Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1upb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N SER 164.A O no hydrogen 3.022 N/A ALA 4.A N THR 2.A OG1 no hydrogen 3.286 N/A ALA 6.A N THR 2.A O no hydrogen 3.116 N/A LEU 7.A N ALA 3.A O no hydrogen 2.860 N/A LEU 8.A N ALA 4.A O no hydrogen 3.156 N/A SER 9.A N HIS 5.A O no hydrogen 2.877 N/A ARG 10.A N ALA 6.A O no hydrogen 3.122 N/A ARG 10.A NE ASP 139.A OD1 no hydrogen 2.817 N/A ARG 10.A NE ASP 139.A OD2 no hydrogen 3.320 N/A ARG 10.A NH1 ASP 13.A OD2 no hydrogen 3.026 N/A ARG 10.A NH1 PRO 172.A O no hydrogen 2.867 N/A ARG 10.A NH2 ASP 139.A OD1 no hydrogen 3.502 N/A ARG 10.A NH2 ASP 139.A OD2 no hydrogen 2.856 N/A ARG 10.A NH2 PRO 172.A O no hydrogen 3.260 N/A ARG 10.A NH2 PRO 173.A O no hydrogen 3.415 N/A LEU 11.A N LEU 7.A O no hydrogen 3.047 N/A ARG 12.A N LEU 8.A O no hydrogen 2.967 N/A ARG 12.A NE VAL 16.A O no hydrogen 3.133 N/A ASP 13.A N SER 9.A O no hydrogen 2.980 N/A HIS 14.A N ARG 10.A O no hydrogen 3.238 N/A HIS 14.A ND1 THR 176.A OG1 no hydrogen 2.681 N/A HIS 14.A NE2 ASP 139.A OD1 no hydrogen 3.087 N/A GLY 15.A N ARG 12.A O no hydrogen 2.903 N/A VAL 16.A N LEU 11.A O no hydrogen 3.031 N/A LYS 18.A NZ ASP 39.A OD2 no hydrogen 3.260 N/A VAL 19.A N ASP 39.A O no hydrogen 2.993 N/A PHE 20.A N ALA 65.A O no hydrogen 3.187 N/A GLY 21.A N VAL 41.A O no hydrogen 3.011 N/A VAL 22.A N TRP 67.A O no hydrogen 3.224 N/A GLY 24.A N GLU 26.A OE2 no hydrogen 2.843 N/A ARG 25.A NH1 GLU 99.A OE2 no hydrogen 2.941 N/A ARG 25.A NH2 GLU 99.A OE1 no hydrogen 2.950 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.775 N/A ALA 27.A N GLY 24.A O no hydrogen 2.944 N/A ALA 28.A N ARG 25.A O no hydrogen 3.182 N/A SER 29.A N GLU 26.A O no hydrogen 2.820 N/A SER 29.A OG VAL 159.A O no hydrogen 2.693 N/A ILE 30.A N GLU 26.A O no hydrogen 2.974 N/A LEU 31.A N GLU 34.A OE2 no hydrogen 3.042 N/A PHE 32.A N GLU 34.A OE1 no hydrogen 2.831 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.869 N/A ILE 38.A N VAL 35.A O no hydrogen 3.330 N/A ASP 39.A N GLY 17.A O no hydrogen 3.006 N/A VAL 41.A N VAL 19.A O no hydrogen 2.833 N/A THR 43.A N GLY 21.A O no hydrogen 3.045 N/A THR 43.A OG1 HIS 45.A O no hydrogen 2.734 N/A ARG 44.A N ASP 458.A OD1 no hydrogen 2.848 N/A ARG 44.A N ASP 458.A OD2 no hydrogen 3.371 N/A ARG 44.A NE GLU 460.A OE1 no hydrogen 2.949 N/A ARG 44.A NH2 GLU 460.A OE1 no hydrogen 3.415 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.752 N/A PHE 47.A N HIS 45.A ND1 no hydrogen 3.145 N/A THR 48.A OG1 ASN 455.A OD1 no hydrogen 3.158 N/A THR 48.A OG1 ASP 458.A OD2 no hydrogen 2.702 N/A GLY 50.A N GLU 46.A O no hydrogen 3.065 N/A VAL 51.A N PHE 47.A O no hydrogen 3.005 N/A ALA 52.A N THR 48.A O no hydrogen 2.999 N/A ALA 53.A N ALA 49.A O no hydrogen 3.203 N/A ASP 54.A N GLY 50.A O no hydrogen 2.919 N/A VAL 55.A N VAL 51.A O no hydrogen 2.986 N/A LEU 56.A N ALA 52.A O no hydrogen 2.998 N/A ALA 57.A N ALA 53.A O no hydrogen 2.958 N/A ARG 58.A N ASP 54.A O no hydrogen 2.995 N/A ARG 58.A NH1 ASP 54.A OD1 no hydrogen 2.802 N/A ARG 58.A NH2 ASP 54.A OD2 no hydrogen 3.072 N/A ARG 58.A NH2 ASP 87.A O no hydrogen 3.035 N/A ILE 59.A N VAL 55.A O no hydrogen 3.093 N/A THR 60.A N LEU 56.A O no hydrogen 2.999 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.548 N/A GLY 61.A N ALA 57.A O no hydrogen 2.938 N/A ARG 62.A N THR 60.A OG1 no hydrogen 3.311 N/A GLN 64.A N PRO 90.A O no hydrogen 3.249 N/A GLN 64.A NE2 THR 60.A OG1 no hydrogen 3.257 N/A GLN 64.A NE2 ARG 62.A O no hydrogen 3.308 N/A CYS 66.A N ILE 92.A O no hydrogen 3.069 N/A TRP 67.A NE1 GLU 26.A OE2 no hydrogen 2.982 N/A ALA 68.A N LEU 94.A O no hydrogen 2.936 N/A THR 69.A OG1 GLU 26.A OE1 no hydrogen 2.666 N/A LEU 70.A N THR 69.A OG1 no hydrogen 2.800 N/A GLY 73.A N LEU 70.A O no hydrogen 3.168 N/A THR 75.A N GLY 71.A O no hydrogen 3.163 N/A THR 75.A OG1 PRO 72.A O no hydrogen 3.252 N/A ASN 76.A N PRO 72.A O no hydrogen 2.946 N/A ASN 76.A ND2 GLU 46.A OE1 no hydrogen 2.996 N/A LEU 77.A N GLY 73.A O no hydrogen 2.824 N/A SER 78.A N THR 75.A O no hydrogen 3.204 N/A SER 78.A OG THR 75.A O no hydrogen 2.618 N/A ILE 81.A N LEU 77.A O no hydrogen 2.905 N/A ALA 82.A N SER 78.A O no hydrogen 2.856 N/A THR 83.A N THR 79.A O no hydrogen 2.932 N/A THR 83.A OG1 THR 79.A O no hydrogen 3.184 N/A SER 84.A N GLY 80.A O no hydrogen 3.108 N/A SER 84.A OG SER 89.A O no hydrogen 2.626 N/A SER 84.A OG SER 89.A OG no hydrogen 3.032 N/A VAL 85.A N ILE 81.A O no hydrogen 2.963 N/A LEU 86.A N ALA 82.A O no hydrogen 3.246 N/A ASP 87.A N THR 83.A O no hydrogen 2.913 N/A ARG 88.A NE ASP 283.A OD2 no hydrogen 2.799 N/A ARG 88.A NH1 VAL 85.A O no hydrogen 2.955 N/A ARG 88.A NH2 ASP 283.A OD1 no hydrogen 3.009 N/A ARG 88.A NH2 ASP 283.A OD2 no hydrogen 3.439 N/A SER 89.A N SER 84.A O no hydrogen 3.124 N/A SER 89.A OG ASP 54.A OD2 no hydrogen 2.515 N/A SER 89.A OG SER 84.A OG no hydrogen 3.032 N/A ILE 92.A N GLN 64.A O no hydrogen 2.809 N/A ALA 93.A N SER 153.A O no hydrogen 2.759 N/A LEU 94.A N CYS 66.A O no hydrogen 2.974 N/A ALA 95.A N ILE 155.A O no hydrogen 3.171 N/A ALA 96.A N ALA 68.A O no hydrogen 2.948 N/A GLN 97.A N LEU 157.A O no hydrogen 3.029 N/A GLN 97.A NE2 LEU 112.A O no hydrogen 2.910 N/A SER 98.A N GLN 97.A OE1 no hydrogen 2.985 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.793 N/A SER 100.A N ASP 160.A OD1 no hydrogen 2.827 N/A SER 100.A OG ASP 160.A OD1 no hydrogen 3.475 N/A SER 100.A OG ASP 160.A OD2 no hydrogen 2.519 N/A ASP 102.A N GLU 99.A O no hydrogen 2.817 N/A ILE 103.A N SER 100.A O no hydrogen 3.477 N/A ASN 106.A N CYS 111.A O no hydrogen 2.867 N/A ASP 107.A N PHE 104.A O no hydrogen 2.930 N/A THR 108.A N PHE 104.A O no hydrogen 2.943 N/A THR 108.A OG1 ASP 102.A O no hydrogen 2.744 N/A CYS 111.A N THR 108.A O no hydrogen 3.011 N/A CYS 111.A SG GLN 97.A OE1 no hydrogen 3.688 N/A SER 114.A OG LEU 112.A O no hydrogen 3.477 N/A ILE 117.A N ASP 113.A O no hydrogen 3.031 N/A VAL 118.A N SER 114.A O no hydrogen 2.960 N/A ALA 119.A N VAL 115.A O no hydrogen 2.866 N/A MET 121.A N VAL 118.A O no hydrogen 2.922 N/A SER 122.A N ALA 119.A O no hydrogen 3.396 N/A SER 122.A OG VAL 118.A O no hydrogen 2.732 N/A SER 122.A OG ALA 119.A O no hydrogen 3.413 N/A SER 122.A OG TYR 124.A O no hydrogen 3.549 N/A LYS 123.A N PRO 152.A O no hydrogen 2.878 N/A LYS 123.A NZ ALA 144.A O no hydrogen 3.018 N/A LYS 123.A NZ PRO 149.A O no hydrogen 2.691 N/A VAL 126.A N PHE 154.A O no hydrogen 3.065 N/A LEU 128.A N SER 156.A O no hydrogen 2.930 N/A ARG 130.A NE GLU 133.A OE1 no hydrogen 3.229 N/A ARG 130.A NE GLU 133.A OE2 no hydrogen 2.791 N/A ARG 130.A NH2 GLU 133.A OE1 no hydrogen 3.098 N/A GLU 133.A N ARG 130.A O no hydrogen 3.028 N/A ILE 134.A N PRO 131.A O no hydrogen 3.123 N/A LEU 137.A N GLU 133.A O no hydrogen 2.984 N/A VAL 138.A N ILE 134.A O no hydrogen 2.993 N/A ASP 139.A N THR 135.A O no hydrogen 3.167 N/A SER 140.A N ASP 136.A O no hydrogen 2.865 N/A SER 140.A OG ASP 136.A O no hydrogen 3.332 N/A ALA 141.A N LEU 137.A O no hydrogen 2.806 N/A VAL 142.A N VAL 138.A O no hydrogen 2.970 N/A ASN 143.A N ASP 139.A O no hydrogen 2.965 N/A ALA 144.A N SER 140.A O no hydrogen 3.136 N/A ALA 145.A N ALA 141.A O no hydrogen 2.901 N/A MET 146.A N VAL 142.A O no hydrogen 2.872 N/A THR 147.A N ALA 144.A O no hydrogen 3.419 N/A THR 147.A OG1 ASN 143.A O no hydrogen 2.756 N/A GLU 148.A N VAL 181.A O no hydrogen 2.872 N/A VAL 150.A N GLU 148.A OE1 no hydrogen 3.190 N/A GLY 151.A N ALA 145.A O no hydrogen 3.191 N/A SER 153.A N VAL 91.A O no hydrogen 2.827 N/A SER 153.A OG ALA 141.A O no hydrogen 2.590 N/A PHE 154.A N TYR 124.A O no hydrogen 2.787 N/A ILE 155.A N ALA 93.A O no hydrogen 3.021 N/A SER 156.A N VAL 126.A O no hydrogen 2.823 N/A LEU 157.A N ALA 95.A O no hydrogen 2.840 N/A VAL 159.A N GLN 97.A O no hydrogen 3.045 N/A LEU 162.A N PRO 158.A O no hydrogen 2.944 N/A GLY 163.A N VAL 159.A O no hydrogen 3.211 N/A SER 164.A N LEU 161.A O no hydrogen 3.177 N/A GLU 166.A N SER 164.A OG no hydrogen 3.158 N/A ILE 168.A N SER 165.A O no hydrogen 3.089 N/A THR 176.A OG1 HIS 14.A ND1 no hydrogen 2.681 N/A LYS 179.A NZ SER 216.A O no hydrogen 2.733 N/A LYS 179.A NZ SER 216.A OG no hydrogen 3.357 N/A LYS 179.A NZ ASP 324.A OD1 no hydrogen 3.424 N/A LYS 179.A NZ ASP 324.A OD2 no hydrogen 2.784 N/A VAL 181.A N MET 146.A O no hydrogen 2.777 N/A VAL 183.A N PRO 306.A O no hydrogen 2.981 N/A ALA 185.A N VAL 322.A O no hydrogen 2.943 N/A TRP 188.A N ALA 185.A O no hydrogen 3.222 N/A GLN 189.A N GLN 189.A OE1 no hydrogen 3.011 N/A ALA 191.A N GLY 187.A O no hydrogen 3.143 N/A ALA 192.A N TRP 188.A O no hydrogen 2.803 N/A ASP 193.A N GLN 189.A O no hydrogen 2.998 N/A GLN 194.A N LYS 190.A O no hydrogen 3.006 N/A ALA 195.A N ALA 191.A O no hydrogen 2.942 N/A ALA 196.A N ALA 192.A O no hydrogen 2.987 N/A ALA 197.A N ASP 193.A O no hydrogen 3.043 N/A LEU 198.A N GLN 194.A O no hydrogen 3.029 N/A LEU 199.A N ALA 195.A O no hydrogen 2.985 N/A ALA 200.A N ALA 196.A O no hydrogen 3.017 N/A GLU 201.A N ALA 197.A O no hydrogen 3.384 N/A ALA 202.A N LEU 198.A O no hydrogen 3.006 N/A LYS 203.A N ASP 275.A OD2 no hydrogen 2.828 N/A HIS 204.A N ASP 275.A OD1 no hydrogen 2.954 N/A VAL 206.A N LEU 276.A O no hydrogen 3.041 N/A LEU 207.A N PRO 232.A O no hydrogen 3.005 N/A VAL 208.A N LEU 278.A O no hydrogen 2.880 N/A VAL 209.A N ILE 234.A O no hydrogen 2.770 N/A GLY 210.A N VAL 280.A O no hydrogen 3.041 N/A ALA 211.A N GLU 286.A OE2 no hydrogen 3.090 N/A ALA 213.A N GLY 210.A O no hydrogen 3.136 N/A ILE 214.A N ALA 211.A O no hydrogen 2.857 N/A ARG 215.A N ALA 211.A O no hydrogen 3.153 N/A ARG 215.A NE GLU 148.A OE2 no hydrogen 2.925 N/A ARG 215.A NH2 GLU 148.A OE1 no hydrogen 3.046 N/A ARG 215.A NH2 GLU 148.A OE2 no hydrogen 3.355 N/A SER 216.A N ALA 212.A O no hydrogen 3.164 N/A SER 216.A OG ASP 324.A OD1 no hydrogen 2.574 N/A GLY 217.A N ILE 214.A O no hydrogen 2.910 N/A ALA 218.A N ALA 213.A O no hydrogen 3.197 N/A ILE 222.A N ALA 218.A O no hydrogen 2.936 N/A ARG 223.A N VAL 219.A O no hydrogen 2.973 N/A ARG 223.A NE GLU 227.A OE2 no hydrogen 2.966 N/A ALA 224.A N PRO 220.A O no hydrogen 3.042 N/A LEU 225.A N ALA 221.A O no hydrogen 2.999 N/A ALA 226.A N ILE 222.A O no hydrogen 2.882 N/A GLU 227.A N ARG 223.A O no hydrogen 2.948 N/A ARG 228.A N ALA 224.A O no hydrogen 3.109 N/A ARG 228.A NE GLU 333.A OE1 no hydrogen 3.200 N/A ARG 228.A NH1 THR 336.A O no hydrogen 2.921 N/A ARG 228.A NH2 GLU 333.A OE1 no hydrogen 2.801 N/A ARG 228.A NH2 THR 336.A O no hydrogen 3.386 N/A ARG 228.A NH2 THR 336.A OG1 no hydrogen 2.977 N/A LEU 229.A N LEU 225.A O no hydrogen 3.153 N/A ASN 230.A ND2 LYS 342.A O no hydrogen 2.839 N/A ILE 231.A N ALA 226.A O no hydrogen 2.963 N/A VAL 233.A N LEU 249.A O no hydrogen 2.814 N/A ILE 234.A N LEU 207.A O no hydrogen 2.796 N/A THR 235.A N GLY 252.A O no hydrogen 3.172 N/A THR 235.A OG1 THR 236.A O no hydrogen 2.904 N/A THR 236.A N VAL 209.A O no hydrogen 3.218 N/A THR 236.A OG1 GLU 286.A OE2 no hydrogen 2.839 N/A LYS 240.A NZ VAL 404.A O no hydrogen 2.711 N/A LYS 240.A NZ ALA 407.A O no hydrogen 2.832 N/A VAL 242.A N ALA 239.A O no hydrogen 3.310 N/A VAL 245.A N ASP 410.A OD1 no hydrogen 3.141 N/A HIS 247.A N PRO 244.A O no hydrogen 3.275 N/A HIS 247.A NE2 GLU 227.A OE2 no hydrogen 2.780 N/A LEU 249.A N HIS 247.A ND1 no hydrogen 3.169 N/A ASN 250.A N HIS 247.A O no hydrogen 3.129 N/A ASN 250.A ND2 PRO 244.A O no hydrogen 3.090 N/A TYR 251.A N VAL 233.A O no hydrogen 3.015 N/A TYR 251.A OH HIS 345.A O no hydrogen 2.619 N/A VAL 254.A N THR 235.A O no hydrogen 3.094 N/A THR 255.A OG1 HIS 401.A ND1 no hydrogen 2.969 N/A TYR 257.A N THR 255.A OG1 no hydrogen 3.122 N/A MET 258.A N THR 255.A O no hydrogen 3.015 N/A ILE 261.A N TYR 257.A O no hydrogen 3.144 N/A LEU 262.A N MET 258.A O no hydrogen 3.055 N/A PHE 264.A N ASP 259.A O no hydrogen 3.279 N/A ALA 266.A N PHE 264.A O no hydrogen 2.882 N/A LEU 267.A N ASP 259.A OD1 no hydrogen 3.061 N/A THR 269.A N PRO 265.A O no hydrogen 3.043 N/A THR 269.A OG1 PRO 265.A O no hydrogen 2.828 N/A MET 270.A N ALA 266.A O no hydrogen 2.857 N/A PHE 271.A N LEU 267.A O no hydrogen 2.908 N/A ALA 272.A N GLN 268.A O no hydrogen 2.862 N/A VAL 274.A N PHE 271.A O no hydrogen 3.106 N/A ASP 275.A N HIS 204.A O no hydrogen 3.208 N/A VAL 277.A N LYS 300.A O no hydrogen 2.960 N/A LEU 278.A N VAL 206.A O no hydrogen 2.994 N/A THR 279.A N VAL 302.A O no hydrogen 2.751 N/A THR 279.A OG1 VAL 302.A O no hydrogen 3.271 N/A THR 279.A OG1 TYR 315.A OH no hydrogen 2.848 N/A VAL 280.A N VAL 208.A O no hydrogen 2.850 N/A GLY 281.A N ILE 304.A O no hydrogen 2.803 N/A TYR 282.A N ILE 304.A O no hydrogen 3.199 N/A TYR 282.A OH LEU 288.A O no hydrogen 2.670 N/A ALA 285.A N ASP 283.A OD1 no hydrogen 3.229 N/A GLU 286.A N ASP 283.A O no hydrogen 3.000 N/A ASP 287.A N TYR 284.A O no hydrogen 2.874 N/A ARG 289.A NH1 ASP 287.A OD1 no hydrogen 2.985 N/A MET 292.A N ARG 289.A O no hydrogen 2.976 N/A TRP 293.A N PRO 290.A O no hydrogen 3.145 N/A GLN 294.A N PRO 290.A O no hydrogen 3.162 N/A LYS 295.A N TRP 293.A O no hydrogen 2.931 N/A ILE 297.A N ALA 272.A O no hydrogen 3.261 N/A LYS 299.A NZ PHE 271.A O no hydrogen 2.892 N/A LYS 299.A NZ ALA 272.A O no hydrogen 3.227 N/A LYS 299.A NZ VAL 274.A O no hydrogen 2.716 N/A LYS 299.A NZ LYS 295.A O no hydrogen 2.769 N/A LYS 299.A NZ ILE 297.A O no hydrogen 2.723 N/A LYS 300.A N ASP 275.A O no hydrogen 3.053 N/A THR 301.A N ASP 318.A OD2 no hydrogen 2.950 N/A THR 301.A OG1 ASP 318.A OD2 no hydrogen 3.407 N/A VAL 302.A N VAL 277.A O no hydrogen 2.985 N/A ARG 303.A N VAL 319.A O no hydrogen 2.969 N/A ARG 303.A NH1 THR 307.A O no hydrogen 3.050 N/A ARG 303.A NH1 ASP 320.A OD1 no hydrogen 2.919 N/A ARG 303.A NH1 ASP 320.A OD2 no hydrogen 3.531 N/A ARG 303.A NH2 THR 307.A O no hydrogen 3.124 N/A ARG 303.A NH2 THR 307.A OG1 no hydrogen 3.129 N/A ILE 304.A N THR 279.A O no hydrogen 2.971 N/A SER 305.A N VAL 321.A O no hydrogen 3.074 N/A SER 305.A OG THR 307.A OG1 no hydrogen 2.863 N/A THR 307.A N SER 305.A OG no hydrogen 3.262 N/A THR 307.A OG1 SER 305.A OG no hydrogen 2.863 N/A ASN 309.A ND2 TYR 315.A O no hydrogen 2.647 N/A ILE 311.A N ASN 309.A OD1 no hydrogen 3.036 N/A VAL 314.A N ILE 311.A O no hydrogen 3.017 N/A TYR 315.A N ILE 311.A O no hydrogen 2.950 N/A TYR 315.A OH THR 279.A OG1 no hydrogen 2.848 N/A ASP 318.A N THR 301.A OG1 no hydrogen 3.203 N/A VAL 319.A N THR 301.A O no hydrogen 3.174 N/A VAL 321.A N ARG 303.A O no hydrogen 2.750 N/A THR 323.A N SER 305.A O no hydrogen 3.111 N/A LEU 326.A N SER 216.A OG no hydrogen 3.258 N/A ALA 327.A N ASP 324.A OD2 no hydrogen 3.369 N/A PHE 328.A N ASP 324.A O no hydrogen 2.898 N/A VAL 329.A N VAL 325.A O no hydrogen 2.971 N/A GLU 330.A N LEU 326.A O no hydrogen 3.020 N/A HIS 331.A N ALA 327.A O no hydrogen 3.243 N/A HIS 331.A NE2 ASP 193.A OD1 no hydrogen 2.827 N/A PHE 332.A N PHE 328.A O no hydrogen 2.905 N/A GLU 333.A N VAL 329.A O no hydrogen 2.958 N/A THR 334.A N GLU 330.A O no hydrogen 3.409 N/A THR 334.A OG1 GLU 330.A O no hydrogen 3.439 N/A ALA 335.A N HIS 331.A O no hydrogen 2.931 N/A THR 336.A N PHE 332.A O no hydrogen 2.974 N/A THR 336.A N GLU 333.A O no hydrogen 3.288 N/A THR 336.A OG1 PHE 332.A O no hydrogen 2.604 N/A THR 336.A OG1 GLU 333.A O no hydrogen 3.543 N/A ALA 337.A N THR 334.A O no hydrogen 3.439 N/A PHE 339.A N THR 336.A O no hydrogen 3.239 N/A LYS 342.A N LEU 229.A O no hydrogen 2.990 N/A LYS 342.A NZ LEU 199.A O no hydrogen 2.790 N/A LYS 342.A NZ ALA 200.A O no hydrogen 3.320 N/A LYS 342.A NZ ALA 202.A O no hydrogen 2.602 N/A ARG 344.A NE ASN 230.A OD1 no hydrogen 3.067 N/A ARG 344.A NH1 TYR 251.A OH no hydrogen 3.052 N/A ARG 344.A NH2 GLU 248.A OE2 no hydrogen 3.554 N/A HIS 345.A NE2 MET 270.A O no hydrogen 2.824 N/A GLU 348.A N ASP 346.A OD1 no hydrogen 3.070 N/A ARG 351.A N ILE 347.A O no hydrogen 2.974 N/A ARG 351.A NH1 GLU 348.A OE2 no hydrogen 2.787 N/A ARG 351.A NH2 GLU 248.A O no hydrogen 3.048 N/A ARG 351.A NH2 ASN 250.A O no hydrogen 3.069 N/A ALA 352.A N GLU 348.A O no hydrogen 2.835 N/A ARG 353.A N PRO 349.A O no hydrogen 3.039 N/A ARG 353.A NE LEU 262.A O no hydrogen 3.023 N/A ARG 353.A NH1 GLU 356.A OE1 no hydrogen 3.481 N/A ARG 353.A NH2 LEU 262.A O no hydrogen 3.123 N/A ARG 353.A NH2 ASN 263.A O no hydrogen 3.138 N/A ILE 354.A N LEU 350.A O no hydrogen 2.937 N/A ALA 355.A N ARG 351.A O no hydrogen 2.984 N/A GLU 356.A N ALA 352.A O no hydrogen 2.962 N/A PHE 357.A N ARG 353.A O no hydrogen 3.106 N/A LEU 358.A N ILE 354.A O no hydrogen 3.048 N/A ALA 359.A N ALA 355.A O no hydrogen 3.011 N/A ASP 360.A N PHE 357.A O no hydrogen 3.218 N/A GLU 362.A N ASP 360.A OD1 no hydrogen 3.199 N/A TYR 364.A OH ASP 360.A OD2 no hydrogen 2.597 N/A MET 368.A N PRO 544.A O no hydrogen 2.931 N/A ARG 369.A N GLN 372.A OE1 no hydrogen 3.036 N/A ARG 369.A NH1 MET 368.A O no hydrogen 3.146 N/A HIS 371.A ND1 PHE 357.A O no hydrogen 3.011 N/A GLN 372.A N ARG 369.A O no hydrogen 2.998 N/A GLN 372.A NE2 ASP 360.A O no hydrogen 2.763 N/A GLN 372.A NE2 GLU 362.A O no hydrogen 2.896 N/A VAL 373.A N ARG 369.A O no hydrogen 3.166 N/A ILE 374.A N VAL 370.A O no hydrogen 2.975 N/A ASP 375.A N HIS 371.A O no hydrogen 3.051 N/A SER 376.A N GLN 372.A O no hydrogen 3.095 N/A SER 376.A OG GLN 372.A O no hydrogen 2.955 N/A MET 377.A N VAL 373.A O no hydrogen 2.981 N/A ASN 378.A N ILE 374.A O no hydrogen 2.769 N/A ASN 378.A ND2 PHE 406.A O no hydrogen 2.901 N/A THR 379.A N ASP 375.A O no hydrogen 3.027 N/A THR 379.A OG1 ASP 375.A O no hydrogen 3.152 N/A VAL 380.A N SER 376.A O no hydrogen 3.168 N/A MET 381.A N MET 377.A O no hydrogen 2.881 N/A GLU 382.A N ASN 378.A O no hydrogen 2.901 N/A GLU 383.A N THR 379.A O no hydrogen 3.233 N/A ALA 384.A N VAL 380.A O no hydrogen 3.014 N/A ALA 385.A N MET 381.A O no hydrogen 2.991 N/A GLY 388.A N ASP 410.A OD2 no hydrogen 2.837 N/A GLU 389.A N GLU 386.A O no hydrogen 3.098 N/A GLY 390.A N GLN 441.A OE1 no hydrogen 3.051 N/A THR 391.A N PRO 442.A O no hydrogen 2.998 N/A ILE 392.A N GLY 414.A O no hydrogen 2.930 N/A VAL 393.A N PHE 444.A O no hydrogen 2.723 N/A SER 394.A N LEU 416.A O no hydrogen 2.821 N/A SER 394.A OG ASP 395.A O no hydrogen 2.938 N/A ASP 395.A N ILE 446.A O no hydrogen 3.050 N/A ILE 396.A N ASP 395.A OD1 no hydrogen 2.727 N/A ARG 400.A N GLY 397.A O no hydrogen 3.244 N/A ARG 400.A NH1 THR 417.A OG1 no hydrogen 3.092 N/A ARG 400.A NH1 SER 418.A O no hydrogen 3.037 N/A ARG 400.A NH2 SER 422.A OG no hydrogen 2.970 N/A HIS 401.A N PHE 398.A O no hydrogen 3.193 N/A GLY 403.A N PHE 399.A O no hydrogen 3.044 N/A VAL 404.A N ARG 400.A O no hydrogen 3.066 N/A LEU 405.A N HIS 401.A O no hydrogen 3.243 N/A PHE 406.A N TYR 402.A O no hydrogen 2.741 N/A ALA 407.A N GLY 403.A O no hydrogen 2.811 N/A ARG 408.A N ASN 378.A OD1 no hydrogen 2.982 N/A GLN 411.A NE2 GLY 390.A O no hydrogen 3.097 N/A GLN 411.A NE2 GLN 441.A OE1 no hydrogen 2.964 N/A GLY 414.A N GLN 411.A O no hydrogen 2.887 N/A LEU 416.A N ILE 392.A O no hydrogen 2.967 N/A THR 417.A OG1 SER 394.A O no hydrogen 2.914 N/A SER 418.A OG ASP 87.A OD1 no hydrogen 3.102 N/A SER 418.A OG ASP 87.A OD2 no hydrogen 2.360 N/A GLY 420.A N ASP 87.A OD1 no hydrogen 2.826 N/A CYS 421.A N ASP 87.A OD1 no hydrogen 2.873 N/A SER 422.A N SER 418.A OG no hydrogen 2.939 N/A SER 422.A OG SER 418.A O no hydrogen 2.649 N/A SER 423.A OG PHE 424.A O no hydrogen 2.839 N/A GLY 425.A N ASP 395.A OD1 no hydrogen 2.884 N/A GLY 427.A N ASP 395.A OD2 no hydrogen 2.923 N/A ALA 430.A N TYR 426.A O no hydrogen 3.032 N/A ALA 431.A N GLY 427.A O no hydrogen 2.820 N/A ILE 432.A N ILE 428.A O no hydrogen 2.907 N/A GLY 433.A N PRO 429.A O no hydrogen 2.983 N/A ALA 434.A N ALA 430.A O no hydrogen 2.842 N/A GLN 435.A N ALA 431.A O no hydrogen 2.891 N/A GLN 435.A NE2 GLN 435.A O no hydrogen 3.219 N/A GLN 435.A NE2 GLN 441.A O no hydrogen 2.991 N/A MET 436.A N ILE 432.A O no hydrogen 2.970 N/A ALA 437.A N GLY 433.A O no hydrogen 3.043 N/A ARG 438.A N ALA 434.A O no hydrogen 3.024 N/A ARG 438.A NH1 THR 391.A OG1 no hydrogen 2.857 N/A ARG 438.A NH1 PHE 413.A O no hydrogen 2.988 N/A ARG 438.A NH2 PRO 412.A O no hydrogen 3.044 N/A GLN 441.A N ARG 438.A O no hydrogen 3.084 N/A PHE 444.A N THR 391.A O no hydrogen 2.923 N/A LEU 445.A N VAL 470.A O no hydrogen 2.805 N/A ILE 446.A N VAL 393.A O no hydrogen 2.872 N/A ALA 447.A N VAL 472.A O no hydrogen 3.001 N/A ASP 449.A N VAL 474.A O no hydrogen 3.194 N/A PHE 452.A N GLY 448.A O no hydrogen 2.838 N/A HIS 453.A N ASP 449.A O no hydrogen 3.081 N/A HIS 453.A ND1 SER 456.A OG no hydrogen 2.782 N/A SER 454.A N GLY 450.A O no hydrogen 3.163 N/A SER 454.A OG GLY 451.A O no hydrogen 2.783 N/A ASN 455.A N PHE 452.A O no hydrogen 3.242 N/A ASN 455.A ND2 THR 48.A OG1 no hydrogen 2.881 N/A ASN 455.A ND2 GLY 425.A O no hydrogen 2.970 N/A SER 456.A OG HIS 453.A ND1 no hydrogen 2.782 N/A SER 456.A OG HIS 453.A O no hydrogen 3.484 N/A LEU 459.A N SER 456.A O no hydrogen 3.171 N/A GLU 460.A N SER 457.A O no hydrogen 3.127 N/A THR 461.A OG1 ASP 458.A OD1 no hydrogen 2.520 N/A ILE 462.A N ASP 458.A O no hydrogen 3.155 N/A ALA 463.A N LEU 459.A O no hydrogen 3.102 N/A ARG 464.A N GLU 460.A O no hydrogen 2.909 N/A ARG 464.A NE GLU 460.A OE1 no hydrogen 3.491 N/A ARG 464.A NE GLU 460.A OE2 no hydrogen 3.018 N/A ARG 464.A NH1 LEU 42.A O no hydrogen 2.859 N/A ARG 464.A NH2 LEU 42.A O no hydrogen 3.150 N/A ARG 464.A NH2 GLU 460.A OE1 no hydrogen 2.994 N/A LEU 465.A N THR 461.A O no hydrogen 2.961 N/A ASN 466.A N ALA 463.A O no hydrogen 3.103 N/A LEU 467.A N ILE 462.A O no hydrogen 3.172 N/A ILE 469.A N LEU 467.A O no hydrogen 2.699 N/A VAL 470.A N THR 443.A O no hydrogen 3.090 N/A THR 471.A N PHE 539.A O no hydrogen 2.881 N/A VAL 472.A N LEU 445.A O no hydrogen 2.750 N/A VAL 473.A N ILE 541.A O no hydrogen 2.858 N/A VAL 474.A N ALA 447.A O no hydrogen 2.804 N/A ASN 475.A N VAL 543.A O no hydrogen 3.007 N/A ASN 475.A ND2 GLU 542.A OE2 no hydrogen 2.804 N/A ASN 476.A N ASP 449.A OD1 no hydrogen 3.260 N/A ASP 477.A N ASN 475.A OD1 no hydrogen 2.849 N/A THR 478.A OG1 ASN 476.A O no hydrogen 2.742 N/A ASN 479.A N VAL 498.A O no hydrogen 2.903 N/A ILE 482.A N ASN 479.A O no hydrogen 3.021 N/A GLU 483.A N ASN 479.A O no hydrogen 3.142 N/A LEU 484.A N GLY 480.A O no hydrogen 2.935 N/A TYR 485.A N LEU 481.A O no hydrogen 3.149 N/A TYR 485.A OH TYR 257.A OH no hydrogen 2.664 N/A GLN 486.A N ILE 482.A O no hydrogen 2.944 N/A GLN 486.A NE2 HIS 494.A O no hydrogen 3.120 N/A ASN 487.A N GLU 483.A O no hydrogen 3.082 N/A ASN 487.A ND2 GLU 483.A O no hydrogen 3.002 N/A ASN 487.A ND2 SER 493.A OG no hydrogen 3.055 N/A ILE 488.A N LEU 484.A O no hydrogen 2.894 N/A GLY 489.A N TYR 485.A O no hydrogen 3.042 N/A HIS 490.A N GLN 486.A O no hydrogen 2.828 N/A HIS 491.A N ASN 487.A O no hydrogen 3.007 N/A SER 493.A OG GLU 483.A OE2 no hydrogen 2.953 N/A HIS 494.A N GLN 486.A OE1 no hydrogen 2.917 N/A ALA 497.A N HIS 494.A O no hydrogen 3.204 N/A VAL 498.A N ASP 495.A O no hydrogen 2.985 N/A LYS 499.A N ASP 495.A O no hydrogen 2.806 N/A LYS 499.A NZ THR 478.A OG1 no hydrogen 3.053 N/A LYS 499.A NZ GLU 483.A OE1 no hydrogen 3.388 N/A PHE 500.A N ASP 477.A O no hydrogen 3.019 N/A PHE 505.A N GLU 542.A OE1 no hydrogen 2.946 N/A ALA 507.A N ASP 504.A OD1 no hydrogen 3.115 N/A LEU 508.A N ASP 504.A O no hydrogen 2.925 N/A ALA 509.A N PHE 505.A O no hydrogen 2.883 N/A GLU 510.A N VAL 506.A O no hydrogen 3.056 N/A ALA 511.A N ALA 507.A O no hydrogen 2.921 N/A ASN 512.A N ALA 509.A O no hydrogen 3.027 N/A ASN 512.A ND2 LEU 508.A O no hydrogen 2.977 N/A GLY 513.A N GLU 510.A O no hydrogen 3.064 N/A VAL 514.A N ALA 509.A O no hydrogen 2.930 N/A THR 517.A N LEU 540.A O no hydrogen 2.983 N/A THR 517.A OG1 ARG 518.A O no hydrogen 3.477 N/A ALA 519.A N GLU 542.A O no hydrogen 3.041 N/A THR 520.A N GLU 524.A OE1 no hydrogen 2.985 N/A THR 520.A OG1 GLU 524.A OE1 no hydrogen 3.208 N/A ARG 522.A NE ASP 360.A O no hydrogen 3.200 N/A ARG 522.A NH1 ASP 375.A OD2 no hydrogen 2.810 N/A ARG 522.A NH2 LEU 358.A O no hydrogen 3.001 N/A ARG 522.A NH2 ASP 360.A O no hydrogen 2.832 N/A GLU 524.A N ASN 521.A OD1 no hydrogen 2.945 N/A LEU 525.A N ASN 521.A O no hydrogen 2.975 N/A LEU 526.A N ARG 522.A O no hydrogen 2.807 N/A ALA 527.A N GLU 523.A O no hydrogen 3.214 N/A ALA 528.A N GLU 524.A O no hydrogen 2.977 N/A LEU 529.A N LEU 525.A O no hydrogen 2.873 N/A ARG 530.A N LEU 526.A O no hydrogen 3.053 N/A ARG 530.A NE GLU 383.A OE1 no hydrogen 2.977 N/A ARG 530.A NH2 GLU 383.A OE2 no hydrogen 2.903 N/A LYS 531.A N ALA 527.A O no hydrogen 2.974 N/A GLY 532.A N ALA 528.A O no hydrogen 2.938 N/A ALA 533.A N LEU 529.A O no hydrogen 3.005 N/A GLU 534.A N ARG 530.A O no hydrogen 3.293 N/A LEU 535.A N GLY 532.A O no hydrogen 3.335 N/A ARG 537.A NH2 ASP 515.A OD2 no hydrogen 2.977 N/A PHE 539.A N ILE 469.A O no hydrogen 3.103 N/A LEU 540.A N ASP 515.A O no hydrogen 3.019 N/A ILE 541.A N THR 471.A O no hydrogen 2.751 N/A GLU 542.A N THR 517.A O no hydrogen 3.112 N/A VAL 543.A N VAL 473.A O no hydrogen 2.983 N/A VAL 545.A N ASN 475.A O no hydrogen 3.102 N/A ASN 546.A N MET 368.A O no hydrogen 3.396 N/A GLY 553.A N GLN 550.A O no hydrogen 3.208 N/A LEU 557.A N PHE 554.A O no hydrogen 3.145 N/A SER 558.A N GLY 555.A O no hydrogen 3.238 N/A