG 119.A NH2 GLY 103.A O no hydrogen 3.462 N/A LEU 120.A N LEU 116.A O no hydrogen 2.872 N/A PHE 121.A N SER 117.A O no hydrogen 3.038 N/A ALA 122.A N GLU 118.A O no hydrogen 3.118 N/A ASN 123.A N ARG 119.A O no hydrogen 3.069 N/A ASN 123.A ND2 TYR 102.A O no hydrogen 2.922 N/A LEU 124.A N LEU 120.A O no hydrogen 2.854 N/A TRP 125.A N PHE 121.A O no hydrogen 2.896 N/A LEU 128.A N LEU 124.A O no hydrogen 2.798 N/A GLU 129.A N GLY 126.A O no hydrogen 3.156 N/A ARG 133.A NH2.B GLU 422.A OE1 no hydrogen 2.828 N/A LEU 135.A N GLU 131.A O no hydrogen 2.826 N/A TRP 136.A N GLU 132.A O no hydrogen 2.890 N/A LEU 137.A N ARG 133.A O no hydrogen 2.926 N/A TYR 138.A N LEU 134.A O no hydrogen 2.812 N/A TYR 138.A OH ASP 79.A OD1 no hydrogen 2.554 N/A ARG 139.A N LEU 135.A O no hydrogen 2.974 N/A GLU 140.A N TRP 136.A O no hydrogen 2.816 N/A VAL 141.A N LEU 137.A O no hydrogen 3.013 N/A GLU 142.A N LEU 137.A O no hydrogen 2.879 N/A ARG 143.A N TYR 138.A O no hydrogen 2.896 N/A ARG 143.A NH1 ASP 79.A OD1 no hydrogen 2.770 N/A LEU 145.A N VAL 141.A O no hydrogen 2.863 N/A SER 146.A N GLU 142.A O no hydrogen 2.979 N/A SER 146.A OG ARG 143.A O no hydrogen 2.541 N/A ALA 147.A N PRO 144.A O no hydrogen 3.024 N/A VAL 148.A N PRO 144.A O no hydrogen 3.357 N/A LEU 149.A N LEU 145.A O no hydrogen 2.785 N/A ALA 150.A N SER 146.A O no hydrogen 3.027 N/A HIS 151.A N ALA 147.A O no hydrogen 3.211 N/A MET 152.A N VAL 148.A O no hydrogen 3.011 N/A GLU 153.A N LEU 149.A O no hydrogen 2.866 N/A ALA 154.A N ALA 150.A O no hydrogen 3.063 N/A THR 155.A N HIS 151.A O no hydrogen 3.009 N/A THR 155.A OG1 HIS 151.A O no hydrogen 2.618 N/A GLY 156.A N MET 152.A O no hydrogen 3.139 N/A VAL 157.A N LEU 268.A O no hydrogen 2.941 N/A ARG 158.A NH1 ALA 308.A O no hydrogen 2.803 N/A ARG 158.A NH1 GLU 310.A OE2.B no hydrogen 2.762 N/A ARG 158.A NH2 GLU 310.A OE2.B no hydrogen 2.617 N/A ASP 160.A N ALA 305.A O no hydrogen 2.673 N/A TYR 163.A N ASP 160.A OD1 no hydrogen 3.243 N/A TYR 163.A OH ARG 301.A O no hydrogen 2.790 N/A LEU 164.A N ASP 160.A O no hydrogen 3.137 N/A ARG 165.A N VAL 161.A O no hydrogen 2.915 N/A ARG 165.A NH2 ASP 259.A OD1 no hydrogen 3.133 N/A ALA 166.A N ALA 162.A O no hydrogen 3.050 N/A LEU 167.A N TYR 163.A O no hydrogen 2.851 N/A SER 168.A N LEU 164.A O no hydrogen 2.830 N/A SER 168.A OG ASP 255.A OD1 no hydrogen 2.840 N/A LEU 169.A N ARG 165.A O no hydrogen 3.475 N/A GLU 170.A N ALA 166.A O no hydrogen 3.277 N/A VAL 171.A N LEU 167.A O no hydrogen 2.972 N/A ALA 172.A N SER 168.A O no hydrogen 2.809 N/A GLU 173.A N LEU 169.A O no hydrogen 3.173 N/A GLU 174.A N GLU 170.A O no hydrogen 3.249 N/A ILE 175.A N VAL 171.A O no hydrogen 2.922 N/A ALA 176.A N ALA 172.A O no hydrogen 3.029 N/A ARG 177.A N GLU 173.A O no hydrogen 3.108 N/A ARG 177.A NE GLU 174.A OE1 no hydrogen 3.184 N/A ARG 177.A NH1 GLU 174.A OE1 no hydrogen 2.713 N/A LEU 178.A N GLU 174.A O no hydrogen 2.958 N/A GLU 179.A N ILE 175.A O no hydrogen 2.858 N/A ALA 180.A N ALA 176.A O no hydrogen 3.057 N/A GLU 181.A N ARG 177.A O no hydrogen 3.098 N/A VAL 182.A N LEU 178.A O no hydrogen 2.961 N/A PHE 183.A N GLU 179.A O no hydrogen 2.902 N/A ARG 184.A N ALA 180.A O no hydrogen 2.988 N/A ARG 184.A NE GLU 181.A OE1 no hydrogen 2.957 N/A ARG 184.A NH2 GLU 181.A OE2 no hydrogen 2.508 N/A LEU 185.A N GLU 181.A O no hydrogen 3.005 N/A ALA 186.A N VAL 182.A O no hydrogen 2.789 N/A GLY 187.A N PHE 183.A O no hydrogen 2.863 N/A GLY 187.A N ARG 184.A O no hydrogen 3.102 N/A HIS 188.A ND1 PRO 189.A O no hydrogen 3.031 N/A HIS 188.A NE2 GLU 205.A OE1 no hydrogen 2.655 N/A ASN 191.A N GLN 197.A OE1 no hydrogen 2.987 N/A ASN 193.A N ASN 191.A OD1 no hydrogen 2.877 N/A SER 194.A N ASN 191.A O no hydrogen 2.983 N/A ARG 195.A NH1 ASP 196.A OD1 no hydrogen 2.835 N/A ARG 195.A NH1 GLU 199.A OE1 no hydrogen 2.827 N/A ARG 195.A NH2 ARG 220.A O no hydrogen 2.804 N/A GLN 197.A N SER 194.A OG no hydrogen 3.255 N/A LEU 198.A N SER 194.A O no hydrogen 2.950 N/A GLU 199.A N ARG 195.A O no hydrogen 2.877 N/A ARG 200.A N ASP 196.A O no hydrogen 3.366 N/A VAL 201.A N GLN 197.A O no hydrogen 3.149 N/A LEU 202.A N LEU 198.A O no hydrogen 2.909 N/A PHE 203.A N GLU 199.A O no hydrogen 2.958 N/A ASP 204.A N ARG 200.A O no hydrogen 2.737 N/A GLU 205.A N ARG 200.A O no hydrogen 2.898 N/A LEU 206.A N VAL 201.A O no hydrogen 2.798 N/A LEU 208.A N LEU 202.A O no hydrogen 3.006 N/A THR 214.A N LYS 219.A O no hydrogen 2.755 N/A GLY 218.A N THR 214.A O no hydrogen 3.201 N/A LYS 219.A N THR 214.A OG1 no hydrogen 2.901 N/A LYS 219.A NZ.B THR 217.A OG1 no hydrogen 2.745 N/A ARG 220.A N GLU 199.A OE2 no hydrogen 3.006 N/A ARG 220.A NE GLU 199.A OE2 no hydrogen 2.803 N/A ARG 220.A NH1 ASP 204.A OD1 no hydrogen 2.773 N/A ARG 220.A NH2 GLU 199.A OE2 no hydrogen 3.337 N/A ARG 220.A NH2 ASP 204.A OD1 no hydrogen 3.456 N/A ARG 220.A NH2 ASP 204.A OD2 no hydrogen 2.985 N/A SER 221.A N GLY 212.A O no hydrogen 2.821 N/A SER 223.A N SER 221.A OG no hydrogen 3.126 N/A VAL 226.A N SER 223.A OG no hydrogen 3.313 N/A LEU 227.A N SER 223.A O no hydrogen 2.950 N/A GLU 228.A N ALA 224.A O no hydrogen 2.719 N/A ALA 229.A N ALA 225.A O no hydrogen 3.210 N/A LEU 230.A N VAL 226.A O no hydrogen 3.102 N/A LEU 230.A N LEU 227.A O no hydrogen 2.848 N/A ARG 231.A N GLU 228.A O no hydrogen 3.131 N/A ARG 231.A NE GLU 238.A OE1 no hydrogen 2.523 N/A ARG 231.A NH2 GLU 238.A OE1 no hydrogen 3.201 N/A ALA 233.A N LEU 230.A O no hydrogen 3.068 N/A ILE 236.A N HIS 234.A ND1 no hydrogen 3.050 N/A VAL 237.A N HIS 234.A O no hydrogen 3.155 N/A ILE 240.A N ILE 236.A O no hydrogen 3.007 N/A LEU 241.A N VAL 237.A O no hydrogen 2.999 N/A GLN 242.A N GLU 238.A O no hydrogen 3.051 N/A GLN 242.A NE2 GLU 238.A OE2 no hydrogen 2.954 N/A TYR 243.A N LYS 239.A O no hydrogen 2.858 N/A TYR 243.A OH ASN 193.A OD1 no hydrogen 2.689 N/A ARG 244.A N ILE 240.A O no hydrogen 2.805 N/A ARG 244.A NH1 THR 222.A O no hydrogen 2.813 N/A ARG 244.A NH2 THR 222.A O no hydrogen 3.419 N/A ARG 244.A NH2 THR 222.A OG1 no hydrogen 2.866 N/A GLU 245.A N LEU 241.A O no hydrogen 3.059 N/A LEU 246.A N GLN 242.A O no hydrogen 3.090 N/A THR 247.A N TYR 243.A O no hydrogen 2.989 N/A THR 247.A OG1 TYR 243.A O no hydrogen 2.706 N/A THR 247.A OG1 ARG 244.A O no hydrogen 3.322 N/A LYS 248.A N ARG 244.A O no hydrogen 2.976 N/A LEU 249.A N GLU 245.A O no hydrogen 3.108 N/A LYS 250.A N LEU 246.A O no hydrogen 2.866 N/A LYS 250.A NZ ASP 255.A OD2 no hydrogen 2.844 N/A SER 251.A N THR 247.A O no hydrogen 2.857 N/A SER 251.A OG THR 247.A O no hydrogen 2.771 N/A SER 251.A OG LYS 248.A O no hydrogen 3.282 N/A THR 252.A N LYS 248.A O no hydrogen 3.016 N/A THR 252.A OG1 LYS 248.A O no hydrogen 2.940 N/A TYR 253.A N LEU 249.A O no hydrogen 3.108 N/A TYR 253.A OH ASN 291.A O no hydrogen 2.756 N/A ILE 254.A N LEU 249.A O no hydrogen 3.149 N/A ASP 255.A N LYS 250.A O no hydrogen 2.986 N/A LEU 257.A N TYR 253.A O no hydrogen 3.192 N/A ASP 259.A N PRO 256.A O no hydrogen 3.096 N/A LEU 260.A N LEU 257.A O no hydrogen 2.794 N/A HIS 262.A N ARG 267.A O no hydrogen 2.979 N/A HIS 262.A NE2 MET 25.A O no hydrogen 3.061 N/A ARG 264.A N HIS 262.A ND1 no hydrogen 3.000 N/A ARG 264.A NH1 GLU 71.A OE2 no hydrogen 2.821 N/A THR 265.A OG1 HIS 269.A NE2 no hydrogen 2.670 N/A GLY 266.A N HIS 262.A O no hydrogen 2.857 N/A ARG 267.A N THR 265.A OG1 no hydrogen 2.997 N/A ARG 267.A NE THR 155.A O no hydrogen 3.087 N/A ARG 267.A NH1 GLU 491.A OE1 no hydrogen 3.550 N/A ARG 267.A NH1 GLU 491.A OE2 no hydrogen 3.540 N/A ARG 267.A NH2 GLY 156.A O no hydrogen 2.891 N/A ARG 267.A NH2 GLU 491.A OE2 no hydrogen 2.887 N/A LEU 268.A N VAL 157.A O no hydrogen 2.843 N/A HIS 269.A ND1 GLU 153.A O no hydrogen 2.778 N/A HIS 269.A NE2 THR 265.A OG1 no hydrogen 2.670 N/A THR 270.A OG1 ARG 271.A O no hydrogen 3.459 N/A THR 270.A OG1 SER 284.A OG no hydrogen 2.547 N/A THR 270.A OG1 SER 285.A O no hydrogen 3.430 N/A THR 270.A OG1 PRO 287.A O no hydrogen 2.646 N/A ARG 271.A N SER 285.A O no hydrogen 3.020 N/A ARG 271.A NH2 ASP 63.A OD1 no hydrogen 3.231 N/A PHE 272.A N GLU 153.A OE2 no hydrogen 2.824 N/A ASN 273.A N SER 283.A O no hydrogen 2.904 N/A ASN 273.A ND2 SER 283.A OG no hydrogen 3.043 N/A ASN 273.A ND2 SER 285.A OG no hydrogen 2.961 N/A GLN 274.A NE2 GLU 142.A O no hydrogen 2.910 N/A GLN 274.A NE2 GLU 142.A OE1 no hydrogen 2.854 N/A THR 275.A OG1 THR 93.A O no hydrogen 3.354 N/A THR 277.A OG1 TYR 86.A OH no hydrogen 3.305 N/A THR 277.A OG1 ARG 281.A O no hydrogen 2.705 N/A THR 279.A OG1 GLN 455.A OE1 no hydrogen 2.678 N/A GLY 280.A N THR 277.A OG1 no hydrogen 3.233 N/A SER 283.A N ASN 273.A O no hydrogen 3.225 N/A SER 284.A OG THR 270.A OG1 no hydrogen 2.547 N/A SER 285.A N ARG 271.A O no hydrogen 3.045 N/A SER 285.A OG ASP 286.A OD2 no hydrogen 2.715 N/A LEU 289.A N SER 284.A OG no hydrogen 2.948 N/A GLN 290.A N ASN 288.A OD1 no hydrogen 2.780 N/A GLN 290.A NE2 GLN 483.A O no hydrogen 2.910 N/A THR 296.A OG1 GLU 245.A OE2 no hydrogen 2.844 N/A GLY 299.A N THR 296.A OG1 no hydrogen 3.179 N/A GLN 300.A N THR 296.A O no hydrogen 2.772 N/A GLN 300.A NE2 VAL 294.A O no hydrogen 3.223 N/A GLN 300.A NE2 ARG 295.A O no hydrogen 3.421 N/A ARG 301.A N PRO 297.A O no hydrogen 3.036 N/A ARG 301.A NH1 GLU 170.A OE2 no hydrogen 3.045 N/A ARG 301.A NH2 GLU 170.A OE1 no hydrogen 2.910 N/A ARG 301.A NH2 GLU 170.A OE2 no hydrogen 3.167 N/A ILE 302.A N LEU 298.A O no hydrogen 3.036 N/A ARG 303.A N GLY 299.A O no hydrogen 2.923 N/A ARG 303.A NE PRO 293.A O no hydrogen 2.936 N/A ARG 303.A NH1 ILE 292.A O no hydrogen 2.682 N/A ARG 304.A N GLN 300.A O no hydrogen 3.175 N/A ALA 305.A N ILE 302.A O no hydrogen 2.947 N/A PHE 306.A N ARG 303.A O no hydrogen 3.230 N/A ILE 307.A N ARG 158.A O no hydrogen 3.123 N/A ALA 308.A N GLU 526.A O no hydrogen 3.141 N/A GLU 309.A N GLU 491.A OE1 no hydrogen 2.751 N/A GLU 310.A N GLU 310.A OE1.A no hydrogen 2.609 N/A TRP 312.A N GLU 309.A O no hydrogen 2.915 N/A LEU 313.A N ALA 492.A O no hydrogen 2.798 N/A LEU 314.A N GLY 525.A O no hydrogen 2.718 N/A VAL 315.A N LEU 490.A O no hydrogen 2.898 N/A ALA 316.A N GLY 523.A O no hydrogen 2.784 N/A LEU 317.A N LEU 488.A O no hydrogen 2.870 N/A ASP 318.A N.A GLU 521.A O no hydrogen 2.901 N/A ASP 318.A N.B GLU 521.A O no hydrogen 2.882 N/A TYR 319.A N ASP 486.A O no hydrogen 2.957 N/A TYR 319.A OH MET 508.A O no hydrogen 2.643 N/A SER 320.A N GLU 519.A O no hydrogen 2.863 N/A ARG 325.A N GLN 321.A O no hydrogen 3.167 N/A ARG 325.A NE SER 320.A O no hydrogen 2.837 N/A ARG 325.A NH1 PRO 517.A O no hydrogen 3.049 N/A VAL 326.A N ILE 322.A O no hydrogen 2.956 N/A LEU 327.A N GLU 323.A O no hydrogen 2.927 N/A ALA 328.A N LEU 324.A O no hydrogen 2.911 N/A HIS 329.A N ARG 325.A O no hydrogen 3.037 N/A LEU 330.A N VAL 326.A O no hydrogen 2.819 N/A SER 331.A N LEU 327.A O no hydrogen 2.825 N/A SER 331.A OG LEU 327.A O no hydrogen 2.739 N/A SER 331.A OG ALA 328.A O no hydrogen 3.420 N/A GLY 332.A N ALA 328.A O no hydrogen 2.921 N/A ASP 333.A N SER 331.A OG no hydrogen 3.122 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.550 N/A ASN 335.A ND2 SER 400.A O no hydrogen 2.925 N/A LEU 336.A N ASP 333.A OD2 no hydrogen 2.879 N/A ILE 337.A N ASP 333.A O no hydrogen 3.078 N/A ARG 338.A N GLU 334.A O no hydrogen 2.826 N/A VAL 339.A N ASN 335.A O no hydrogen 2.959 N/A PHE 340.A N LEU 336.A O no hydrogen 3.306 N/A PHE 340.A N ILE 337.A O no hydrogen 3.127 N/A GLN 341.A N ILE 337.A O no hydrogen 2.914 N/A GLN 341.A NE2 ALA 515.A O no hydrogen 3.119 N/A GLU 342.A N ARG 338.A O no hydrogen 2.867 N/A GLY 343.A N VAL 339.A O no hydrogen 3.325 N/A ARG 344.A N VAL 339.A O no hydrogen 2.941 N/A ARG 344.A NE GLU 349.A OE2 no hydrogen 3.140 N/A ARG 344.A NH2 GLU 349.A OE1 no hydrogen 3.153 N/A ILE 346.A N GLN 321.A OE1 no hydrogen 3.268 N/A THR 350.A N ILE 346.A O no hydrogen 3.259 N/A ALA 351.A N HIS 347.A O no hydrogen 3.274 N/A SER 352.A N THR 348.A O no hydrogen 3.317 N/A MET 354.A N THR 350.A O no hydrogen 3.015 N/A LEU 358.A N ASP 356.A OD1 no hydrogen 3.030 N/A ARG 360.A N ASP 356.A O no hydrogen 3.098 N/A ARG 360.A NE THR 348.A OG1 no hydrogen 3.411 N/A ARG 361.A N PRO 357.A O no hydrogen 3.278 N/A ALA 363.A N ARG 360.A O no hydrogen 3.171 N/A LYS 364.A N ARG 361.A O no hydrogen 2.864 N/A ASN 367.A N ALA 363.A O no hydrogen 2.974 N/A ASN 367.A ND2 THR 350.A OG1 no hydrogen 2.459 N/A PHE 368.A N LYS 364.A O no hydrogen 3.201 N/A GLY 369.A N THR 365.A O no hydrogen 2.682 N/A VAL 370.A N ILE 366.A O no hydrogen 2.840 N/A LEU 371.A N ASN 367.A O no hydrogen 3.135 N/A TYR 372.A N PHE 368.A O no hydrogen 3.132 N/A TYR 372.A OH GLU 323.A OE1 no hydrogen 2.897 N/A MET 374.A N GLY 369.A O no hydrogen 3.147 N/A ARG 378.A N SER 375.A OG no hydrogen 3.268 N/A LEU 379.A N SER 375.A O no hydrogen 3.013 N/A SER 380.A N ALA 376.A O no hydrogen 2.613 N/A SER 380.A OG ILE 385.A O no hydrogen 3.062 N/A GLN 381.A N HIS 377.A O no hydrogen 3.314 N/A GLU 382.A N ARG 378.A O no hydrogen 2.887 N/A GLU 382.A N LEU 379.A O no hydrogen 3.256 N/A LEU 383.A N LEU 379.A O no hydrogen 2.836 N/A ILE 385.A N SER 380.A O no hydrogen 3.135 N/A PHE 393.A N GLN 391.A O no hydrogen 2.815 N/A SER 400.A N ARG 396.A O no hydrogen 2.648 N/A SER 400.A OG ARG 396.A O no hydrogen 3.374 N/A SER 400.A OG TYR 397.A O no hydrogen 3.219 N/A PHE 401.A N TYR 397.A O no hydrogen 2.792 N/A LYS 403.A N ASP 333.A OD1 no hydrogen 2.953 N/A VAL 404.A N PHE 401.A O no hydrogen 2.977 N/A ARG 405.A NH2 GLU 409.A OE2 no hydrogen 3.493 N/A ALA 406.A N PRO 402.A O no hydrogen 3.446 N/A TRP 407.A N LYS 403.A O no hydrogen 2.879 N/A ILE 408.A N VAL 404.A O no hydrogen 2.864 N/A GLU 409.A N ARG 405.A O no hydrogen 2.859 N/A LYS 410.A N ALA 406.A O no hydrogen 2.953 N/A THR 411.A N TRP 407.A O no hydrogen 2.851 N/A THR 411.A OG1 TRP 407.A O no hydrogen 2.696 N/A LEU 412.A N ILE 408.A O no hydrogen 2.983 N/A GLU 413.A N GLU 409.A O no hydrogen 3.005 N/A GLU 414.A N LYS 410.A O no hydrogen 3.005 N/A GLY 415.A N THR 411.A O no hydrogen 2.942 N/A ARG 416.A N LEU 412.A O no hydrogen 2.820 N/A ARG 416.A NE GLU 413.A OE1.A no hydrogen 2.962 N/A ARG 416.A NH2 GLU 413.A OE1.A no hydrogen 2.755 N/A ARG 417.A N GLU 413.A O no hydrogen 3.237 N/A ARG 418.A N GLU 414.A O no hydrogen 2.979 N/A ARG 418.A NH2 TYR 420.A O no hydrogen 3.275 N/A GLY 419.A N GLY 415.A O no hydrogen 2.793 N/A VAL 421.A N ARG 429.A O no hydrogen 3.051 N/A THR 423.A N ARG 427.A O no hydrogen 2.778 N/A THR 423.A OG1 ASP 460.A OD2 no hydrogen 2.531 N/A LEU 424.A N THR 457.A OG1 no hydrogen 2.992 N/A PHE 425.A N.A THR 423.A OG1 no hydrogen 3.321 N/A PHE 425.A N.B THR 423.A OG1 no hydrogen 3.310 N/A GLY 426.A N THR 423.A O no hydrogen 2.965 N/A ARG 427.A N THR 423.A OG1 no hydrogen 3.066 N/A ARG 427.A NE ASP 460.A OD1 no hydrogen 2.716 N/A ARG 427.A NH1 GLU 142.A OE2 no hydrogen 2.830 N/A ARG 427.A NH2 GLU 142.A OE2 no hydrogen 2.682 N/A ARG 427.A NH2 ASP 460.A OD1 no hydrogen 2.889 N/A ARG 428.A NH2 GLU 131.A OE1 no hydrogen 2.476 N/A ARG 429.A N VAL 421.A O no hydrogen 2.905 N/A VAL 431.A N GLY 419.A O no hydrogen 2.961 N/A LEU 434.A N VAL 431.A O no hydrogen 3.486 N/A ALA 436.A N ASP 433.A O no hydrogen 2.971 N/A ARG 442.A N VAL 438.A O no hydrogen 2.873 N/A ARG 442.A NH1 ALA 436.A O no hydrogen 3.047 N/A GLU 443.A N LYS 439.A O no hydrogen 2.818 N/A ALA 444.A N SER 440.A O no hydrogen 3.072 N/A ALA 445.A N VAL 441.A O no hydrogen 2.992 N/A GLU 446.A N ARG 442.A O no hydrogen 2.898 N/A ARG 447.A N GLU 443.A O no hydrogen 3.077 N/A MET 448.A N ALA 444.A O no hydrogen 3.157 N/A ALA 449.A N ALA 445.A O no hydrogen 2.828 N/A PHE 450.A N GLU 446.A O no hydrogen 2.918 N/A ASN 451.A N ARG 447.A O no hydrogen 3.160 N/A MET 452.A N MET 448.A O no hydrogen 3.198 N/A VAL 454.A N ASN 451.A O no hydrogen 2.973 N/A GLN 455.A N ASN 451.A O no hydrogen 3.024 N/A GLY 456.A N MET 452.A O no hydrogen 2.696 N/A THR 457.A N PRO 453.A O no hydrogen 3.081 N/A THR 457.A OG1 PRO 453.A O no hydrogen 2.608 N/A ALA 458.A N VAL 454.A O no hydrogen 3.112 N/A ALA 459.A N GLN 455.A O no hydrogen 2.954 N/A ASP 460.A N GLY 456.A O no hydrogen 2.803 N/A LEU 461.A N THR 457.A O no hydrogen 2.903 N/A MET 462.A N ALA 458.A O no hydrogen 3.092 N/A LYS 463.A N ALA 459.A O no hydrogen 2.989 N/A LYS 463.A NZ GLU 142.A OE1 no hydrogen 3.364 N/A LYS 463.A NZ GLU 142.A OE2 no hydrogen 2.753 N/A LYS 463.A NZ GLY 280.A O no hydrogen 2.688 N/A LEU 464.A N ASP 460.A O no hydrogen 2.988 N/A ALA 465.A N LEU 461.A O no hydrogen 2.961 N/A MET 466.A N MET 462.A O no hydrogen 2.929 N/A VAL 467.A N LYS 463.A O no hydrogen 2.973 N/A LYS 468.A N LEU 464.A O no hydrogen 2.909 N/A LYS 468.A NZ VAL 511.A O no hydrogen 2.940 N/A LEU 469.A N ALA 465.A O no hydrogen 2.811 N/A PHE 470.A N MET 466.A O no hydrogen 2.988 N/A LEU 473.A N LEU 469.A O no hydrogen 3.094 N/A GLU 474.A N PHE 470.A O no hydrogen 3.109 N/A GLU 475.A N PRO 471.A O no hydrogen 3.186 N/A MET 476.A N ARG 472.A O no hydrogen 3.110 N/A MET 476.A N LEU 473.A O no hydrogen 3.000 N/A GLY 477.A N GLU 474.A O no hydrogen 2.986 N/A ALA 478.A N LEU 473.A O no hydrogen 2.897 N/A ARG 479.A N GLU 491.A O no hydrogen 2.847 N/A ARG 479.A NH1 GLU 309.A OE1 no hydrogen 2.774 N/A ARG 479.A NH1 GLU 491.A OE2 no hydrogen 2.906 N/A ARG 479.A NH2 GLU 309.A OE1 no hydrogen 3.288 N/A LEU 481.A N VAL 489.A O no hydrogen 2.802 N/A LEU 482.A N VAL 489.A O no hydrogen 3.194 N/A VAL 484.A N GLU 487.A O no hydrogen 2.820 N/A HIS 485.A N GLN 483.A OE1 no hydrogen 2.782 N/A ASP 486.A N VAL 484.A O no hydrogen 2.756 N/A LEU 488.A N LEU 317.A O no hydrogen 2.770 N/A VAL 489.A N LEU 482.A O no hydrogen 2.849 N/A LEU 490.A N VAL 315.A O no hydrogen 2.833 N/A GLU 491.A N ARG 479.A O no hydrogen 2.844 N/A ALA 492.A N LEU 313.A O no hydrogen 2.943 N/A LYS 494.A N GLY 311.A O no hydrogen 3.129 N/A ARG 496.A N PRO 493.A O no hydrogen 2.789 N/A ALA 497.A N LYS 494.A O no hydrogen 3.382 N/A VAL 500.A N ARG 496.A O no hydrogen 2.936 N/A ALA 501.A N ALA 497.A O no hydrogen 2.897 N/A ARG 502.A N GLU 498.A O no hydrogen 3.084 N/A LEU 503.A N ALA 499.A O no hydrogen 3.009 N/A ALA 504.A N VAL 500.A O no hydrogen 2.722 N/A LYS 505.A N ALA 501.A O no hydrogen 2.981 N/A LYS 505.A NZ GLU 509.A OE1 no hydrogen 3.337 N/A LYS 505.A NZ GLU 509.A OE2 no hydrogen 2.705 N/A GLU 506.A N ARG 502.A O no hydrogen 3.136 N/A VAL 507.A N LEU 503.A O no hydrogen 2.955 N/A MET 508.A N ALA 504.A O no hydrogen 2.966 N/A GLU 509.A N LYS 505.A O no hydrogen 2.925 N/A GLY 510.A N GLU 506.A O no hydrogen 2.901 N/A VAL 511.A N MET 508.A O no hydrogen 3.506 N/A ALA 515.A N HIS 329.A ND1 no hydrogen 2.902 N/A VAL 520.A N GLU 509.A OE2 no hydrogen 2.815 N/A GLU 521.A N ASP 318.A O.A no hydrogen 2.902 N/A GLU 521.A N ASP 318.A O.B no hydrogen 2.836 N/A GLY 523.A N ALA 316.A O no hydrogen 2.879 N/A GLY 525.A N LEU 314.A O no hydrogen 2.968 N/A GLU 526.A N GLU 526.A OE1 no hydrogen 3.276 N/A ASP 527.A N SER 530.A OG no hydrogen 3.393 N/A TRP 528.A N PHE 306.A O no hydrogen 2.863 N/A TRP 528.A NE1 GLU 487.A OE2.A no hydrogen 3.044 N/A SER 530.A N ASP 527.A OD1 no hydrogen 2.928 N/A SER 530.A OG ASP 527.A O no hydrogen 3.218 N/A SER 530.A OG ASP 527.A OD2 no hydrogen 3.267 N/A ALA 531.A N ASP 527.A O no hydrogen 2.860 N/A LYS 532.A N LEU 529.A O no hydrogen 3.386 N/A LYS 532.A NZ ASP 318.A OD1.A no hydrogen 3.162 N/A LYS 532.A NZ GLU 487.A OE1.B no hydrogen 3.027 N/A LYS 532.A NZ GLU 487.A OE2.A no hydrogen 3.370 N/A GLU 533.A N SER 530.A O no hydrogen 3.103 N/A