Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k2c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG CYS 59.A O no hydrogen 3.085 N/A HIS 6.A N SER 2.A O no hydrogen 3.376 N/A ARG 7.A N GLU 3.A O no hydrogen 2.932 N/A ARG 7.A NE GLU 3.A OE2 no hydrogen 3.196 N/A ARG 7.A NH1 ASP 252.A OD2 no hydrogen 2.857 N/A ARG 7.A NH2 GLU 3.A OE2 no hydrogen 3.353 N/A PHE 8.A N VAL 4.A O no hydrogen 3.088 N/A LYS 9.A N ALA 5.A O no hydrogen 3.018 N/A LYS 9.A N HIS 6.A O no hydrogen 3.059 N/A LYS 9.A NZ GLU 54.A OE2 no hydrogen 3.013 N/A ASP 10.A N HIS 6.A O no hydrogen 3.134 N/A LEU 11.A N ARG 7.A O no hydrogen 3.296 N/A GLY 12.A N PHE 8.A O no hydrogen 2.985 N/A PHE 16.A N GLY 12.A O no hydrogen 3.132 N/A LYS 17.A N GLU 13.A O no hydrogen 2.570 N/A LYS 17.A NZ GLU 13.A OE2 no hydrogen 3.491 N/A ALA 18.A N GLU 14.A O no hydrogen 2.796 N/A LEU 19.A N ASN 15.A O no hydrogen 2.540 N/A VAL 20.A N PHE 16.A O no hydrogen 3.211 N/A LEU 21.A N LYS 17.A O no hydrogen 3.393 N/A ILE 22.A N ALA 18.A O no hydrogen 3.104 N/A ALA 23.A N LEU 19.A O no hydrogen 3.104 N/A PHE 24.A N VAL 20.A O no hydrogen 2.946 N/A ALA 25.A N LEU 21.A O no hydrogen 2.932 N/A GLN 26.A N ILE 22.A O no hydrogen 2.703 N/A GLN 26.A N ALA 23.A O no hydrogen 2.807 N/A GLN 26.A NE2 HIS 143.A O no hydrogen 3.081 N/A TYR 27.A N ALA 23.A O no hydrogen 3.036 N/A TYR 27.A OH ASN 96.A OD1 no hydrogen 2.849 N/A LEU 28.A N PHE 24.A O no hydrogen 2.911 N/A GLN 29.A NE2 ASP 104.A O no hydrogen 3.008 N/A GLN 29.A NE2 ARG 141.A O no hydrogen 2.627 N/A CYS 31.A SG TYR 81.A OH no hydrogen 3.025 N/A VAL 37.A N PHE 33.A O no hydrogen 3.143 N/A LYS 38.A N GLU 34.A O no hydrogen 2.850 N/A LYS 38.A NZ GLU 42.A OE2 no hydrogen 2.715 N/A LEU 39.A N ASP 35.A O no hydrogen 3.099 N/A VAL 40.A N HIS 36.A O no hydrogen 2.802 N/A ASN 41.A N VAL 37.A O no hydrogen 2.931 N/A GLU 42.A N LYS 38.A O no hydrogen 3.004 N/A VAL 43.A N LEU 39.A O no hydrogen 2.980 N/A THR 44.A N VAL 40.A O no hydrogen 2.728 N/A THR 44.A OG1 VAL 40.A O no hydrogen 2.681 N/A GLU 45.A N ASN 41.A O no hydrogen 2.698 N/A PHE 46.A N GLU 42.A O no hydrogen 3.115 N/A ALA 47.A N VAL 43.A O no hydrogen 2.988 N/A LYS 48.A N THR 44.A O no hydrogen 3.292 N/A LYS 48.A N GLU 45.A O no hydrogen 2.983 N/A THR 49.A N GLU 45.A O no hydrogen 3.476 N/A THR 49.A OG1 PHE 46.A O no hydrogen 2.960 N/A CYS 50.A SG PHE 46.A O no hydrogen 3.790 N/A VAL 51.A N ALA 47.A O no hydrogen 3.274 N/A VAL 51.A N LYS 48.A O no hydrogen 3.115 N/A ALA 52.A N LYS 48.A O no hydrogen 3.103 N/A ASP 53.A N THR 49.A O no hydrogen 2.894 N/A SER 55.A N ASP 53.A OD2 no hydrogen 2.893 N/A SER 55.A OG ASP 53.A OD2 no hydrogen 3.271 N/A CYS 59.A N ALA 56.A O no hydrogen 3.242 N/A CYS 59.A SG ASP 53.A O no hydrogen 3.975 N/A CYS 59.A SG ALA 56.A O no hydrogen 3.386 N/A LYS 61.A N ASN 58.A O no hydrogen 3.004 N/A SER 62.A OG THR 65.A OG1 no hydrogen 2.557 N/A HIS 64.A NE2 HIS 244.A O no hydrogen 3.122 N/A THR 65.A N SER 62.A OG no hydrogen 2.700 N/A THR 65.A OG1 SER 62.A OG no hydrogen 2.557 N/A LEU 66.A N SER 62.A O no hydrogen 2.620 N/A PHE 67.A N LEU 63.A O no hydrogen 2.516 N/A GLY 68.A N HIS 64.A O no hydrogen 2.675 N/A ASP 69.A N THR 65.A O no hydrogen 2.716 N/A LYS 70.A N LEU 66.A O no hydrogen 3.257 N/A LYS 70.A NZ GLU 42.A OE1 no hydrogen 3.380 N/A LEU 71.A N PHE 67.A O no hydrogen 2.745 N/A CYS 72.A N GLY 68.A O no hydrogen 2.771 N/A CYS 72.A SG GLY 68.A O no hydrogen 3.879 N/A THR 73.A N LYS 70.A O no hydrogen 3.084 N/A THR 73.A OG1 LYS 70.A O no hydrogen 2.610 N/A THR 80.A N LEU 77.A O no hydrogen 2.295 N/A THR 80.A OG1 LEU 77.A O no hydrogen 3.288 N/A TYR 81.A N LEU 77.A O no hydrogen 3.254 N/A CYS 87.A N MET 84.A O no hydrogen 3.077 N/A CYS 88.A N ALA 85.A O no hydrogen 3.026 N/A ALA 89.A N ASP 86.A O no hydrogen 3.050 N/A GLU 94.A N GLN 91.A O no hydrogen 3.233 N/A ARG 95.A NE GLU 92.A OE2 no hydrogen 3.116 N/A ARG 95.A NH1 ASP 69.A OD1 no hydrogen 3.529 N/A ARG 95.A NH2 HIS 64.A O no hydrogen 3.430 N/A ARG 95.A NH2 GLU 92.A OE2 no hydrogen 3.142 N/A ASN 96.A ND2 HIS 244.A O no hydrogen 3.231 N/A CYS 98.A N GLU 94.A O no hydrogen 2.930 N/A PHE 99.A N ARG 95.A O no hydrogen 2.657 N/A LEU 100.A N ASN 96.A O no hydrogen 2.842 N/A GLN 101.A N GLU 97.A O no hydrogen 3.335 N/A HIS 102.A N PHE 99.A O no hydrogen 2.613 N/A HIS 102.A ND1 CYS 98.A O no hydrogen 3.079 N/A LYS 103.A N LEU 100.A O no hydrogen 3.138 N/A LYS 103.A NZ PRO 144.A O no hydrogen 3.148 N/A ASP 104.A N GLN 29.A OE1 no hydrogen 2.697 N/A ASN 106.A N ASP 104.A OD1 no hydrogen 2.774 N/A LEU 109.A N PRO 107.A O no hydrogen 2.854 N/A ARG 114.A NH2 ASP 180.A OD1 no hydrogen 3.041 N/A MET 120.A N GLU 116.A O no hydrogen 3.307 N/A CYS 121.A N VAL 117.A O no hydrogen 2.910 N/A THR 122.A N ASP 118.A O no hydrogen 2.643 N/A THR 122.A OG1 ASP 118.A O no hydrogen 2.744 N/A ALA 123.A N VAL 119.A O no hydrogen 2.948 N/A PHE 124.A N MET 120.A O no hydrogen 3.025 N/A HIS 125.A ND1 CYS 121.A O no hydrogen 3.177 N/A ASP 126.A N THR 122.A O no hydrogen 3.183 N/A PHE 131.A N ASN 127.A O no hydrogen 3.132 N/A LEU 132.A N GLU 128.A O no hydrogen 3.157 N/A LYS 133.A N GLU 129.A O no hydrogen 2.911 N/A LYS 134.A N THR 130.A O no hydrogen 2.862 N/A TYR 135.A N PHE 131.A O no hydrogen 2.987 N/A LEU 136.A N LEU 132.A O no hydrogen 2.934 N/A TYR 137.A N LYS 133.A O no hydrogen 3.133 N/A TYR 137.A OH CYS 31.A O no hydrogen 2.700 N/A GLU 138.A N LYS 134.A O no hydrogen 3.057 N/A ILE 139.A N TYR 135.A O no hydrogen 3.196 N/A ALA 140.A N LEU 136.A O no hydrogen 2.744 N/A ARG 141.A N TYR 137.A O no hydrogen 3.011 N/A ARG 141.A NE GLN 29.A O no hydrogen 3.185 N/A ARG 141.A NH1 GLU 138.A OE1 no hydrogen 3.101 N/A ARG 141.A NH2 GLN 29.A O no hydrogen 3.072 N/A ARG 141.A NH2 CYS 31.A O no hydrogen 3.524 N/A ARG 142.A N ILE 139.A O no hydrogen 3.142 N/A ARG 142.A NH1 GLU 138.A O no hydrogen 2.706 N/A ARG 142.A NH1 GLU 138.A OE1 no hydrogen 3.128 N/A ARG 142.A NH2 PRO 110.A O no hydrogen 2.757 N/A HIS 143.A N ILE 139.A O no hydrogen 2.903 N/A PHE 146.A N HIS 143.A O no hydrogen 3.198 N/A GLU 150.A N TYR 147.A O no hydrogen 2.945 N/A LEU 151.A N TYR 147.A O no hydrogen 3.242 N/A LEU 152.A N ALA 148.A O no hydrogen 3.300 N/A PHE 153.A N PRO 149.A O no hydrogen 3.305 N/A PHE 154.A N GLU 150.A O no hydrogen 2.954 N/A ALA 155.A N LEU 151.A O no hydrogen 2.793 N/A LYS 156.A N LEU 152.A O no hydrogen 2.779 N/A LYS 156.A NZ GLU 282.A OE1 no hydrogen 3.411 N/A LYS 156.A NZ GLU 282.A OE2 no hydrogen 2.837 N/A ARG 157.A N PHE 153.A O no hydrogen 2.882 N/A ARG 157.A NH1 GLU 185.A OE1 no hydrogen 3.461 N/A TYR 158.A N PHE 154.A O no hydrogen 2.560 N/A LYS 159.A N ALA 155.A O no hydrogen 3.006 N/A ALA 160.A N LYS 156.A O no hydrogen 2.906 N/A ALA 161.A N ARG 157.A O no hydrogen 2.973 N/A PHE 162.A N TYR 158.A O no hydrogen 3.031 N/A THR 163.A N LYS 159.A O no hydrogen 2.716 N/A THR 163.A OG1 LYS 159.A O no hydrogen 3.117 N/A GLU 164.A N ALA 160.A O no hydrogen 3.288 N/A CYS 165.A N ALA 161.A O no hydrogen 2.859 N/A CYS 165.A SG ALA 161.A O no hydrogen 3.067 N/A CYS 166.A N PHE 162.A O no hydrogen 3.113 N/A CYS 166.A SG CYS 121.A O no hydrogen 3.877 N/A CYS 166.A SG PHE 162.A O no hydrogen 3.398 N/A GLN 167.A N GLU 164.A O no hydrogen 2.931 N/A ALA 168.A N CYS 165.A O no hydrogen 3.435 N/A ALA 173.A N ASP 170.A OD1 no hydrogen 3.449 N/A CYS 174.A N ASP 170.A O no hydrogen 3.473 N/A CYS 174.A SG GLU 164.A OE2 no hydrogen 3.887 N/A LEU 175.A N LYS 171.A O no hydrogen 3.001 N/A LEU 176.A N ALA 172.A O no hydrogen 3.128 N/A LYS 178.A NZ GLU 164.A OE1 no hydrogen 3.467 N/A LEU 179.A N LEU 175.A O no hydrogen 3.019 N/A ASP 180.A N LEU 176.A O no hydrogen 2.750 N/A GLU 181.A N PRO 177.A O no hydrogen 2.763 N/A LEU 182.A N LYS 178.A O no hydrogen 2.975 N/A ARG 183.A N LEU 179.A O no hydrogen 2.636 N/A ARG 183.A NH1 ASP 184.A OD2 no hydrogen 2.795 N/A ASP 184.A N ASP 180.A O no hydrogen 2.858 N/A GLU 185.A N GLU 181.A O no hydrogen 2.874 N/A GLY 186.A N LEU 182.A O no hydrogen 2.959 N/A LYS 187.A N ARG 183.A O no hydrogen 3.462 N/A ALA 188.A N ASP 184.A O no hydrogen 3.383 N/A SER 189.A N GLU 185.A O no hydrogen 2.721 N/A SER 190.A N GLY 186.A O no hydrogen 2.538 N/A SER 190.A OG HIS 143.A ND1 no hydrogen 3.358 N/A ALA 191.A N LYS 187.A O no hydrogen 3.043 N/A LYS 192.A N ALA 188.A O no hydrogen 3.182 N/A GLN 193.A N SER 189.A O no hydrogen 3.425 N/A ARG 194.A N SER 190.A O no hydrogen 3.040 N/A ARG 194.A NE ASP 105.A OD1 no hydrogen 2.680 N/A ARG 194.A NH2 ASP 105.A OD2 no hydrogen 2.874 N/A LEU 195.A N ALA 191.A O no hydrogen 2.949 N/A LYS 196.A N LYS 192.A O no hydrogen 3.317 N/A CYS 197.A N GLN 193.A O no hydrogen 2.988 N/A ALA 198.A N ARG 194.A O no hydrogen 3.055 N/A SER 199.A N LEU 195.A O no hydrogen 3.019 N/A SER 199.A OG LEU 195.A O no hydrogen 3.010 N/A LEU 200.A N LYS 196.A O no hydrogen 3.209 N/A GLN 201.A N CYS 197.A O no hydrogen 2.909 N/A LYS 202.A N ALA 198.A O no hydrogen 2.603 N/A LYS 202.A NZ GLU 462.A OE2 no hydrogen 3.535 N/A PHE 203.A N SER 199.A O no hydrogen 2.862 N/A GLY 204.A N SER 199.A O no hydrogen 2.756 N/A ARG 206.A NH2 ASP 321.A OD1 no hydrogen 2.910 N/A PHE 208.A N GLY 204.A O no hydrogen 3.162 N/A LYS 209.A N GLU 205.A O no hydrogen 2.567 N/A ALA 210.A N ARG 206.A O no hydrogen 3.300 N/A TRP 211.A N ALA 207.A O no hydrogen 3.298 N/A ALA 212.A N PHE 208.A O no hydrogen 2.776 N/A VAL 213.A N LYS 209.A O no hydrogen 2.677 N/A ALA 214.A N ALA 210.A O no hydrogen 2.848 N/A ARG 215.A N TRP 211.A O no hydrogen 3.034 N/A LEU 216.A N ALA 212.A O no hydrogen 2.752 N/A SER 217.A N VAL 213.A O no hydrogen 2.941 N/A SER 217.A OG VAL 213.A O no hydrogen 2.730 N/A GLN 218.A N ALA 214.A O no hydrogen 3.203 N/A GLN 218.A NE2 HIS 335.A O no hydrogen 3.252 N/A GLN 218.A NE2 TYR 338.A O no hydrogen 2.877 N/A ARG 219.A N ARG 215.A O no hydrogen 3.272 N/A ARG 219.A NE VAL 290.A O no hydrogen 2.839 N/A PHE 220.A N LEU 216.A O no hydrogen 2.833 N/A ALA 223.A N PHE 220.A O no hydrogen 3.143 N/A GLU 227.A N GLU 224.A O no hydrogen 3.046 N/A VAL 228.A N GLU 224.A O no hydrogen 3.248 N/A SER 229.A N PHE 225.A O no hydrogen 3.186 N/A SER 229.A OG PHE 225.A O no hydrogen 2.868 N/A LYS 230.A NZ ASP 234.A OD2 no hydrogen 3.492 N/A LEU 231.A N GLU 227.A O no hydrogen 3.174 N/A VAL 232.A N VAL 228.A O no hydrogen 2.760 N/A THR 233.A N SER 229.A O no hydrogen 2.896 N/A THR 233.A OG1 SER 229.A O no hydrogen 2.575 N/A ASP 234.A N LYS 230.A O no hydrogen 3.223 N/A LEU 235.A N LEU 231.A O no hydrogen 2.662 N/A THR 236.A N VAL 232.A O no hydrogen 2.606 N/A THR 236.A OG1 VAL 232.A O no hydrogen 3.057 N/A LYS 237.A N THR 233.A O no hydrogen 2.956 N/A LYS 237.A NZ ASP 253.A OD2 no hydrogen 3.027 N/A VAL 238.A N ASP 234.A O no hydrogen 3.130 N/A VAL 238.A N LEU 235.A O no hydrogen 3.144 N/A HIS 239.A N LEU 235.A O no hydrogen 3.222 N/A THR 240.A N THR 236.A O no hydrogen 2.808 N/A THR 240.A OG1 THR 236.A O no hydrogen 2.881 N/A GLU 241.A N LYS 237.A O no hydrogen 3.105 N/A CYS 242.A N VAL 238.A O no hydrogen 3.043 N/A CYS 243.A N HIS 239.A O no hydrogen 3.152 N/A CYS 243.A SG HIS 239.A O no hydrogen 3.218 N/A HIS 244.A N THR 240.A O no hydrogen 2.907 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.706 N/A CYS 250.A N ASP 246.A O no hydrogen 2.976 N/A CYS 250.A SG VAL 238.A O no hydrogen 3.900 N/A ALA 251.A N LEU 247.A O no hydrogen 2.951 N/A ASP 252.A N LEU 248.A O no hydrogen 3.068 N/A ASP 253.A N GLU 249.A O no hydrogen 2.791 N/A ARG 254.A N CYS 250.A O no hydrogen 2.949 N/A ARG 254.A NH2 GLU 150.A OE2 no hydrogen 3.269 N/A ALA 255.A N ALA 251.A O no hydrogen 3.033 N/A ASP 256.A N ASP 252.A O no hydrogen 2.903 N/A LEU 257.A N ASP 253.A O no hydrogen 2.811 N/A ALA 258.A N ARG 254.A O no hydrogen 2.790 N/A LYS 259.A N ALA 255.A O no hydrogen 3.241 N/A TYR 260.A N ASP 256.A O no hydrogen 2.992 N/A TYR 260.A OH GLU 227.A OE1 no hydrogen 3.212 N/A ILE 261.A N LEU 257.A O no hydrogen 3.258 N/A CYS 262.A N ALA 258.A O no hydrogen 3.049 N/A CYS 262.A SG ALA 258.A O no hydrogen 3.518 N/A GLU 263.A N LYS 259.A O no hydrogen 3.190 N/A ASN 264.A N TYR 260.A O no hydrogen 3.048 N/A GLN 265.A NE2 CYS 262.A O no hydrogen 3.442 N/A SER 269.A N GLN 265.A O no hydrogen 3.346 N/A SER 270.A N ASP 293.A OD2 no hydrogen 2.812 N/A SER 270.A OG ASP 293.A OD1 no hydrogen 2.733 N/A LYS 271.A NZ GLU 294.A OE2 no hydrogen 2.887 N/A CYS 276.A N LEU 272.A O no hydrogen 3.124 N/A CYS 276.A SG LEU 272.A O no hydrogen 3.391 N/A LYS 278.A N CYS 275.A O no hydrogen 3.090 N/A LYS 283.A N PRO 279.A O no hydrogen 2.815 N/A HIS 285.A N LEU 281.A O no hydrogen 3.226 N/A HIS 285.A ND1 GLU 150.A OE1 no hydrogen 3.165 N/A HIS 285.A ND1 GLU 150.A OE2 no hydrogen 2.856 N/A CYS 286.A N GLU 282.A O no hydrogen 2.861 N/A ILE 287.A N LYS 283.A O no hydrogen 2.947 N/A ALA 288.A N SER 284.A O no hydrogen 2.934 N/A GLU 289.A N CYS 286.A O no hydrogen 2.815 N/A VAL 290.A N ILE 287.A O no hydrogen 3.513 N/A ASP 293.A N ARG 219.A O no hydrogen 3.022 N/A GLU 294.A N ASP 293.A OD1 no hydrogen 2.624 N/A ASP 305.A N LEU 302.A O no hydrogen 2.654 N/A PHE 306.A N LEU 302.A O no hydrogen 2.962 N/A VAL 307.A N ALA 303.A O no hydrogen 2.438 N/A GLU 308.A N ALA 303.A O no hydrogen 3.074 N/A SER 309.A N ALA 304.A O no hydrogen 3.151 N/A ASP 311.A N SER 309.A OG no hydrogen 3.259 N/A LYS 314.A NZ GLU 318.A OE2 no hydrogen 3.308 N/A ASN 315.A N ASP 311.A O no hydrogen 2.795 N/A TYR 316.A N VAL 312.A O no hydrogen 2.751 N/A TYR 316.A OH GLU 355.A OE2 no hydrogen 2.944 N/A ALA 317.A N CYS 313.A O no hydrogen 2.846 N/A GLU 318.A N LYS 314.A O no hydrogen 3.054 N/A ALA 319.A N ASN 315.A O no hydrogen 3.298 N/A PHE 323.A N ALA 319.A O no hydrogen 2.801 N/A LEU 324.A N LYS 320.A O no hydrogen 2.783 N/A GLY 325.A N ASP 321.A O no hydrogen 2.978 N/A MET 326.A N VAL 322.A O no hydrogen 2.780 N/A PHE 327.A N PHE 323.A O no hydrogen 2.988 N/A LEU 328.A N LEU 324.A O no hydrogen 2.807 N/A TYR 329.A N GLY 325.A O no hydrogen 2.802 N/A TYR 329.A OH ALA 223.A O no hydrogen 2.698 N/A GLU 330.A N MET 326.A O no hydrogen 2.990 N/A TYR 331.A N PHE 327.A O no hydrogen 2.854 N/A ALA 332.A N LEU 328.A O no hydrogen 2.702 N/A ARG 333.A N TYR 329.A O no hydrogen 2.953 N/A ARG 333.A NH2 ALA 223.A O no hydrogen 3.490 N/A ARG 334.A N GLU 330.A O no hydrogen 3.347 N/A ARG 334.A NH2 GLU 330.A OE1 no hydrogen 3.161 N/A HIS 335.A N TYR 331.A O no hydrogen 3.211 N/A HIS 335.A N ALA 332.A O no hydrogen 2.911 N/A ASP 337.A N ASP 337.A OD1 no hydrogen 2.689 N/A TYR 338.A N HIS 335.A O no hydrogen 3.373 N/A SER 339.A OG GLU 447.A OE1 no hydrogen 2.903 N/A VAL 340.A N ASP 448.A OD2 no hydrogen 3.243 N/A LEU 342.A N SER 339.A OG no hydrogen 3.025 N/A LEU 343.A N SER 339.A O no hydrogen 3.238 N/A LEU 344.A N VAL 340.A O no hydrogen 2.813 N/A ARG 345.A N VAL 341.A O no hydrogen 2.600 N/A ARG 345.A NH1 GLU 447.A OE2 no hydrogen 2.900 N/A ARG 345.A NH2 GLU 447.A OE2 no hydrogen 3.162 N/A ARG 345.A NH2 VAL 479.A O no hydrogen 2.768 N/A LEU 346.A N LEU 342.A O no hydrogen 2.809 N/A ALA 347.A N LEU 343.A O no hydrogen 2.990 N/A LYS 348.A N LEU 344.A O no hydrogen 3.048 N/A LYS 348.A NZ GLU 351.A OE1 no hydrogen 3.388 N/A THR 349.A N ARG 345.A O no hydrogen 2.736 N/A THR 349.A OG1 ARG 345.A O no hydrogen 2.686 N/A TYR 350.A N LEU 346.A O no hydrogen 2.751 N/A TYR 350.A OH PHE 306.A O no hydrogen 2.743 N/A GLU 351.A N ALA 347.A O no hydrogen 3.269 N/A THR 352.A N LYS 348.A O no hydrogen 2.964 N/A THR 352.A OG1 LYS 348.A O no hydrogen 3.282 N/A THR 352.A OG1 THR 349.A O no hydrogen 3.021 N/A THR 353.A N THR 349.A O no hydrogen 3.300 N/A THR 353.A OG1 THR 349.A O no hydrogen 2.764 N/A LEU 354.A N TYR 350.A O no hydrogen 3.109 N/A GLU 355.A N GLU 351.A O no hydrogen 2.869 N/A LYS 356.A N THR 352.A O no hydrogen 3.172 N/A CYS 357.A N THR 353.A O no hydrogen 3.015 N/A CYS 357.A N LEU 354.A O no hydrogen 3.157 N/A CYS 357.A SG THR 353.A O no hydrogen 3.675 N/A CYS 357.A SG PRO 363.A O no hydrogen 3.969 N/A CYS 358.A N LEU 354.A O no hydrogen 3.132 N/A CYS 358.A SG LEU 354.A O no hydrogen 3.540 N/A GLU 365.A N ASP 362.A O no hydrogen 2.906 N/A CYS 366.A N ASP 362.A O no hydrogen 2.998 N/A CYS 366.A SG ASP 362.A O no hydrogen 3.324 N/A CYS 366.A SG PRO 363.A O no hydrogen 3.294 N/A TYR 367.A N PRO 363.A O no hydrogen 2.978 N/A TYR 367.A OH VAL 307.A O no hydrogen 3.383 N/A TYR 367.A OH SER 309.A O no hydrogen 3.384 N/A VAL 370.A N TYR 367.A O no hydrogen 3.052 N/A ASP 372.A N LYS 369.A O no hydrogen 3.213 N/A GLU 373.A N VAL 370.A O no hydrogen 2.994 N/A LYS 375.A N ASP 372.A O no hydrogen 3.290 N/A VAL 378.A N PHE 374.A O no hydrogen 2.949 N/A VAL 378.A N LYS 375.A O no hydrogen 3.108 N/A GLU 379.A N LYS 375.A O no hydrogen 3.145 N/A GLU 380.A N PRO 376.A O no hydrogen 3.135 N/A ASN 383.A N GLU 379.A O no hydrogen 3.172 N/A LEU 384.A N GLU 380.A O no hydrogen 3.426 N/A ILE 385.A N PRO 381.A O no hydrogen 2.958 N/A LYS 386.A N GLN 382.A O no hydrogen 3.218 N/A GLN 387.A N ASN 383.A O no hydrogen 3.252 N/A ASN 388.A N LEU 384.A O no hydrogen 3.282 N/A CYS 389.A N ILE 385.A O no hydrogen 3.047 N/A GLU 390.A N LYS 386.A O no hydrogen 2.997 N/A LEU 391.A N GLN 387.A O no hydrogen 3.235 N/A PHE 392.A N ASN 388.A O no hydrogen 2.833 N/A PHE 392.A N CYS 389.A O no hydrogen 2.918 N/A GLU 393.A N CYS 389.A O no hydrogen 3.156 N/A GLN 394.A N GLU 390.A O no hydrogen 3.085 N/A LEU 395.A N LEU 391.A O no hydrogen 3.180 N/A GLY 396.A N PHE 392.A O no hydrogen 2.968 N/A PHE 400.A N GLY 396.A O no hydrogen 2.961 N/A GLN 401.A N GLU 397.A O no hydrogen 2.896 N/A GLN 401.A NE2 ARG 425.A O no hydrogen 2.881 N/A ASN 402.A N TYR 398.A O no hydrogen 3.240 N/A ALA 403.A N LYS 399.A O no hydrogen 2.930 N/A LEU 404.A N GLN 401.A O no hydrogen 2.481 N/A LEU 405.A N GLN 401.A O no hydrogen 2.878 N/A VAL 406.A N ASN 402.A O no hydrogen 3.029 N/A ARG 407.A N ALA 403.A O no hydrogen 2.973 N/A TYR 408.A N LEU 404.A O no hydrogen 2.855 N/A THR 409.A N LEU 405.A O no hydrogen 2.961 N/A THR 409.A OG1 LEU 405.A O no hydrogen 2.559 N/A LYS 410.A N VAL 406.A O no hydrogen 3.158 N/A LYS 410.A NZ THR 537.A OG1 no hydrogen 3.090 N/A LYS 411.A N ARG 407.A O no hydrogen 3.033 N/A LYS 411.A NZ PHE 485.A O no hydrogen 3.214 N/A VAL 412.A N TYR 408.A O no hydrogen 2.712 N/A VAL 412.A N THR 409.A O no hydrogen 3.255 N/A VAL 415.A N VAL 412.A O no hydrogen 3.355 N/A THR 417.A OG1 GLU 528.A OE2 no hydrogen 2.817 N/A THR 419.A N SER 416.A OG no hydrogen 3.095 N/A THR 419.A OG1 SER 416.A OG no hydrogen 3.133 N/A LEU 420.A N SER 416.A O no hydrogen 3.108 N/A VAL 421.A N THR 417.A O no hydrogen 3.103 N/A GLU 422.A N PRO 418.A O no hydrogen 3.127 N/A VAL 423.A N THR 419.A O no hydrogen 2.903 N/A SER 424.A N LEU 420.A O no hydrogen 2.737 N/A SER 424.A OG LEU 420.A O no hydrogen 2.981 N/A ARG 425.A N VAL 421.A O no hydrogen 2.853 N/A ARG 425.A NE GLN 523.A OE1 no hydrogen 3.422 N/A ASN 426.A N GLU 422.A O no hydrogen 2.942 N/A ASN 426.A ND2 GLN 456.A OE1 no hydrogen 3.692 N/A LEU 427.A N VAL 423.A O no hydrogen 2.919 N/A GLY 428.A N SER 424.A O no hydrogen 2.842 N/A LYS 429.A N ARG 425.A O no hydrogen 3.140 N/A GLY 431.A N GLY 428.A O no hydrogen 2.835 N/A SER 432.A OG GLU 397.A OE1 no hydrogen 2.839 N/A LYS 433.A N LYS 429.A O no hydrogen 3.193 N/A CYS 434.A N VAL 430.A O no hydrogen 2.483 N/A CYS 435.A N GLY 431.A O no hydrogen 3.082 N/A LYS 436.A NZ LYS 436.A O no hydrogen 3.351 N/A HIS 437.A N CYS 434.A O no hydrogen 2.918 N/A ARG 442.A N PRO 438.A O no hydrogen 3.063 N/A ALA 446.A N ARG 442.A O no hydrogen 2.918 N/A GLU 447.A N MET 443.A O no hydrogen 3.021 N/A ASP 448.A N PRO 444.A O no hydrogen 3.257 N/A TYR 449.A N CYS 445.A O no hydrogen 3.023 N/A TYR 449.A OH ASN 426.A O no hydrogen 3.416 N/A LEU 450.A N ALA 446.A O no hydrogen 2.793 N/A SER 451.A N GLU 447.A O no hydrogen 3.116 N/A VAL 453.A N TYR 449.A O no hydrogen 3.182 N/A LEU 454.A N LEU 450.A O no hydrogen 2.860 N/A ASN 455.A N SER 451.A O no hydrogen 3.143 N/A GLN 456.A N VAL 452.A O no hydrogen 3.069 N/A LEU 457.A N VAL 453.A O no hydrogen 3.273 N/A CYS 458.A N LEU 454.A O no hydrogen 2.936 N/A CYS 458.A SG LEU 454.A O no hydrogen 3.502 N/A VAL 459.A N ASN 455.A O no hydrogen 2.920 N/A LEU 460.A N GLN 456.A O no hydrogen 2.864 N/A HIS 461.A N CYS 458.A O no hydrogen 3.299 N/A HIS 461.A NE2 THR 471.A OG1 no hydrogen 3.063 N/A GLU 462.A N CYS 458.A O no hydrogen 2.915 N/A LYS 463.A NZ ASP 104.A OD1 no hydrogen 2.667 N/A LYS 463.A NZ ASP 104.A OD2 no hydrogen 3.127 N/A ARG 469.A NH1 GLU 489.A O no hydrogen 3.144 N/A VAL 470.A N SER 467.A OG no hydrogen 3.102 N/A THR 471.A N SER 467.A O no hydrogen 3.038 N/A THR 471.A OG1 HIS 461.A NE2 no hydrogen 3.063 N/A THR 471.A OG1 SER 467.A O no hydrogen 2.622 N/A LYS 472.A N ASP 468.A O no hydrogen 2.620 N/A LYS 472.A NZ GLU 476.A OE1 no hydrogen 3.464 N/A LYS 472.A NZ GLU 476.A OE2 no hydrogen 3.102 N/A CYS 473.A N ARG 469.A O no hydrogen 3.253 N/A CYS 473.A SG ARG 469.A O no hydrogen 3.741 N/A CYS 474.A N VAL 470.A O no hydrogen 3.088 N/A CYS 474.A SG VAL 470.A O no hydrogen 3.374 N/A THR 475.A N LYS 472.A O no hydrogen 3.048 N/A THR 475.A OG1 THR 471.A O no hydrogen 2.654 N/A GLU 476.A N LYS 472.A O no hydrogen 3.197 N/A SER 477.A OG ASN 480.A OD1 no hydrogen 2.883 N/A ASN 480.A N SER 477.A OG no hydrogen 2.990 N/A ARG 481.A N LEU 478.A O no hydrogen 3.384 N/A ARG 481.A NE CYS 474.A O no hydrogen 3.420 N/A ARG 481.A NH1 ASN 455.A OD1 no hydrogen 3.116 N/A ARG 481.A NH2 CYS 474.A O no hydrogen 3.225 N/A ARG 482.A NE GLU 447.A OE2 no hydrogen 3.153 N/A ARG 482.A NH1 GLU 380.A OE2 no hydrogen 3.542 N/A ARG 482.A NH2 GLU 380.A OE1 no hydrogen 3.341 N/A ARG 482.A NH2 GLU 380.A OE2 no hydrogen 3.391 N/A ARG 482.A NH2 GLU 447.A OE2 no hydrogen 3.485 N/A CYS 484.A N ASN 480.A O no hydrogen 2.984 N/A PHE 485.A N ARG 481.A O no hydrogen 2.785 N/A SER 486.A N ARG 482.A O no hydrogen 2.737 N/A SER 486.A OG ARG 482.A O no hydrogen 2.523 N/A ALA 487.A N PRO 483.A O no hydrogen 2.958 N/A LEU 488.A N PHE 485.A O no hydrogen 3.203 N/A ASP 491.A N LYS 410.A O no hydrogen 3.174 N/A THR 493.A OG1 ASP 491.A OD1 no hydrogen 3.367 N/A LYS 497.A N LYS 531.A O no hydrogen 3.283 N/A GLU 498.A N PRO 496.A O no hydrogen 3.203 N/A ASN 500.A ND2 THR 503.A OG1 no hydrogen 2.678 N/A ASN 500.A ND2 GLU 528.A OE1 no hydrogen 2.673 N/A PHE 504.A N ALA 501.A O no hydrogen 3.279 N/A THR 505.A OG1 GLU 502.A O no hydrogen 3.563 N/A CYS 511.A SG ALA 508.A O no hydrogen 3.907 N/A THR 512.A OG1 ASP 509.A O no hydrogen 2.926 N/A LEU 513.A N ILE 510.A O no hydrogen 3.270 N/A SER 514.A OG GLU 517.A OE1 no hydrogen 2.901 N/A ARG 518.A N SER 514.A O no hydrogen 2.760 N/A GLN 519.A N GLU 515.A O no hydrogen 2.816 N/A ILE 520.A N LYS 516.A O no hydrogen 2.646 N/A LYS 521.A N ARG 518.A O no hydrogen 3.115 N/A LYS 522.A N ARG 518.A O no hydrogen 3.171 N/A GLN 523.A N GLN 519.A O no hydrogen 2.802 N/A GLN 523.A NE2 GLN 401.A OE1 no hydrogen 3.275 N/A GLN 523.A NE2 ASN 402.A OD1 no hydrogen 3.292 N/A THR 524.A N ILE 520.A O no hydrogen 3.034 N/A THR 524.A OG1 ILE 520.A O no hydrogen 2.764 N/A ALA 525.A N LYS 521.A O no hydrogen 2.907 N/A LEU 526.A N LYS 522.A O no hydrogen 3.023 N/A VAL 527.A N GLN 523.A O no hydrogen 3.112 N/A GLU 528.A N THR 524.A O no hydrogen 3.031 N/A LEU 529.A N ALA 525.A O no hydrogen 2.779 N/A VAL 530.A N LEU 526.A O no hydrogen 3.416 N/A LYS 531.A N VAL 527.A O no hydrogen 3.057 N/A LYS 531.A NZ VAL 415.A O no hydrogen 3.038 N/A LYS 531.A NZ THR 417.A OG1 no hydrogen 2.531 N/A HIS 532.A N LEU 529.A O no hydrogen 3.258 N/A LYS 533.A N LEU 529.A O no hydrogen 2.972 N/A LYS 533.A NZ GLN 577.A O no hydrogen 3.445 N/A LYS 533.A NZ ALA 578.A O no hydrogen 2.815 N/A LYS 533.A NZ ALA 579.A O no hydrogen 3.089 N/A THR 537.A OG1 PRO 534.A O no hydrogen 2.495 N/A THR 537.A OG1 LYS 535.A O no hydrogen 2.988 N/A ALA 543.A N GLU 539.A O no hydrogen 3.049 N/A VAL 544.A N GLN 540.A O no hydrogen 3.412 N/A MET 545.A N LEU 541.A O no hydrogen 2.455 N/A ASP 546.A N LYS 542.A O no hydrogen 3.087 N/A ASP 547.A N ALA 543.A O no hydrogen 3.006 N/A PHE 548.A N VAL 544.A O no hydrogen 3.202 N/A ALA 549.A N MET 545.A O no hydrogen 2.969 N/A ALA 550.A N ASP 546.A O no hydrogen 2.717 N/A PHE 551.A N ASP 547.A O no hydrogen 3.026 N/A VAL 552.A N PHE 548.A O no hydrogen 3.005 N/A GLU 553.A N ALA 549.A O no hydrogen 3.276 N/A LYS 554.A N ALA 550.A O no hydrogen 2.828 N/A CYS 555.A N PHE 551.A O no hydrogen 2.814 N/A CYS 556.A N VAL 552.A O no hydrogen 3.114 N/A CYS 556.A SG VAL 552.A O no hydrogen 3.565 N/A LYS 557.A N GLU 553.A O no hydrogen 3.484 N/A LYS 561.A N THR 563.A OG1 no hydrogen 2.924 N/A CYS 564.A SG ASP 560.A OD2 no hydrogen 3.717 N/A GLU 567.A N THR 563.A O no hydrogen 2.611 N/A GLY 569.A N ALA 566.A O no hydrogen 3.204 N/A LYS 570.A N GLU 567.A O no hydrogen 3.268 N/A LEU 572.A N GLU 568.A O no hydrogen 3.276 N/A VAL 573.A N GLY 569.A O no hydrogen 3.020 N/A ALA 574.A N LYS 570.A O no hydrogen 3.254 N/A ALA 575.A N LYS 571.A O no hydrogen 2.872 N/A SER 576.A N LEU 572.A O no hydrogen 2.826 N/A SER 576.A OG LEU 572.A O no hydrogen 2.550 N/A SER 576.A OG VAL 573.A O no hydrogen 3.289 N/A GLN 577.A NE2 GLN 577.A O no hydrogen 2.850 N/A ALA 579.A N ALA 575.A O no hydrogen 3.055 N/A