Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qf6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N TYR 13.A O no hydrogen 2.530 N/A VAL 2.A N ASP 53.A OD1 no hydrogen 2.711 N/A ILE 3.A N ARG 11.A O no hydrogen 2.791 N/A THR 4.A N ALA 54.A O no hydrogen 3.021 N/A LEU 5.A N SER 9.A O no hydrogen 2.831 N/A GLY 8.A N LEU 5.A O no hydrogen 2.733 N/A SER 9.A OG ASP 7.A OD2 no hydrogen 2.634 N/A ARG 11.A N ILE 3.A O no hydrogen 2.839 N/A ARG 11.A NE ASP 25.A OD1 no hydrogen 3.193 N/A ARG 11.A NH2 ASP 25.A O no hydrogen 2.871 N/A ARG 11.A NH2 ASP 25.A OD1 no hydrogen 3.282 N/A TYR 13.A N PRO 1.A O no hydrogen 3.110 N/A SER 18.A N ASP 21.A OD2 no hydrogen 2.694 N/A SER 18.A OG ALA 46.A O no hydrogen 3.277 N/A MET 20.A N ALA 46.A O no hydrogen 2.941 N/A ASP 21.A N SER 18.A OG no hydrogen 3.049 N/A VAL 22.A N SER 18.A O no hydrogen 2.866 N/A ALA 23.A N PRO 19.A O no hydrogen 2.712 N/A LEU 24.A N MET 20.A O no hydrogen 2.991 N/A ASP 25.A N ASP 21.A O no hydrogen 3.121 N/A ILE 26.A N ALA 23.A O no hydrogen 2.825 N/A GLY 27.A N ALA 23.A O no hydrogen 3.003 N/A ALA 31.A N GLY 27.A O no hydrogen 3.178 N/A LYS 32.A N PRO 28.A O no hydrogen 3.257 N/A ALA 33.A N GLY 29.A O no hydrogen 2.978 N/A ALA 33.A N LEU 30.A O no hydrogen 3.205 N/A CYS 34.A N LEU 30.A O no hydrogen 3.171 N/A ILE 35.A N ILE 59.A O no hydrogen 2.848 N/A ALA 36.A N ILE 59.A O no hydrogen 3.478 N/A GLY 37.A N VAL 44.A O no hydrogen 2.981 N/A ARG 38.A N SER 57.A O no hydrogen 2.805 N/A VAL 39.A N GLU 42.A O no hydrogen 2.866 N/A ASN 40.A N GLN 55.A O no hydrogen 2.995 N/A ASN 40.A ND2 ASP 53.A O no hydrogen 3.455 N/A GLU 42.A N VAL 39.A O no hydrogen 2.820 N/A VAL 44.A N GLY 37.A O no hydrogen 2.899 N/A ASP 48.A N ASP 45.A O no hydrogen 2.897 N/A ILE 50.A N VAL 17.A O no hydrogen 2.543 N/A ALA 54.A N VAL 2.A O no hydrogen 3.224 N/A GLN 55.A N ASN 40.A OD1 no hydrogen 3.143 N/A LEU 56.A N THR 4.A O no hydrogen 2.912 N/A SER 57.A OG ARG 38.A O no hydrogen 3.044 N/A ILE 59.A N ALA 36.A O no hydrogen 2.609 N/A THR 60.A N ASP 63.A OD2 no hydrogen 2.609 N/A THR 60.A OG1 ALA 33.A O no hydrogen 3.293 N/A ASP 63.A N THR 60.A O no hydrogen 2.697 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.857 N/A GLY 66.A N ASP 63.A O no hydrogen 2.763 N/A LEU 67.A N ASP 63.A O no hydrogen 3.248 N/A GLU 68.A N GLU 64.A O no hydrogen 3.396 N/A ILE 69.A N GLU 65.A O no hydrogen 2.896 N/A ILE 70.A N GLY 66.A O no hydrogen 2.692 N/A ARG 71.A N LEU 67.A O no hydrogen 2.828 N/A ARG 71.A NH1 ALA 221.A O no hydrogen 2.572 N/A HIS 72.A N GLU 68.A O no hydrogen 2.777 N/A SER 73.A N ILE 69.A O no hydrogen 2.863 N/A SER 73.A OG ILE 69.A O no hydrogen 2.969 N/A CYS 74.A N ILE 70.A O no hydrogen 2.953 N/A CYS 74.A SG ILE 70.A O no hydrogen 3.412 N/A ALA 75.A N ARG 71.A O no hydrogen 3.122 N/A HIS 76.A N HIS 72.A O no hydrogen 3.164 N/A LEU 77.A N SER 73.A O no hydrogen 2.758 N/A LEU 78.A N CYS 74.A O no hydrogen 2.826 N/A GLY 79.A N ALA 75.A O no hydrogen 3.318 N/A HIS 80.A N HIS 76.A O no hydrogen 2.840 N/A HIS 80.A NE2 GLU 176.A OE2 no hydrogen 2.754 N/A ALA 81.A N LEU 77.A O no hydrogen 2.945 N/A ILE 82.A N LEU 78.A O no hydrogen 2.705 N/A LYS 83.A N GLY 79.A O no hydrogen 3.062 N/A LYS 83.A NZ PRO 87.A O no hydrogen 3.477 N/A LYS 83.A NZ GLU 152.A OE2 no hydrogen 2.999 N/A GLN 84.A N ALA 81.A O no hydrogen 2.573 N/A LEU 85.A N ALA 81.A O no hydrogen 3.083 N/A TRP 86.A N ILE 82.A O no hydrogen 3.072 N/A THR 89.A N TRP 86.A O no hydrogen 3.094 N/A THR 89.A OG1 TRP 86.A O no hydrogen 2.689 N/A LYS 90.A N ASP 106.A O no hydrogen 2.854 N/A LYS 90.A NZ SER 153.A OG no hydrogen 2.499 N/A MET 91.A N GLU 152.A OE1 no hydrogen 2.773 N/A ALA 92.A N ASP 104.A O no hydrogen 3.059 N/A ILE 97.A N GLY 100.A O no hydrogen 3.063 N/A GLY 100.A N ILE 97.A O no hydrogen 2.965 N/A PHE 101.A N GLY 219.A O no hydrogen 3.232 N/A TYR 102.A N PRO 95.A O no hydrogen 3.284 N/A TYR 103.A N ILE 217.A O no hydrogen 3.096 N/A TYR 103.A OH ASP 179.A OD2 no hydrogen 2.937 N/A ASP 104.A N ILE 93.A O no hydrogen 2.891 N/A VAL 105.A N GLN 215.A O no hydrogen 2.958 N/A ASP 106.A N LYS 90.A O no hydrogen 2.859 N/A ARG 109.A NH1 ASP 115.A OD2 no hydrogen 2.503 N/A ARG 109.A NH2 ASP 115.A OD1 no hydrogen 3.204 N/A ARG 109.A NH2 ASP 115.A OD2 no hydrogen 2.996 N/A LEU 111.A N GLN 215.A OE1 no hydrogen 3.184 N/A THR 112.A N ASP 115.A OD2 no hydrogen 3.079 N/A THR 112.A OG1 GLU 114.A OE1 no hydrogen 3.209 N/A GLU 114.A N THR 112.A OG1 no hydrogen 3.260 N/A ASP 115.A N THR 112.A OG1 no hydrogen 3.297 N/A VAL 116.A N THR 112.A O no hydrogen 2.993 N/A GLU 117.A N GLN 113.A O no hydrogen 3.335 N/A ALA 118.A N GLU 114.A O no hydrogen 2.853 N/A LEU 119.A N ASP 115.A O no hydrogen 2.731 N/A GLU 120.A N VAL 116.A O no hydrogen 3.152 N/A LYS 121.A N GLU 117.A O no hydrogen 3.111 N/A ARG 122.A N ALA 118.A O no hydrogen 2.947 N/A ARG 122.A NE GLU 125.A OE1 no hydrogen 3.431 N/A MET 123.A N LEU 119.A O no hydrogen 2.713 N/A HIS 124.A N GLU 120.A O no hydrogen 2.966 N/A HIS 124.A ND1 GLU 120.A O no hydrogen 2.983 N/A GLU 125.A N LYS 121.A O no hydrogen 3.071 N/A LEU 126.A N ARG 122.A O no hydrogen 3.047 N/A ALA 127.A N MET 123.A O no hydrogen 3.174 N/A GLU 128.A N HIS 124.A O no hydrogen 3.155 N/A GLU 128.A N GLU 125.A O no hydrogen 3.116 N/A LYS 129.A N GLU 125.A O no hydrogen 3.318 N/A LYS 129.A N LEU 126.A O no hydrogen 3.093 N/A LYS 129.A NZ GLU 175.A OE1 no hydrogen 3.545 N/A ASN 130.A N ALA 127.A O no hydrogen 3.355 N/A TYR 131.A OH HIS 80.A ND1 no hydrogen 3.381 N/A TYR 131.A OH HIS 174.A ND1 no hydrogen 2.937 N/A VAL 133.A N PRO 187.A O no hydrogen 2.752 N/A ILE 134.A N PHE 173.A O no hydrogen 3.126 N/A LYS 135.A NZ ASP 45.A OD1 no hydrogen 2.948 N/A LYS 135.A NZ ASP 48.A OD1 no hydrogen 3.060 N/A LYS 135.A NZ ASP 48.A OD2 no hydrogen 3.103 N/A LYS 136.A N LEU 171.A O no hydrogen 3.058 N/A LYS 137.A NZ LYS 168.A O no hydrogen 2.859 N/A VAL 138.A N PRO 169.A O no hydrogen 3.336 N/A TRP 140.A NE1 LEU 159.A O no hydrogen 2.953 N/A GLU 142.A N SER 139.A OG no hydrogen 3.252 N/A ALA 143.A N SER 139.A O no hydrogen 3.161 N/A ARG 144.A NH2 ASP 160.A OD2 no hydrogen 3.177 N/A GLU 145.A N HIS 141.A O no hydrogen 2.630 N/A THR 146.A N GLU 142.A O no hydrogen 2.435 N/A THR 146.A OG1 GLU 142.A O no hydrogen 2.905 N/A PHE 147.A N ALA 143.A O no hydrogen 3.305 N/A ALA 148.A N ARG 144.A O no hydrogen 2.859 N/A ASN 149.A N GLU 145.A O no hydrogen 2.875 N/A ARG 150.A NH1 GLU 176.A O no hydrogen 2.927 N/A GLY 151.A N ALA 148.A O no hydrogen 3.309 N/A GLU 152.A N PHE 147.A O no hydrogen 2.985 N/A SER 153.A OG GLY 151.A O no hydrogen 3.495 N/A TYR 154.A OH ASP 106.A OD2 no hydrogen 2.672 N/A LYS 155.A NZ ALA 92.A O no hydrogen 2.851 N/A LYS 155.A NZ TYR 103.A OH no hydrogen 2.807 N/A LYS 155.A NZ ASP 179.A OD1 no hydrogen 2.861 N/A VAL 156.A N GLU 152.A O no hydrogen 3.211 N/A SER 157.A N SER 153.A O no hydrogen 3.114 N/A SER 157.A OG SER 153.A O no hydrogen 2.827 N/A SER 157.A OG TYR 154.A O no hydrogen 3.143 N/A ILE 158.A N TYR 154.A O no hydrogen 3.072 N/A LEU 159.A N LYS 155.A O no hydrogen 2.983 N/A ASP 160.A N VAL 156.A O no hydrogen 2.731 N/A GLU 161.A N SER 157.A O no hydrogen 2.722 N/A ASN 162.A N ILE 158.A O no hydrogen 2.845 N/A LYS 168.A N ASP 167.A OD1 no hydrogen 3.139 N/A LYS 168.A NZ ASP 167.A OD1 no hydrogen 2.707 N/A LEU 171.A N LYS 136.A O no hydrogen 3.139 N/A TYR 172.A N ASP 179.A O no hydrogen 2.808 N/A TYR 172.A OH ASP 45.A OD1 no hydrogen 2.663 N/A TYR 172.A OH ASP 45.A OD2 no hydrogen 2.944 N/A PHE 173.A N ILE 134.A O no hydrogen 2.817 N/A HIS 174.A N TYR 177.A O no hydrogen 2.909 N/A HIS 174.A ND1 TYR 131.A OH no hydrogen 2.937 N/A TYR 177.A N HIS 174.A O no hydrogen 2.958 N/A TYR 177.A OH ASP 179.A OD2 no hydrogen 3.221 N/A ASP 179.A N TYR 172.A O no hydrogen 3.141 N/A MET 180.A N ASP 179.A OD1 no hydrogen 3.256 N/A HIS 185.A N ASP 45.A OD2 no hydrogen 2.833 N/A VAL 186.A N SER 73.A OG no hydrogen 3.030 N/A ASN 188.A ND2 ASN 130.A O no hydrogen 3.017 N/A ASN 188.A ND2 TYR 131.A O no hydrogen 3.568 N/A MET 189.A N TYR 131.A O no hydrogen 2.892 N/A CYS 192.A N MET 189.A O no hydrogen 2.729 N/A CYS 192.A SG ILE 70.A O no hydrogen 3.702 N/A LYS 196.A N THR 220.A O no hydrogen 3.242 N/A LEU 197.A N GLU 120.A OE1 no hydrogen 2.776 N/A MET 198.A N TYR 218.A O no hydrogen 2.785 N/A ALA 201.A N ARG 216.A O no hydrogen 3.198 N/A ALA 203.A N LEU 214.A O no hydrogen 2.878 N/A TRP 205.A N LYS 212.A O no hydrogen 2.761 N/A GLY 207.A N TYR 204.A O no hydrogen 3.406 N/A ASP 208.A N TRP 205.A O no hydrogen 3.243 N/A ASN 210.A N ASP 208.A OD1 no hydrogen 2.603 N/A ASN 210.A ND2 ASP 208.A OD1 no hydrogen 2.962 N/A ASN 211.A N ASP 208.A O no hydrogen 2.812 N/A ASN 211.A ND2 TRP 205.A O no hydrogen 2.517 N/A LYS 212.A NZ ASP 106.A OD1 no hydrogen 3.363 N/A LYS 212.A NZ ASP 106.A OD2 no hydrogen 2.998 N/A LEU 214.A N ALA 203.A O no hydrogen 2.719 N/A GLN 215.A N VAL 105.A O no hydrogen 3.009 N/A GLN 215.A NE2 LEU 107.A O no hydrogen 3.631 N/A GLN 215.A NE2 ARG 109.A O no hydrogen 3.203 N/A ARG 216.A N ALA 201.A O no hydrogen 2.724 N/A ARG 216.A NE ASP 104.A OD1 no hydrogen 2.697 N/A ARG 216.A NH1 TYR 218.A OH no hydrogen 3.441 N/A ARG 216.A NH2 ASP 104.A OD1 no hydrogen 3.520 N/A ARG 216.A NH2 ASP 104.A OD2 no hydrogen 3.101 N/A ILE 217.A N TYR 103.A O no hydrogen 2.870 N/A TYR 218.A N LYS 199.A O no hydrogen 3.137 N/A GLY 219.A N PHE 101.A O no hydrogen 2.866 N/A THR 220.A N LYS 196.A O no hydrogen 2.929 N/A TRP 222.A N HIS 194.A O no hydrogen 2.947 N/A ALA 227.A N ASP 224.A OD2 no hydrogen 3.003 N/A LEU 228.A N ASP 224.A O no hydrogen 3.201 N/A ASN 229.A N LYS 225.A O no hydrogen 3.041 N/A ALA 230.A N LYS 226.A O no hydrogen 2.831 N/A TYR 231.A N ALA 227.A O no hydrogen 3.043 N/A LEU 232.A N LEU 228.A O no hydrogen 3.184 N/A GLN 233.A N ASN 229.A O no hydrogen 2.940 N/A ARG 234.A N ALA 230.A O no hydrogen 2.822 N/A LEU 235.A N TYR 231.A O no hydrogen 2.842 N/A GLU 236.A N LEU 232.A O no hydrogen 3.068 N/A GLU 237.A N GLN 233.A O no hydrogen 2.924 N/A ALA 238.A N ARG 234.A O no hydrogen 2.827 N/A ALA 239.A N LEU 235.A O no hydrogen 3.003 N/A LYS 240.A N GLU 237.A O no hydrogen 3.282 N/A LYS 240.A NZ GLU 237.A OE1 no hydrogen 3.475 N/A LYS 240.A NZ GLU 237.A OE2 no hydrogen 3.286 N/A ARG 241.A N ALA 238.A O no hydrogen 2.910 N/A ARG 241.A NH1 GLU 527.A O no hydrogen 3.214 N/A HIS 243.A N GLU 526.A OE2 no hydrogen 2.597 N/A HIS 243.A ND1 GLU 526.A OE2 no hydrogen 2.829 N/A ARG 244.A N ASP 242.A OD2 no hydrogen 2.878 N/A ARG 244.A NE ASP 242.A OD1 no hydrogen 3.431 N/A ARG 244.A NE ASP 242.A OD2 no hydrogen 2.763 N/A ARG 244.A NH2 ASP 242.A OD1 no hydrogen 2.807 N/A LYS 245.A N ASP 242.A O no hydrogen 3.005 N/A ILE 246.A N ASP 242.A O no hydrogen 3.127 N/A GLY 247.A N HIS 243.A O no hydrogen 2.578 N/A LYS 248.A N ARG 244.A O no hydrogen 3.390 N/A GLN 249.A N LYS 245.A O no hydrogen 2.823 N/A LEU 250.A N ILE 246.A O no hydrogen 2.708 N/A ASP 251.A N LYS 248.A O no hydrogen 2.889 N/A LEU 252.A N GLY 247.A O no hydrogen 2.832 N/A HIS 254.A N PHE 264.A O no hydrogen 3.060 N/A HIS 254.A NE2 GLN 256.A OE1 no hydrogen 2.983 N/A GLN 256.A NE2 GLU 258.A OE2 no hydrogen 3.145 N/A ALA 259.A N GLN 256.A O no hydrogen 2.885 N/A MET 262.A N ALA 259.A O no hydrogen 3.070 N/A PHE 264.A N HIS 254.A O no hydrogen 2.877 N/A HIS 266.A N LEU 252.A O no hydrogen 3.033 N/A TRP 270.A N HIS 266.A O no hydrogen 2.862 N/A THR 271.A N ASN 267.A O no hydrogen 2.987 N/A THR 271.A N ASP 268.A O no hydrogen 3.270 N/A THR 271.A OG1 ASN 267.A O no hydrogen 3.040 N/A ILE 272.A N ASP 268.A O no hydrogen 3.427 N/A PHE 273.A N GLY 269.A O no hydrogen 3.068 N/A ARG 274.A N TRP 270.A O no hydrogen 2.888 N/A GLU 275.A N THR 271.A O no hydrogen 3.061 N/A GLU 275.A N ILE 272.A O no hydrogen 3.174 N/A LEU 276.A N ILE 272.A O no hydrogen 3.131 N/A GLU 277.A N PHE 273.A O no hydrogen 2.947 N/A VAL 278.A N ARG 274.A O no hydrogen 3.100 N/A PHE 279.A N GLU 275.A O no hydrogen 3.009 N/A VAL 280.A N LEU 276.A O no hydrogen 2.812 N/A ARG 281.A N GLU 277.A O no hydrogen 3.067 N/A ARG 281.A NE GLU 291.A OE1 no hydrogen 2.613 N/A ARG 281.A NH1 GLU 277.A OE1 no hydrogen 3.425 N/A ARG 281.A NH2 GLU 291.A OE1 no hydrogen 3.282 N/A ARG 281.A NH2 GLU 291.A OE2 no hydrogen 3.204 N/A SER 282.A N VAL 278.A O no hydrogen 2.856 N/A SER 282.A OG PHE 279.A O no hydrogen 2.908 N/A LYS 283.A N PHE 279.A O no hydrogen 3.221 N/A LYS 283.A NZ GLU 286.A OE1 no hydrogen 3.473 N/A LYS 283.A NZ GLU 286.A OE2 no hydrogen 3.248 N/A LYS 283.A NZ ASP 405.A OD1 no hydrogen 2.689 N/A LYS 283.A NZ ASP 405.A OD2 no hydrogen 3.037 N/A LEU 284.A N VAL 280.A O no hydrogen 2.796 N/A LYS 285.A N ARG 281.A O no hydrogen 3.042 N/A GLU 286.A N SER 282.A O no hydrogen 3.426 N/A TYR 287.A N LYS 283.A O no hydrogen 3.089 N/A TYR 287.A OH ASP 405.A OD2 no hydrogen 2.612 N/A GLN 288.A N LYS 285.A O no hydrogen 3.162 N/A TYR 289.A N LEU 284.A O no hydrogen 2.932 N/A GLN 290.A N ARG 353.A O no hydrogen 2.763 N/A VAL 292.A N ALA 355.A O no hydrogen 2.824 N/A LYS 293.A NZ GLU 356.A OE2 no hydrogen 3.290 N/A LYS 293.A NZ PHE 357.A O no hydrogen 3.315 N/A GLY 294.A N GLU 356.A OE2 no hydrogen 2.989 N/A MET 298.A N CYS 327.A O no hydrogen 3.126 N/A ARG 300.A N GLU 325.A O no hydrogen 2.934 N/A ARG 300.A NH2 GLU 304.A OE2 no hydrogen 3.151 N/A VAL 301.A N ASP 299.A OD1 no hydrogen 2.953 N/A LEU 302.A N ASP 299.A O no hydrogen 3.184 N/A TRP 303.A N ARG 300.A O no hydrogen 2.651 N/A GLU 304.A N ARG 300.A O no hydrogen 3.183 N/A LYS 305.A N VAL 301.A O no hydrogen 2.853 N/A THR 306.A OG1 TRP 303.A O no hydrogen 3.199 N/A THR 306.A OG1 HIS 308.A ND1 no hydrogen 2.897 N/A GLY 307.A N TRP 303.A O no hydrogen 3.295 N/A GLY 307.A N GLU 304.A O no hydrogen 3.134 N/A HIS 308.A N THR 306.A OG1 no hydrogen 3.279 N/A HIS 308.A ND1 THR 306.A OG1 no hydrogen 2.897 N/A TRP 309.A N TRP 303.A O no hydrogen 2.959 N/A ASP 310.A N GLY 307.A O no hydrogen 3.115 N/A ASN 311.A N GLY 307.A O no hydrogen 3.282 N/A TYR 312.A N HIS 308.A O no hydrogen 2.828 N/A ALA 315.A N TYR 312.A O no hydrogen 2.997 N/A THR 318.A OG1 GLU 325.A OE2 no hydrogen 3.042 N/A THR 319.A N TYR 326.A O no hydrogen 3.219 N/A SER 320.A OG GLU 325.A OE2 no hydrogen 3.301 N/A SER 321.A N ARG 324.A O no hydrogen 2.799 N/A SER 321.A OG ARG 324.A O no hydrogen 3.414 N/A ARG 324.A N SER 321.A O no hydrogen 3.448 N/A ARG 324.A NE ASP 299.A OD2 no hydrogen 3.037 N/A TYR 326.A N THR 319.A O no hydrogen 2.834 N/A CYS 327.A N MET 298.A O no hydrogen 2.736 N/A ILE 328.A N PHE 317.A O no hydrogen 3.079 N/A LYS 329.A N PHE 296.A O no hydrogen 2.831 N/A LYS 329.A NZ ASN 332.A OD1 no hydrogen 2.770 N/A ASN 332.A ND2 ASP 382.A OD1 no hydrogen 2.838 N/A CYS 333.A SG HIS 384.A NE2 no hydrogen 3.169 N/A CYS 333.A SG HIS 510.A ND1 no hydrogen 3.373 N/A HIS 336.A N ASN 332.A O no hydrogen 3.109 N/A HIS 336.A ND1 HIS 384.A ND1 no hydrogen 2.830 N/A VAL 337.A N CYS 333.A O no hydrogen 3.045 N/A GLN 338.A N PRO 334.A O no hydrogen 2.896 N/A GLN 338.A NE2 PRO 334.A O no hydrogen 3.409 N/A ILE 339.A N GLY 335.A O no hydrogen 3.287 N/A PHE 340.A N HIS 336.A O no hydrogen 2.934 N/A ASN 341.A N VAL 337.A O no hydrogen 2.920 N/A GLN 342.A N ILE 339.A O no hydrogen 2.917 N/A LYS 345.A NZ PHE 340.A O no hydrogen 2.904 N/A SER 346.A N ASP 349.A OD2 no hydrogen 2.843 N/A TYR 347.A N VAL 497.A O no hydrogen 2.823 N/A ARG 348.A N SER 346.A OG no hydrogen 2.972 N/A ASP 349.A N SER 346.A O no hydrogen 2.709 N/A LEU 352.A N PHE 386.A O no hydrogen 2.706 N/A ARG 353.A NE GLU 395.A OE2 no hydrogen 2.690 N/A ARG 353.A NH1 GLN 288.A O no hydrogen 3.518 N/A ARG 353.A NH2 GLU 395.A OE2 no hydrogen 2.726 N/A MET 354.A N HIS 384.A O no hydrogen 3.110 N/A ALA 355.A N GLN 290.A O no hydrogen 2.688 N/A GLU 356.A N ASP 382.A O no hydrogen 2.904 N/A GLY 358.A N GLN 380.A O no hydrogen 2.941 N/A CYS 360.A N PHE 378.A O no hydrogen 2.808 N/A CYS 360.A SG PRO 330.A O no hydrogen 3.376 N/A CYS 360.A SG ASN 332.A OD1 no hydrogen 4.032 N/A CYS 360.A SG GLY 358.A O no hydrogen 3.746 N/A HIS 361.A N LYS 329.A O no hydrogen 3.069 N/A ARG 362.A N ARG 376.A O no hydrogen 2.967 N/A ARG 362.A NE PRO 330.A O no hydrogen 2.822 N/A ARG 362.A NH2 PRO 330.A O no hydrogen 3.098 N/A ASN 363.A N ALA 315.A O no hydrogen 3.024 N/A GLU 364.A N ARG 362.A O no hydrogen 3.101 N/A SER 368.A N PRO 365.A O no hydrogen 2.639 N/A SER 368.A OG PRO 365.A O no hydrogen 2.659 N/A HIS 370.A N ARG 374.A O no hydrogen 2.843 N/A LEU 372.A N HIS 243.A NE2 no hydrogen 3.037 N/A ARG 374.A N HIS 370.A O no hydrogen 3.048 N/A ARG 374.A NH2 GLU 364.A OE1 no hydrogen 2.498 N/A ARG 376.A N GLY 261.A O no hydrogen 2.609 N/A ARG 376.A NE GLU 364.A O no hydrogen 3.181 N/A ARG 376.A NH2 GLU 364.A O no hydrogen 3.080 N/A PHE 378.A N CYS 360.A O no hydrogen 2.896 N/A THR 379.A N GLU 518.A OE2 no hydrogen 2.528 N/A THR 379.A OG1 GLU 518.A OE2 no hydrogen 3.487 N/A GLN 380.A N GLY 358.A O no hydrogen 2.983 N/A ASP 381.A N GLY 515.A O no hydrogen 3.410 N/A ASP 382.A N GLU 356.A O no hydrogen 3.241 N/A ALA 383.A N ARG 511.A O no hydrogen 2.941 N/A HIS 384.A N MET 354.A O no hydrogen 2.873 N/A HIS 384.A ND1 HIS 336.A ND1 no hydrogen 2.830 N/A ILE 385.A N ILE 509.A O no hydrogen 2.799 N/A PHE 386.A N LEU 352.A O no hydrogen 2.736 N/A CYS 387.A N VAL 507.A O no hydrogen 2.825 N/A CYS 387.A SG THR 388.A O no hydrogen 3.939 N/A CYS 387.A SG VAL 507.A O no hydrogen 3.841 N/A THR 388.A N GLN 391.A OE1 no hydrogen 2.582 N/A THR 388.A OG1 GLN 391.A OE1 no hydrogen 2.717 N/A GLN 391.A N THR 388.A O no hydrogen 2.624 N/A ILE 392.A N GLU 389.A O no hydrogen 3.088 N/A GLU 395.A N GLN 391.A O no hydrogen 3.022 N/A VAL 396.A N ILE 392.A O no hydrogen 2.824 N/A ASN 397.A N ARG 393.A O no hydrogen 2.944 N/A GLY 398.A N ASP 394.A O no hydrogen 3.072 N/A CYS 399.A N GLU 395.A O no hydrogen 3.087 N/A CYS 399.A SG GLU 395.A O no hydrogen 3.678 N/A ILE 400.A N VAL 396.A O no hydrogen 2.994 N/A ARG 401.A N ASN 397.A O no hydrogen 2.984 N/A LEU 402.A N GLY 398.A O no hydrogen 3.064 N/A VAL 403.A N CYS 399.A O no hydrogen 2.952 N/A TYR 404.A N ILE 400.A O no hydrogen 3.425 N/A ASP 405.A N ARG 401.A O no hydrogen 2.894 N/A MET 406.A N LEU 402.A O no hydrogen 2.968 N/A TYR 407.A N VAL 403.A O no hydrogen 2.927 N/A TYR 407.A OH ILE 513.A O no hydrogen 2.623 N/A SER 408.A N TYR 404.A O no hydrogen 3.108 N/A SER 408.A OG ASP 405.A O no hydrogen 2.740 N/A THR 409.A N MET 406.A O no hydrogen 2.937 N/A THR 409.A OG1 MET 406.A O no hydrogen 3.479 N/A PHE 410.A N TYR 407.A O no hydrogen 3.090 N/A GLY 411.A N SER 408.A O no hydrogen 3.268 N/A PHE 412.A N TYR 407.A O no hydrogen 3.522 N/A LYS 414.A NZ ASP 474.A OD1 no hydrogen 2.830 N/A VAL 416.A N THR 468.A O no hydrogen 3.190 N/A LYS 418.A N GLU 466.A O no hydrogen 3.059 N/A LEU 419.A N GLU 452.A O no hydrogen 3.007 N/A SER 420.A N LYS 464.A O no hydrogen 2.779 N/A SER 420.A OG GLN 454.A OE1 no hydrogen 3.538 N/A SER 420.A OG GLU 466.A OE2 no hydrogen 2.633 N/A THR 421.A N GLN 454.A O no hydrogen 3.369 N/A ARG 422.A N GLU 437.A OE2 no hydrogen 2.813 N/A ARG 422.A NH1 ASP 434.A OD1 no hydrogen 2.885 N/A ARG 422.A NH1 GLU 437.A OE1 no hydrogen 2.848 N/A ARG 422.A NH2 ASP 430.A O no hydrogen 2.969 N/A ARG 422.A NH2 ASP 434.A OD1 no hydrogen 3.227 N/A ARG 426.A NH1 PRO 423.A O no hydrogen 2.899 N/A ILE 427.A N PHE 460.A O no hydrogen 3.027 N/A SER 429.A OG GLU 431.A OE1 no hydrogen 3.015 N/A MET 432.A N SER 429.A OG no hydrogen 3.103 N/A TRP 433.A N SER 429.A O no hydrogen 2.993 N/A TRP 433.A NE1 ILE 427.A O no hydrogen 2.898 N/A ARG 435.A N GLU 431.A O no hydrogen 3.013 N/A ALA 436.A N MET 432.A O no hydrogen 2.968 N/A GLU 437.A N TRP 433.A O no hydrogen 2.710 N/A ALA 438.A N ASP 434.A O no hydrogen 3.028 N/A ASP 439.A N ARG 435.A O no hydrogen 3.005 N/A LEU 440.A N ALA 436.A O no hydrogen 3.152 N/A ALA 441.A N GLU 437.A O no hydrogen 3.018 N/A VAL 442.A N ALA 438.A O no hydrogen 2.870 N/A ALA 443.A N ASP 439.A O no hydrogen 3.020 N/A LEU 444.A N LEU 440.A O no hydrogen 2.900 N/A GLU 445.A N ALA 441.A O no hydrogen 2.951 N/A GLU 446.A N VAL 442.A O no hydrogen 2.773 N/A ASN 447.A N LEU 444.A O no hydrogen 3.063 N/A ASN 447.A ND2 ALA 443.A O no hydrogen 2.445 N/A ASN 448.A N GLU 445.A O no hydrogen 2.721 N/A ILE 449.A N LEU 444.A O no hydrogen 3.101 N/A GLU 452.A N VAL 417.A O no hydrogen 3.329 N/A GLN 454.A N LEU 419.A O no hydrogen 2.919 N/A TYR 461.A OH GLN 483.A OE1 no hydrogen 2.581 N/A GLY 462.A N ALA 459.A O no hydrogen 2.959 N/A LYS 464.A N SER 420.A O no hydrogen 3.036 N/A ILE 465.A N VAL 482.A O no hydrogen 2.933 N/A GLU 466.A N LYS 418.A O no hydrogen 2.962 N/A PHE 467.A N GLY 480.A O no hydrogen 2.829 N/A THR 468.A N VAL 416.A O no hydrogen 2.958 N/A THR 468.A OG1 LEU 469.A O no hydrogen 3.537 N/A LEU 469.A N TRP 477.A O no hydrogen 2.962 N/A ASP 471.A N ARG 475.A O no hydrogen 3.174 N/A CYS 472.A N GLU 526.A OE1 no hydrogen 2.753 N/A CYS 472.A SG ASP 242.A OD1 no hydrogen 3.913 N/A CYS 472.A SG GLU 526.A OE1 no hydrogen 2.796 N/A LEU 473.A N ASP 471.A OD1 no hydrogen 3.030 N/A ASP 474.A N ASP 471.A O no hydrogen 2.845 N/A ARG 475.A N ASP 471.A OD1 no hydrogen 2.788 N/A ARG 475.A NE ASP 471.A OD2 no hydrogen 2.810 N/A ARG 475.A NH2 ASP 471.A OD2 no hydrogen 3.244 N/A TRP 477.A N LEU 469.A O no hydrogen 2.960 N/A TRP 477.A NE1 ASP 471.A OD2 no hydrogen 3.385 N/A CYS 479.A N PHE 467.A O no hydrogen 2.810 N/A CYS 479.A SG TRP 477.A O no hydrogen 3.784 N/A THR 481.A N ALA 512.A O no hydrogen 2.861 N/A VAL 482.A N ILE 465.A O no hydrogen 2.955 N/A GLN 483.A N HIS 510.A O no hydrogen 2.783 N/A LEU 484.A N PRO 463.A O no hydrogen 3.446 N/A ASP 485.A N MET 508.A O no hydrogen 2.909 N/A SER 487.A N ASP 485.A OD1 no hydrogen 2.958 N/A LEU 488.A N ASP 485.A OD1 no hydrogen 3.043 N/A ARG 491.A N SER 487.A O no hydrogen 3.422 N/A LEU 492.A N LEU 488.A O no hydrogen 2.788 N/A SER 493.A N SER 490.A O no hydrogen 2.746 N/A ALA 494.A N PRO 489.A O no hydrogen 2.720 N/A TYR 496.A N LYS 504.A O no hydrogen 2.853 N/A VAL 497.A N LYS 345.A O no hydrogen 2.792 N/A GLY 498.A N GLU 502.A O no hydrogen 2.643 N/A ASN 501.A N GLY 498.A O no hydrogen 2.902 N/A GLU 502.A N ASP 500.A OD1 no hydrogen 3.010 N/A LYS 504.A N TYR 496.A O no hydrogen 2.862 N/A LYS 504.A NZ ASP 500.A OD2 no hydrogen 3.478 N/A VAL 507.A N CYS 387.A O no hydrogen 2.681 N/A MET 508.A N ASP 485.A O no hydrogen 3.229 N/A ILE 509.A N ILE 385.A O no hydrogen 2.846 N/A HIS 510.A N GLN 483.A O no hydrogen 2.879 N/A HIS 510.A NE2 ASP 485.A OD2 no hydrogen 3.000 N/A ARG 511.A N ALA 383.A O no hydrogen 3.102 N/A ARG 511.A NE ARG 511.A O no hydrogen 2.568 N/A ARG 511.A NH2 ASP 381.A O no hydrogen 3.318 N/A ALA 512.A N THR 481.A O no hydrogen 3.034 N/A ILE 513.A N ASP 381.A OD2 no hydrogen 3.282 N/A LEU 514.A N ASP 381.A OD1 no hydrogen 2.949 N/A LEU 514.A N ASP 381.A OD2 no hydrogen 3.226 N/A GLY 515.A N ASP 381.A OD1 no hydrogen 2.967 N/A MET 517.A N THR 379.A O no hydrogen 2.603 N/A ARG 519.A N SER 516.A OG no hydrogen 2.921 N/A ARG 519.A NE MET 373.A O no hydrogen 2.753 N/A ARG 519.A NH1 GLN 478.A O no hydrogen 2.771 N/A ARG 519.A NH2 MET 373.A O no hydrogen 3.146 N/A PHE 520.A N SER 516.A O no hydrogen 3.073 N/A ILE 521.A N MET 517.A O no hydrogen 3.105 N/A GLY 522.A N GLU 518.A O no hydrogen 2.889 N/A ILE 523.A N ARG 519.A O no hydrogen 3.097 N/A LEU 524.A N PHE 520.A O no hydrogen 2.749 N/A THR 525.A N ILE 521.A O no hydrogen 3.038 N/A THR 525.A OG1 ILE 521.A O no hydrogen 3.065 N/A GLU 526.A N GLY 522.A O no hydrogen 3.366 N/A GLU 527.A N ILE 523.A O no hydrogen 2.964 N/A PHE 528.A N LEU 524.A O no hydrogen 2.843 N/A GLY 530.A N THR 525.A O no hydrogen 3.014 N/A PHE 531.A N PHE 528.A O no hydrogen 2.683 N/A PHE 532.A N GLY 530.A O no hydrogen 2.941 N/A THR 534.A OG1 GLU 630.A OE2 no hydrogen 2.680 N/A LEU 536.A N PRO 533.A O no hydrogen 2.511 N/A ALA 537.A N PRO 533.A O no hydrogen 3.137 N/A ALA 537.A N THR 534.A O no hydrogen 3.316 N/A GLN 540.A N ARG 567.A O no hydrogen 2.819 N/A GLN 540.A NE2 THR 534.A O no hydrogen 2.879 N/A VAL 541.A N ARG 567.A O no hydrogen 3.100 N/A VAL 542.A N TYR 591.A O no hydrogen 2.949 N/A ILE 543.A N LYS 569.A O no hydrogen 3.151 N/A MET 544.A N LEU 593.A O no hydrogen 2.584 N/A ASN 545.A ND2 THR 547.A O no hydrogen 3.275 N/A ILE 546.A N GLN 550.A OE1 no hydrogen 2.777 N/A THR 547.A N GLN 550.A OE1 no hydrogen 2.641 N/A THR 547.A OG1 SER 549.A OG no hydrogen 2.959 N/A THR 547.A OG1 GLN 550.A OE1 no hydrogen 3.252 N/A SER 549.A OG THR 547.A OG1 no hydrogen 2.959 N/A GLN 550.A NE2 THR 547.A OG1 no hydrogen 3.007 N/A SER 551.A N ASP 548.A O no hydrogen 2.955 N/A SER 551.A OG ASP 548.A O no hydrogen 2.981 N/A TYR 553.A N GLN 550.A O no hydrogen 2.726 N/A TYR 553.A OH GLY 603.A O no hydrogen 2.517 N/A TYR 553.A OH LYS 604.A O no hydrogen 2.845 N/A VAL 554.A N GLN 550.A O no hydrogen 2.940 N/A ASN 555.A N SER 551.A O no hydrogen 2.956 N/A LEU 557.A N TYR 553.A O no hydrogen 2.841 N/A THR 558.A N VAL 554.A O no hydrogen 2.741 N/A THR 558.A OG1 VAL 554.A O no hydrogen 3.463 N/A THR 558.A OG1 ASN 555.A O no hydrogen 2.940 N/A GLN 559.A N ASN 555.A O no hydrogen 2.785 N/A GLN 559.A NE2 ASN 563.A OD1 no hydrogen 3.081 N/A LYS 560.A N GLU 556.A O no hydrogen 3.139 N/A LEU 561.A N LEU 557.A O no hydrogen 3.188 N/A SER 562.A N THR 558.A O no hydrogen 2.951 N/A ASN 563.A N GLN 559.A O no hydrogen 3.039 N/A ALA 564.A N LEU 561.A O no hydrogen 3.153 N/A GLY 565.A N SER 562.A O no hydrogen 2.786 N/A ILE 566.A N LEU 561.A O no hydrogen 3.089 N/A ARG 567.A N GLN 540.A OE1 no hydrogen 2.711 N/A ARG 567.A NH1 PRO 538.A O no hydrogen 3.568 N/A ARG 567.A NH2 TRP 535.A O no hydrogen 3.051 N/A LYS 569.A N VAL 541.A O no hydrogen 2.984 N/A ASP 571.A N ILE 543.A O no hydrogen 3.023 N/A ARG 573.A N ASP 571.A OD1 no hydrogen 2.903 N/A ARG 573.A NH1 ASP 571.A OD1 no hydrogen 2.870 N/A GLU 575.A N ARG 573.A O no hydrogen 2.955 N/A PHE 579.A N LYS 576.A O no hydrogen 2.542 N/A LYS 580.A N LYS 576.A O no hydrogen 3.093 N/A LYS 580.A NZ ASN 545.A O no hydrogen 3.509 N/A LYS 580.A NZ ASP 571.A O no hydrogen 2.908 N/A LYS 580.A NZ ARG 573.A O no hydrogen 2.599 N/A ILE 581.A N ILE 577.A O no hydrogen 3.039 N/A ARG 582.A N GLY 578.A O no hydrogen 3.111 N/A GLU 583.A N PHE 579.A O no hydrogen 3.203 N/A HIS 584.A N LYS 580.A O no hydrogen 3.104 N/A HIS 584.A ND1 LYS 580.A O no hydrogen 3.170 N/A THR 585.A N ILE 581.A O no hydrogen 3.025 N/A THR 585.A OG1 ILE 581.A O no hydrogen 3.037 N/A LEU 586.A N ARG 582.A O no hydrogen 2.879 N/A ARG 587.A N GLU 583.A O no hydrogen 2.845 N/A ARG 588.A N THR 585.A O no hydrogen 3.061 N/A VAL 589.A N HIS 584.A O no hydrogen 2.983 N/A TYR 591.A N GLN 540.A O no hydrogen 3.132 N/A TYR 591.A OH GLU 630.A OE1 no hydrogen 2.560 N/A MET 592.A N ARG 608.A O no hydrogen 3.060 N/A LEU 593.A N VAL 542.A O no hydrogen 2.597 N/A VAL 594.A N ALA 606.A O no hydrogen 3.100 N/A GLY 596.A N GLU 599.A OE1 no hydrogen 2.758 N/A GLU 599.A N GLY 596.A O no hydrogen 2.839 N/A VAL 600.A N GLY 596.A O no hydrogen 3.172 N/A SER 602.A OG ASP 597.A O no hydrogen 3.335 N/A SER 602.A OG LYS 598.A O no hydrogen 2.845 N/A GLY 603.A N VAL 600.A O no hydrogen 3.396 N/A LYS 604.A N SER 602.A O no hydrogen 3.149 N/A LYS 604.A NZ ASP 619.A OD2 no hydrogen 3.415 N/A VAL 605.A N MET 618.A O no hydrogen 3.020 N/A ALA 606.A N VAL 594.A O no hydrogen 3.154 N/A ARG 608.A N MET 592.A O no hydrogen 3.333 N/A THR 609.A N LYS 613.A O no hydrogen 3.329 N/A THR 609.A OG1 GLN 638.A OE1 no hydrogen 3.043 N/A ARG 610.A NH2 PHE 532.A O no hydrogen 2.679 N/A ARG 611.A N THR 609.A OG1 no hydrogen 3.382 N/A LYS 613.A NZ GLU 640.A O no hydrogen 2.731 N/A LEU 615.A N VAL 607.A O no hydrogen 2.847 N/A MET 618.A N VAL 605.A O no hydrogen 2.932 N/A GLU 622.A N ASP 619.A O no hydrogen 2.832 N/A VAL 623.A N ASP 619.A O no hydrogen 3.094 N/A ILE 624.A N VAL 620.A O no hydrogen 3.161 N/A GLU 625.A N ASN 621.A O no hydrogen 3.349 N/A LYS 626.A N GLU 622.A O no hydrogen 2.888 N/A LYS 626.A NZ GLU 622.A OE2 no hydrogen 2.947 N/A LYS 626.A NZ GLU 640.A OE2 no hydrogen 2.972 N/A LEU 627.A N VAL 623.A O no hydrogen 2.936 N/A GLN 628.A N ILE 624.A O no hydrogen 2.967 N/A GLN 628.A NE2 ALA 564.A O no hydrogen 2.916 N/A GLN 629.A N GLU 625.A O no hydrogen 3.115 N/A GLU 630.A N LYS 626.A O no hydrogen 3.214 N/A ILE 631.A N LEU 627.A O no hydrogen 2.824 N/A ARG 632.A N GLN 628.A O no hydrogen 3.053 N/A SER 633.A N GLN 629.A O no hydrogen 3.149 N/A SER 633.A OG GLN 629.A O no hydrogen 3.014 N/A SER 633.A OG GLU 630.A O no hydrogen 3.196 N/A ARG 634.A N ILE 631.A O no hydrogen 2.493 N/A SER 635.A N GLU 630.A O no hydrogen 3.144 N/A SER 635.A OG GLU 630.A O no hydrogen 2.978 N/A GLN 638.A N GLU 641.A OE2 no hydrogen 2.637 N/A GLN 638.A NE2 PRO 590.A O no hydrogen 2.878 N/A LEU 639.A N TYR 591.A OH no hydrogen 2.652 N/A