Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N GLU 47.A O no hydrogen 3.148 N/A ASN 12.A N ASN 9.A OD1 no hydrogen 2.856 N/A PHE 13.A N ASN 9.A O no hydrogen 3.013 N/A GLU 14.A N VAL 10.A O no hydrogen 3.067 N/A ALA 15.A N ALA 11.A O no hydrogen 2.838 N/A ALA 16.A N ASN 12.A O no hydrogen 3.013 N/A VAL 17.A N PHE 13.A O no hydrogen 3.125 N/A ALA 18.A N GLU 14.A O no hydrogen 3.070 N/A ALA 19.A N ALA 15.A O no hydrogen 2.939 N/A LYS 20.A N VAL 17.A O no hydrogen 3.142 N/A TYR 22.A OH ASP 79.A OD1 no hydrogen 3.372 N/A TYR 22.A OH ASP 79.A OD2 no hydrogen 2.636 N/A LYS 24.A N ASP 21.A OD1 no hydrogen 3.196 N/A ALA 25.A N ASP 21.A O no hydrogen 2.905 N/A CYS 26.A N TYR 22.A O no hydrogen 3.166 N/A CYS 26.A SG TYR 22.A O no hydrogen 3.402 N/A SER 27.A N GLU 23.A O no hydrogen 3.225 N/A SER 27.A OG LYS 24.A O no hydrogen 3.338 N/A GLU 28.A N LYS 24.A O no hydrogen 2.959 N/A LEU 29.A N ALA 25.A O no hydrogen 2.977 N/A LEU 30.A N CYS 26.A O no hydrogen 3.036 N/A LEU 31.A N SER 27.A O no hydrogen 3.005 N/A ILE 32.A N GLU 28.A O no hydrogen 3.480 N/A LEU 33.A N LEU 29.A O no hydrogen 2.896 N/A SER 34.A N LEU 30.A O no hydrogen 2.803 N/A GLN 35.A N LEU 31.A O no hydrogen 3.030 N/A GLN 35.A NE2 ASN 39.A OD1 no hydrogen 3.047 N/A LEU 36.A N ILE 32.A O no hydrogen 3.046 N/A ASP 37.A N LEU 33.A O no hydrogen 3.041 N/A SER 38.A N SER 34.A O no hydrogen 2.989 N/A SER 38.A OG SER 34.A O no hydrogen 3.421 N/A ASN 39.A N GLN 35.A O no hydrogen 2.826 N/A ASN 39.A ND2 GLY 42.A O no hydrogen 2.988 N/A ASN 39.A ND2 GLN 44.A O no hydrogen 2.891 N/A PHE 40.A N ASP 37.A O no hydrogen 3.275 N/A GLY 41.A N LEU 36.A O no hydrogen 2.949 N/A GLY 42.A N ASN 39.A O no hydrogen 3.255 N/A GLN 44.A N GLN 44.A OE1 no hydrogen 2.984 N/A GLU 47.A N PRO 8.A O no hydrogen 3.195 N/A GLN 53.A N GLN 53.A OE1 no hydrogen 2.816 N/A LEU 54.A N PRO 51.A O no hydrogen 2.878 N/A GLN 55.A N ALA 52.A O no hydrogen 3.170 N/A LEU 57.A N LEU 54.A O no hydrogen 3.282 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.844 N/A LYS 61.A N LEU 57.A O no hydrogen 2.844 N/A LYS 61.A NZ GLN 55.A O no hydrogen 3.517 N/A LYS 61.A NZ GLU 58.A OE1 no hydrogen 3.083 N/A ILE 62.A N GLU 58.A O no hydrogen 2.774 N/A VAL 63.A N GLN 59.A O no hydrogen 2.848 N/A TYR 64.A N GLU 60.A O no hydrogen 2.838 N/A PHE 65.A N LYS 61.A O no hydrogen 2.910 N/A CYS 66.A N ILE 62.A O no hydrogen 2.943 N/A CYS 66.A SG ILE 62.A O no hydrogen 3.392 N/A THR 67.A N VAL 63.A O no hydrogen 2.766 N/A ARG 68.A N TYR 64.A O no hydrogen 2.918 N/A ARG 68.A NE GLU 14.A OE2 no hydrogen 2.996 N/A ARG 68.A NH1 TYR 64.A OH no hydrogen 3.185 N/A ARG 68.A NH2 GLU 14.A OE1 no hydrogen 2.997 N/A ARG 68.A NH2 GLU 14.A OE2 no hydrogen 3.541 N/A MET 69.A N PHE 65.A O no hydrogen 3.061 N/A ALA 70.A N CYS 66.A O no hydrogen 2.811 N/A THR 71.A N THR 67.A O no hydrogen 2.909 N/A ALA 72.A N ARG 68.A O no hydrogen 3.100 N/A ILE 73.A N MET 69.A O no hydrogen 2.761 N/A THR 74.A N ALA 70.A O no hydrogen 2.810 N/A THR 74.A OG1 ALA 70.A O no hydrogen 2.520 N/A THR 74.A OG1 HIS 113.A NE2 no hydrogen 3.409 N/A THR 75.A N THR 71.A O no hydrogen 2.944 N/A LEU 76.A N ALA 72.A O no hydrogen 3.070 N/A PHE 77.A N ILE 73.A O no hydrogen 2.833 N/A SER 78.A N THR 74.A O no hydrogen 2.984 N/A SER 78.A OG THR 74.A O no hydrogen 2.977 N/A ASP 79.A N LEU 76.A O no hydrogen 3.374 N/A VAL 81.A N ASP 79.A OD1 no hydrogen 2.939 N/A LEU 82.A N ASP 79.A O no hydrogen 3.339 N/A GLY 88.A N SER 85.A OG no hydrogen 2.513 N/A VAL 89.A N SER 85.A O no hydrogen 3.333 N/A GLN 90.A NE2 SER 169.A OG no hydrogen 3.398 N/A ARG 91.A N LEU 87.A O no hydrogen 3.300 N/A PHE 92.A N GLY 88.A O no hydrogen 2.873 N/A LEU 93.A N VAL 89.A O no hydrogen 2.897 N/A VAL 94.A N GLN 90.A O no hydrogen 2.867 N/A TYR 95.A N ARG 91.A O no hydrogen 3.308 N/A TYR 95.A N PHE 92.A O no hydrogen 3.265 N/A GLN 96.A N LEU 93.A O no hydrogen 3.204 N/A GLN 96.A NE2 CYS 143.A O no hydrogen 3.227 N/A GLN 96.A NE2 ILE 144.A O no hydrogen 3.621 N/A GLN 96.A NE2 TYR 146.A O no hydrogen 2.779 N/A ARG 97.A NH1 SER 176.A O no hydrogen 2.877 N/A ARG 97.A NH2 ASP 37.A OD1 no hydrogen 3.359 N/A TRP 98.A N TYR 95.A O no hydrogen 2.846 N/A TRP 98.A NE1 ASP 37.A OD1 no hydrogen 2.860 N/A ALA 100.A N GLN 96.A O no hydrogen 2.875 N/A LEU 101.A N ARG 97.A O no hydrogen 3.309 N/A ILE 102.A N TRP 98.A O no hydrogen 3.228 N/A PHE 103.A N LEU 99.A O no hydrogen 2.994 N/A ALA 104.A N ALA 100.A O no hydrogen 2.748 N/A SER 105.A N LEU 101.A O no hydrogen 3.000 N/A SER 105.A OG LEU 101.A O no hydrogen 3.323 N/A SER 105.A OG ILE 474.A O no hydrogen 2.728 N/A SER 106.A N PHE 103.A O no hydrogen 3.182 N/A SER 106.A OG ILE 102.A O no hydrogen 3.544 N/A SER 106.A OG PHE 103.A O no hydrogen 2.536 N/A PHE 108.A N SER 106.A OG no hydrogen 3.122 N/A ASN 110.A N PHE 108.A O no hydrogen 2.734 N/A ASN 110.A ND2 GLU 149.A O no hydrogen 2.585 N/A ASP 112.A N ASN 110.A OD1 no hydrogen 3.112 N/A ILE 114.A N ALA 111.A O no hydrogen 2.723 N/A LEU 115.A N ALA 111.A O no hydrogen 3.013 N/A GLN 116.A N ASP 112.A O no hydrogen 2.714 N/A GLN 116.A NE2 SER 127.A O no hydrogen 3.196 N/A THR 117.A N ILE 114.A O no hydrogen 2.800 N/A THR 117.A OG1 ILE 114.A O no hydrogen 2.853 N/A TYR 118.A N LEU 115.A O no hydrogen 3.102 N/A TYR 118.A OH PHE 77.A O no hydrogen 2.218 N/A ASN 119.A N GLN 116.A O no hydrogen 3.419 N/A ASN 119.A ND2 GLU 121.A O no hydrogen 3.217 N/A ARG 120.A N HIS 131.A O no hydrogen 2.949 N/A ARG 124.A NE ASN 126.A O no hydrogen 3.331 N/A ARG 124.A NE GLU 129.A O no hydrogen 3.015 N/A ARG 124.A NH1 GLN 116.A OE1 no hydrogen 3.569 N/A ARG 124.A NH2 GLN 116.A OE1 no hydrogen 2.904 N/A ARG 124.A NH2 GLU 129.A O no hydrogen 2.955 N/A GLU 129.A N ASN 126.A O no hydrogen 3.188 N/A HIS 131.A N ASN 119.A OD1 no hydrogen 2.900 N/A SER 138.A N SER 135.A O no hydrogen 3.337 N/A SER 138.A OG ASP 133.A OD1 no hydrogen 3.260 N/A LEU 139.A N LYS 136.A O no hydrogen 2.920 N/A ILE 140.A N LYS 136.A O no hydrogen 2.976 N/A LYS 141.A N SER 137.A O no hydrogen 3.353 N/A LYS 141.A NZ LEU 82.A O no hydrogen 3.034 N/A PHE 142.A N SER 138.A O no hydrogen 3.187 N/A CYS 143.A N LEU 139.A O no hydrogen 3.019 N/A CYS 143.A SG LEU 139.A O no hydrogen 3.357 N/A ILE 144.A N ILE 140.A O no hydrogen 2.918 N/A LEU 145.A N LYS 141.A O no hydrogen 3.350 N/A TYR 146.A N CYS 143.A O no hydrogen 3.209 N/A TYR 146.A OH VAL 152.A O no hydrogen 3.314 N/A SER 150.A N LEU 147.A O no hydrogen 2.830 N/A SER 150.A OG ASP 112.A OD1 no hydrogen 2.756 N/A ASN 151.A N ASP 112.A OD2 no hydrogen 2.634 N/A ASN 153.A N LEU 128.A O no hydrogen 2.715 N/A ASN 153.A ND2 ASN 126.A OD1 no hydrogen 3.231 N/A VAL 158.A N ASN 155.A OD1 no hydrogen 2.651 N/A MET 159.A N ASN 155.A O no hydrogen 3.151 N/A TRP 160.A N LEU 156.A O no hydrogen 2.681 N/A ASN 161.A N ASP 157.A O no hydrogen 3.241 N/A ASN 161.A ND2 ASP 157.A O no hydrogen 3.481 N/A ILE 162.A N VAL 158.A O no hydrogen 3.141 N/A SER 163.A N MET 159.A O no hydrogen 2.926 N/A LEU 166.A N SER 163.A OG no hydrogen 3.404 N/A CYS 167.A N SER 163.A O no hydrogen 3.236 N/A CYS 167.A SG LEU 156.A O no hydrogen 3.964 N/A ALA 168.A N PRO 164.A O no hydrogen 2.816 N/A SER 169.A N GLU 165.A O no hydrogen 2.861 N/A SER 169.A OG GLN 90.A OE1 no hydrogen 3.363 N/A SER 169.A OG GLU 165.A O no hydrogen 2.886 N/A LEU 170.A N LEU 166.A O no hydrogen 3.001 N/A CYS 171.A N CYS 167.A O no hydrogen 3.060 N/A CYS 171.A SG CYS 167.A O no hydrogen 3.426 N/A PHE 172.A N ALA 168.A O no hydrogen 2.829 N/A ALA 173.A N SER 169.A O no hydrogen 2.997 N/A ALA 173.A N LEU 170.A O no hydrogen 2.735 N/A LEU 174.A N LEU 170.A O no hydrogen 2.832 N/A GLN 175.A N PHE 172.A O no hydrogen 3.270 N/A GLN 175.A NE2 CYS 171.A O no hydrogen 2.701 N/A SER 176.A N ALA 173.A O no hydrogen 2.983 N/A SER 176.A OG ALA 173.A O no hydrogen 2.655 N/A THR 182.A OG1 GLU 149.A OE1 no hydrogen 2.331 N/A PHE 186.A N THR 182.A O no hydrogen 2.761 N/A ASN 187.A N SER 183.A O no hydrogen 2.888 N/A LYS 188.A N THR 184.A O no hydrogen 3.148 N/A LYS 188.A NZ PRO 148.A O no hydrogen 2.720 N/A LYS 188.A NZ SER 150.A O no hydrogen 2.676 N/A ARG 189.A N ALA 185.A O no hydrogen 3.063 N/A ALA 190.A N PHE 186.A O no hydrogen 2.920 N/A THR 191.A N ASN 187.A O no hydrogen 3.003 N/A ILE 192.A N LYS 188.A O no hydrogen 3.034 N/A LEU 193.A N ARG 189.A O no hydrogen 2.865 N/A GLN 194.A N ALA 190.A O no hydrogen 3.320 N/A GLN 194.A N THR 191.A O no hydrogen 2.961 N/A GLN 194.A NE2 ASN 228.A OD1 no hydrogen 2.905 N/A TRP 195.A N THR 191.A O no hydrogen 2.970 N/A TRP 195.A N ILE 192.A O no hydrogen 3.231 N/A TRP 195.A NE1 ASP 157.A OD1 no hydrogen 2.840 N/A PHE 196.A N ILE 192.A O no hydrogen 2.853 N/A HIS 199.A N PHE 196.A O no hydrogen 3.135 N/A HIS 199.A ND1 TRP 195.A O no hydrogen 3.068 N/A LEU 200.A N PHE 196.A O no hydrogen 2.929 N/A ASP 201.A N PRO 197.A O no hydrogen 2.930 N/A GLN 202.A N HIS 199.A O no hydrogen 2.969 N/A GLN 202.A NE2 ARG 198.A O no hydrogen 3.539 N/A LEU 203.A N LEU 200.A O no hydrogen 3.242 N/A ASN 207.A N ASN 205.A OD1 no hydrogen 2.985 N/A ASN 207.A ND2 GLU 247.A OE2 no hydrogen 3.346 N/A ASN 208.A ND2 GLU 165.A OE1 no hydrogen 3.339 N/A SER 211.A OG LEU 206.A O no hydrogen 3.530 N/A ILE 213.A N PRO 210.A O no hydrogen 3.459 N/A SER 214.A N SER 211.A O no hydrogen 2.974 N/A SER 214.A OG SER 211.A O no hydrogen 2.484 N/A HIS 215.A ND1 MET 350.A O no hydrogen 3.286 N/A ASP 216.A N ILE 213.A O no hydrogen 3.126 N/A VAL 217.A N ILE 213.A O no hydrogen 3.132 N/A TYR 218.A N SER 214.A O no hydrogen 2.954 N/A MET 219.A N HIS 215.A O no hydrogen 2.822 N/A HIS 220.A N ASP 216.A O no hydrogen 2.811 N/A HIS 220.A ND1 GLN 175.A O no hydrogen 3.187 N/A CYS 221.A SG VAL 217.A O no hydrogen 3.690 N/A CYS 221.A SG TYR 218.A O no hydrogen 3.089 N/A SER 222.A N MET 219.A O no hydrogen 3.200 N/A SER 222.A OG MET 219.A O no hydrogen 3.411 N/A SER 222.A OG HIS 230.A NE2 no hydrogen 3.094 N/A SER 222.A OG HIS 372.A NE2 no hydrogen 3.418 N/A TYR 223.A N HIS 220.A O no hydrogen 3.231 N/A ASP 224.A N CYS 221.A O no hydrogen 3.502 N/A SER 226.A N ASP 224.A OD2 no hydrogen 3.208 N/A SER 226.A OG ASP 224.A OD2 no hydrogen 2.417 N/A ASN 228.A ND2 GLN 194.A OE1 no hydrogen 2.949 N/A LYS 229.A NZ SER 222.A O no hydrogen 2.839 N/A LYS 229.A NZ ASP 224.A O no hydrogen 2.994 N/A LYS 229.A NZ HIS 543.A NE2 no hydrogen 3.008 N/A HIS 230.A NE2 SER 222.A OG no hydrogen 3.094 N/A ASP 231.A N ASN 228.A O no hydrogen 2.773 N/A LYS 233.A N HIS 230.A O no hydrogen 2.821 N/A LYS 233.A NZ THR 375.A O no hydrogen 2.874 N/A ALA 235.A N ASP 231.A O no hydrogen 3.225 N/A LEU 236.A N VAL 232.A O no hydrogen 2.934 N/A ASN 237.A N LYS 233.A O no hydrogen 2.832 N/A ASN 237.A N ARG 234.A O no hydrogen 3.183 N/A ASN 237.A ND2 THR 376.A O no hydrogen 2.808 N/A ASN 237.A ND2 HIS 377.A O no hydrogen 3.201 N/A HIS 238.A N ARG 234.A O no hydrogen 3.303 N/A HIS 238.A ND1 ASP 201.A OD1 no hydrogen 3.015 N/A VAL 239.A N ALA 235.A O no hydrogen 3.349 N/A ILE 240.A N LEU 236.A O no hydrogen 2.956 N/A ARG 241.A N ASN 237.A O no hydrogen 2.683 N/A ARG 241.A NH1 ASP 252.A OD1 no hydrogen 2.996 N/A ARG 241.A NH1 ASN 359.A O no hydrogen 3.290 N/A ARG 241.A NH2 ASP 252.A OD2 no hydrogen 3.145 N/A ARG 242.A N HIS 238.A O no hydrogen 2.938 N/A ARG 242.A NE LEU 203.A O no hydrogen 2.833 N/A ARG 242.A NH1 LEU 203.A O no hydrogen 3.079 N/A HIS 243.A N VAL 239.A O no hydrogen 2.793 N/A ILE 244.A N ILE 240.A O no hydrogen 2.830 N/A GLU 245.A N ARG 241.A O no hydrogen 3.021 N/A GLU 245.A N ARG 242.A O no hydrogen 3.211 N/A SER 246.A N ARG 242.A O no hydrogen 3.213 N/A SER 246.A OG ARG 242.A O no hydrogen 2.737 N/A SER 246.A OG HIS 243.A O no hydrogen 3.415 N/A GLU 247.A N HIS 243.A O no hydrogen 3.132 N/A TYR 248.A N ILE 244.A O no hydrogen 3.246 N/A TRP 250.A N ILE 244.A O no hydrogen 3.206 N/A TRP 250.A NE1 ASP 252.A OD1 no hydrogen 2.387 N/A ARG 253.A N ARG 361.A O no hydrogen 3.003 N/A ARG 253.A NE LEU 362.A O no hydrogen 3.054 N/A ARG 253.A NH1 GLU 336.A OE1 no hydrogen 3.298 N/A ARG 253.A NH2 LEU 362.A O no hydrogen 3.273 N/A ALA 256.A N ASP 254.A OD2 no hydrogen 3.276 N/A GLY 259.A N GLY 339.A O no hydrogen 2.909 N/A ARG 261.A N LYS 264.A O no hydrogen 2.826 N/A ARG 261.A NH1 GLU 315.A OE1 no hydrogen 2.596 N/A ARG 261.A NH2 ASN 338.A OD1 no hydrogen 2.651 N/A LYS 264.A N ARG 261.A O no hydrogen 3.347 N/A LYS 264.A NZ ARG 292.A O no hydrogen 2.956 N/A LYS 264.A NZ GLU 293.A O no hydrogen 3.284 N/A MET 267.A N TYR 296.A O no hydrogen 2.953 N/A VAL 268.A N ILE 342.A O no hydrogen 2.919 N/A VAL 269.A N ILE 298.A O no hydrogen 3.057 N/A LEU 270.A N TYR 344.A O no hydrogen 2.948 N/A LEU 271.A N LEU 300.A O no hydrogen 3.037 N/A HIS 275.A ND1 SER 304.A O no hydrogen 3.213 N/A SER 276.A N ASP 306.A OD1 no hydrogen 3.034 N/A SER 276.A N ASP 306.A OD2 no hydrogen 3.379 N/A SER 276.A OG ASP 306.A OD2 no hydrogen 2.817 N/A HIS 278.A N HIS 275.A O no hydrogen 2.904 N/A ARG 282.A N HIS 278.A O no hydrogen 3.237 N/A THR 283.A N SER 279.A O no hydrogen 2.886 N/A THR 283.A OG1 SER 279.A O no hydrogen 2.681 N/A THR 283.A OG1 ILE 280.A O no hydrogen 3.504 N/A THR 283.A OG1 HIS 284.A ND1 no hydrogen 3.190 N/A HIS 284.A N ILE 280.A O no hydrogen 2.974 N/A HIS 284.A ND1 THR 283.A OG1 no hydrogen 3.190 N/A SER 285.A N TYR 281.A O no hydrogen 3.102 N/A SER 285.A OG TYR 281.A O no hydrogen 2.615 N/A SER 287.A OG HIS 284.A O no hydrogen 3.137 N/A MET 288.A N HIS 284.A O no hydrogen 3.125 N/A ILE 289.A N SER 285.A O no hydrogen 2.786 N/A ALA 290.A N THR 286.A O no hydrogen 3.081 N/A ALA 291.A N SER 287.A O no hydrogen 3.188 N/A ARG 292.A N ILE 289.A O no hydrogen 2.773 N/A ARG 292.A NE ASP 314.A OD1 no hydrogen 2.919 N/A ARG 292.A NH1 VAL 312.A O no hydrogen 3.342 N/A ARG 292.A NH2 ASP 314.A OD1 no hydrogen 3.139 N/A GLU 293.A N ALA 290.A O no hydrogen 3.179 N/A HIS 294.A N ALA 291.A O no hydrogen 2.997 N/A PHE 295.A N ALA 291.A O no hydrogen 2.974 N/A TYR 296.A N PRO 265.A O no hydrogen 3.052 N/A TYR 296.A OH GLU 315.A OE1 no hydrogen 2.859 N/A LEU 297.A N ASP 314.A OD2 no hydrogen 2.771 N/A ILE 298.A N MET 267.A O no hydrogen 3.016 N/A GLY 299.A N GLU 315.A O no hydrogen 2.761 N/A LEU 300.A N VAL 269.A O no hydrogen 2.916 N/A GLY 301.A N HIS 317.A O no hydrogen 2.940 N/A SER 302.A OG SER 304.A OG no hydrogen 2.734 N/A SER 304.A N SER 302.A OG no hydrogen 2.706 N/A SER 304.A OG SER 302.A OG no hydrogen 2.734 N/A VAL 305.A N SER 302.A O no hydrogen 3.325 N/A GLY 309.A N ASP 306.A OD1 no hydrogen 3.421 N/A GLN 310.A N ASP 306.A O no hydrogen 3.042 N/A GLN 310.A NE2 VAL 305.A O no hydrogen 2.857 N/A GLU 311.A N GLN 307.A O no hydrogen 2.962 N/A VAL 312.A N GLY 309.A O no hydrogen 3.233 N/A PHE 313.A N GLN 310.A O no hydrogen 3.293 N/A ASP 314.A N LEU 297.A O no hydrogen 2.693 N/A GLU 315.A N LEU 297.A O no hydrogen 3.253 N/A HIS 317.A N GLY 299.A O no hydrogen 2.957 N/A HIS 317.A NE2 GLU 315.A OE2 no hydrogen 2.835 N/A VAL 319.A N GLY 301.A O no hydrogen 2.827 N/A ASP 322.A N GLN 326.A OE1 no hydrogen 2.807 N/A LYS 325.A N ASN 323.A OD1 no hydrogen 3.239 N/A LYS 325.A NZ GLU 329.A OE2 no hydrogen 2.779 N/A GLN 326.A N ASN 323.A O no hydrogen 3.067 N/A LYS 327.A N ASN 323.A O no hydrogen 3.184 N/A LEU 328.A N MET 324.A O no hydrogen 2.880 N/A GLU 329.A N LYS 325.A O no hydrogen 3.215 N/A PHE 330.A N GLN 326.A O no hydrogen 2.758 N/A ILE 331.A N LYS 327.A O no hydrogen 3.014 N/A ARG 332.A N LEU 328.A O no hydrogen 2.646 N/A ARG 332.A NE LYS 251.A O no hydrogen 2.750 N/A ARG 332.A NH2 LYS 251.A O no hydrogen 2.997 N/A ARG 332.A NH2 ASP 252.A O no hydrogen 2.802 N/A SER 333.A N GLU 329.A O no hydrogen 2.733 N/A SER 333.A OG PHE 330.A O no hydrogen 2.880 N/A VAL 334.A N PHE 330.A O no hydrogen 3.076 N/A VAL 334.A N ILE 331.A O no hydrogen 3.273 N/A CYS 335.A N ILE 331.A O no hydrogen 3.300 N/A CYS 335.A SG ILE 331.A O no hydrogen 3.508 N/A GLU 336.A N ARG 332.A O no hydrogen 2.765 N/A SER 337.A N SER 333.A O no hydrogen 3.056 N/A SER 337.A OG SER 333.A O no hydrogen 3.511 N/A ASN 338.A N VAL 334.A O no hydrogen 3.095 N/A ASN 338.A ND2 VAL 334.A O no hydrogen 2.664 N/A GLY 339.A N GLU 336.A O no hydrogen 2.984 N/A ALA 340.A N CYS 335.A O no hydrogen 2.865 N/A ALA 341.A N VAL 266.A O no hydrogen 2.792 N/A ILE 342.A N VAL 266.A O no hydrogen 3.064 N/A PHE 343.A N ILE 365.A O no hydrogen 2.821 N/A TYR 344.A N VAL 268.A O no hydrogen 2.989 N/A MET 345.A N ALA 367.A O no hydrogen 2.959 N/A SER 347.A OG GLU 272.A OE1 no hydrogen 2.957 N/A MET 350.A N GLU 272.A OE1 no hydrogen 2.922 N/A MET 352.A N ASP 351.A OD1 no hydrogen 2.970 N/A THR 354.A OG1 SER 347.A O no hydrogen 3.492 N/A ILE 355.A N MET 352.A O no hydrogen 3.027 N/A PHE 356.A N MET 352.A O no hydrogen 2.993 N/A ALA 357.A N THR 353.A O no hydrogen 3.152 N/A SER 358.A N THR 354.A O no hydrogen 3.276 N/A SER 358.A OG ILE 355.A O no hydrogen 3.203 N/A ASN 359.A N PHE 356.A O no hydrogen 3.030 N/A ASN 359.A ND2 ASN 237.A OD1 no hydrogen 2.720 N/A ASN 359.A ND2 ILE 355.A O no hydrogen 3.094 N/A THR 360.A OG1 ASN 359.A O no hydrogen 3.169 N/A ARG 361.A N ASP 252.A OD1 no hydrogen 3.094 N/A ARG 361.A NH1 GLU 382.A OE2 no hydrogen 2.461 N/A ARG 361.A NH2 ALA 363.A O no hydrogen 2.959 N/A ARG 361.A NH2 GLU 382.A OE1 no hydrogen 3.291 N/A ARG 361.A NH2 GLU 382.A OE2 no hydrogen 2.933 N/A LEU 362.A N GLN 366.A OE1 no hydrogen 2.563 N/A ALA 363.A N GLN 366.A OE1 no hydrogen 3.022 N/A ILE 365.A N ALA 341.A O no hydrogen 3.384 N/A GLN 366.A N GLU 382.A OE1 no hydrogen 2.839 N/A GLN 366.A NE2 THR 360.A O no hydrogen 2.953 N/A GLN 366.A NE2 PHE 380.A O no hydrogen 2.814 N/A ALA 367.A N PHE 343.A O no hydrogen 2.809 N/A ILE 368.A N TYR 383.A O no hydrogen 3.009 N/A ALA 369.A N MET 345.A O no hydrogen 2.916 N/A GLY 371.A N PRO 346.A O no hydrogen 2.954 N/A ALA 374.A N HIS 372.A O no hydrogen 2.976 N/A THR 375.A OG1 GLU 399.A OE1 no hydrogen 2.397 N/A THR 375.A OG1 GLU 399.A OE2 no hydrogen 3.259 N/A THR 376.A N GLU 399.A OE2 no hydrogen 2.452 N/A THR 376.A OG1 GLU 399.A OE2 no hydrogen 2.279 N/A SER 378.A N THR 376.A OG1 no hydrogen 2.976 N/A SER 378.A OG SER 358.A O no hydrogen 2.591 N/A PHE 380.A N SER 378.A OG no hydrogen 3.205 N/A ILE 381.A N SER 378.A O no hydrogen 3.267 N/A TYR 383.A N GLN 366.A O no hydrogen 3.222 N/A VAL 384.A N THR 400.A O no hydrogen 3.100 N/A ILE 385.A N ILE 368.A O no hydrogen 2.966 N/A VAL 386.A N LEU 402.A O no hydrogen 3.476 N/A ASP 388.A N LEU 404.A O no hydrogen 2.642 N/A TYR 390.A N GLU 387.A O no hydrogen 2.689 N/A TYR 390.A OH TYR 411.A OH no hydrogen 3.284 N/A VAL 391.A N ASP 388.A O no hydrogen 3.359 N/A SER 393.A N ALA 540.A O no hydrogen 2.933 N/A PHE 397.A N GLU 394.A O no hydrogen 3.267 N/A SER 398.A N THR 375.A OG1 no hydrogen 3.112 N/A GLU 399.A N GLU 399.A OE1 no hydrogen 2.838 N/A THR 400.A N GLU 382.A O no hydrogen 2.948 N/A LEU 402.A N VAL 384.A O no hydrogen 2.650 N/A ARG 403.A NE ASP 388.A OD1 no hydrogen 2.987 N/A ARG 403.A NH1 ASP 388.A OD1 no hydrogen 3.030 N/A ARG 403.A NH2 GLU 394.A OE2 no hydrogen 2.864 N/A LEU 404.A N VAL 386.A O no hydrogen 2.734 N/A ALA 408.A N PRO 405.A O no hydrogen 2.999 N/A TYR 411.A N LEU 598.A O no hydrogen 2.997 N/A TYR 411.A OH GLU 387.A OE2 no hydrogen 3.202 N/A TYR 411.A OH TYR 390.A OH no hydrogen 3.284 N/A VAL 412.A N ARG 282.A O no hydrogen 2.807 N/A LEU 416.A N SER 414.A OG no hydrogen 2.972 N/A GLU 419.A N GLU 419.A OE2 no hydrogen 2.725 N/A LYS 420.A NZ GLU 419.A OE1 no hydrogen 2.910 N/A ARG 426.A NH2 ASN 508.A O no hydrogen 2.932 N/A VAL 432.A N LYS 461.A O no hydrogen 2.851 N/A ASN 433.A N ASP 510.A OD2 no hydrogen 3.132 N/A ASN 433.A ND2 ASN 508.A O no hydrogen 2.792 N/A ILE 434.A N HIS 463.A O no hydrogen 2.808 N/A GLY 435.A N MET 511.A O no hydrogen 2.857 N/A ILE 436.A N HIS 465.A O no hydrogen 2.884 N/A SER 438.A N ALA 467.A O no hydrogen 3.243 N/A SER 438.A OG THR 439.A O no hydrogen 2.793 N/A THR 440.A OG1 ARG 178.A O no hydrogen 3.149 N/A LYS 442.A N THR 439.A O no hydrogen 3.327 N/A LYS 442.A NZ GLY 519.A O no hydrogen 2.966 N/A LYS 442.A NZ ASN 520.A OD1 no hydrogen 2.619 N/A LEU 443.A N THR 440.A O no hydrogen 3.261 N/A ASN 444.A ND2 LYS 442.A O no hydrogen 3.414 N/A ASN 444.A ND2 PHE 516.A O no hydrogen 2.700 N/A PHE 447.A N ASN 444.A OD1 no hydrogen 2.634 N/A LEU 448.A N ASN 444.A O no hydrogen 3.171 N/A GLU 449.A N PRO 445.A O no hydrogen 3.014 N/A ALA 450.A N TYR 446.A O no hydrogen 3.281 N/A LEU 451.A N PHE 447.A O no hydrogen 3.207 N/A LYS 452.A N LEU 448.A O no hydrogen 2.994 N/A LYS 452.A NZ ASP 456.A OD2 no hydrogen 2.805 N/A ALA 453.A N GLU 449.A O no hydrogen 3.005 N/A ILE 454.A N ALA 450.A O no hydrogen 3.162 N/A ARG 455.A N LEU 451.A O no hydrogen 2.888 N/A ARG 455.A NE SER 490.A OG no hydrogen 3.276 N/A ARG 455.A NH1 ASP 456.A OD1 no hydrogen 2.646 N/A ASP 456.A N LYS 452.A O no hydrogen 2.940 N/A ASP 456.A N ALA 453.A O no hydrogen 3.017 N/A ARG 457.A N ALA 453.A O no hydrogen 2.769 N/A LYS 459.A N GLU 577.A OE2 no hydrogen 2.439 N/A HIS 463.A N VAL 432.A O no hydrogen 3.187 N/A HIS 463.A NE2 THR 492.A OG1 no hydrogen 2.596 N/A PHE 464.A N SER 490.A O no hydrogen 2.827 N/A HIS 465.A N ILE 434.A O no hydrogen 2.729 N/A PHE 466.A N THR 492.A O no hydrogen 2.805 N/A ALA 467.A N ILE 436.A O no hydrogen 2.948 N/A LEU 468.A N HIS 494.A O no hydrogen 3.471 N/A GLY 469.A N SER 438.A O no hydrogen 3.047 N/A SER 471.A OG HIS 476.A ND1 no hydrogen 3.264 N/A ILE 474.A N GLY 41.A O no hydrogen 3.125 N/A THR 475.A N ASN 472.A O no hydrogen 2.915 N/A HIS 476.A N GLY 473.A O no hydrogen 3.065 N/A HIS 476.A NE2 GLU 480.A OE2 no hydrogen 3.030 N/A TYR 478.A OH GLU 149.A OE1 no hydrogen 2.260 N/A VAL 479.A N THR 475.A O no hydrogen 3.185 N/A GLU 480.A N HIS 476.A O no hydrogen 2.726 N/A ARG 481.A N PRO 477.A O no hydrogen 2.738 N/A ARG 481.A NH1 ALA 104.A O no hydrogen 3.305 N/A ARG 481.A NH1 SER 106.A O no hydrogen 3.124 N/A ARG 481.A NH2 ALA 104.A O no hydrogen 2.765 N/A PHE 482.A N TYR 478.A O no hydrogen 2.855 N/A ILE 483.A N VAL 479.A O no hydrogen 3.072 N/A LYS 484.A N GLU 480.A O no hydrogen 2.906 N/A LYS 484.A NZ GLY 488.A O no hydrogen 3.188 N/A LYS 484.A NZ ALA 491.A O no hydrogen 3.060 N/A SER 485.A N ARG 481.A O no hydrogen 3.069 N/A SER 485.A N PHE 482.A O no hydrogen 3.015 N/A SER 485.A OG PHE 482.A O no hydrogen 2.766 N/A TYR 486.A N ILE 483.A O no hydrogen 3.266 N/A LEU 487.A N ILE 483.A O no hydrogen 3.122 N/A GLY 488.A N LYS 484.A O no hydrogen 2.721 N/A SER 490.A N LEU 487.A O no hydrogen 2.789 N/A THR 492.A N PHE 464.A O no hydrogen 2.949 N/A THR 492.A OG1 HIS 463.A NE2 no hydrogen 2.596 N/A HIS 494.A N PHE 466.A O no hydrogen 3.043 N/A HIS 494.A ND1 PHE 466.A O no hydrogen 3.072 N/A HIS 496.A N SER 471.A O no hydrogen 3.460 N/A TYR 499.A OH ASP 526.A OD1 no hydrogen 2.842 N/A TYR 502.A N PRO 498.A O no hydrogen 3.048 N/A TYR 502.A OH ASP 526.A OD2 no hydrogen 2.384 N/A LEU 503.A N TYR 499.A O no hydrogen 2.751 N/A ARG 504.A N HIS 500.A O no hydrogen 2.950 N/A ILE 505.A N GLN 501.A O no hydrogen 3.198 N/A LEU 506.A N TYR 502.A O no hydrogen 3.219 N/A HIS 507.A N LEU 503.A O no hydrogen 2.831 N/A HIS 507.A NE2 ASP 422.A O no hydrogen 2.917 N/A ASN 508.A N ILE 505.A O no hydrogen 3.266 N/A ASN 508.A ND2 ARG 504.A O no hydrogen 3.167 N/A CYS 509.A N LEU 506.A O no hydrogen 2.830 N/A CYS 509.A SG ILE 505.A O no hydrogen 3.437 N/A ASP 510.A N ASN 433.A O no hydrogen 2.929 N/A MET 512.A N VAL 533.A O no hydrogen 2.919 N/A VAL 513.A N GLY 435.A O no hydrogen 3.189 N/A ASN 514.A N VAL 535.A O no hydrogen 2.791 N/A ASN 514.A ND2 ASP 547.A OD1 no hydrogen 2.894 N/A GLY 519.A N HIS 543.A O no hydrogen 2.723 N/A ASN 520.A ND2 ALA 437.A O no hydrogen 2.829 N/A ILE 525.A N THR 521.A O no hydrogen 3.428 N/A ASP 526.A N ASN 522.A O no hydrogen 2.944 N/A MET 527.A N GLY 523.A O no hydrogen 2.779 N/A VAL 528.A N ILE 524.A O no hydrogen 3.002 N/A THR 529.A N ILE 525.A O no hydrogen 2.947 N/A THR 529.A OG1 ILE 525.A O no hydrogen 2.517 N/A LEU 530.A N ASP 526.A O no hydrogen 3.003 N/A GLY 531.A N VAL 528.A O no hydrogen 2.771 N/A LEU 532.A N MET 527.A O no hydrogen 2.970 N/A VAL 535.A N MET 512.A O no hydrogen 3.164 N/A CYS 536.A N LEU 560.A O no hydrogen 3.309 N/A LYS 537.A NZ THR 538.A O no hydrogen 2.676 N/A THR 538.A N ALA 562.A O no hydrogen 2.871 N/A THR 538.A OG1 GLU 548.A OE1 no hydrogen 3.099 N/A GLU 541.A N GLU 544.A OE1 no hydrogen 3.299 N/A HIS 543.A ND1 PRO 373.A O no hydrogen 2.875 N/A GLU 544.A N GLU 541.A O no hydrogen 2.869 N/A HIS 545.A N GLU 541.A O no hydrogen 2.853 N/A ILE 546.A N VAL 542.A O no hydrogen 2.766 N/A GLU 548.A N HIS 545.A O no hydrogen 2.995 N/A GLY 549.A N HIS 545.A O no hydrogen 3.190 N/A LEU 550.A N ILE 546.A O no hydrogen 2.842 N/A PHE 551.A N ASP 547.A O no hydrogen 2.903 N/A LYS 552.A N GLU 548.A O no hydrogen 3.010 N/A ARG 553.A N GLY 549.A O no hydrogen 3.029 N/A ARG 553.A NE ASP 389.A OD2 no hydrogen 2.505 N/A ARG 553.A NH2 ASP 389.A OD2 no hydrogen 3.361 N/A LEU 554.A N LEU 550.A O no hydrogen 2.790 N/A GLY 555.A N LYS 552.A O no hydrogen 3.170 N/A LEU 556.A N PHE 551.A O no hydrogen 2.967 N/A LEU 560.A N PRO 557.A O no hydrogen 3.086 N/A ILE 561.A N GLU 558.A O no hydrogen 3.189 N/A ALA 562.A N CYS 536.A O no hydrogen 2.983 N/A ASN 563.A N GLU 567.A OE1 no hydrogen 3.139 N/A GLU 567.A N THR 564.A OG1 no hydrogen 3.237 N/A TYR 568.A N THR 564.A O no hydrogen 3.019 N/A TYR 568.A OH ASN 514.A O no hydrogen 2.828 N/A VAL 569.A N VAL 565.A O no hydrogen 3.016 N/A GLU 570.A N ASP 566.A O no hydrogen 3.212 N/A ARG 571.A N GLU 567.A O no hydrogen 2.653 N/A ARG 571.A NE GLU 570.A OE2 no hydrogen 3.363 N/A ARG 571.A NH2 TRP 559.A O no hydrogen 3.233 N/A ALA 572.A N TYR 568.A O no hydrogen 3.074 N/A VAL 573.A N VAL 569.A O no hydrogen 3.034 N/A ARG 574.A N GLU 570.A O no hydrogen 2.803 N/A ARG 574.A NH2 GLU 581.A OE1 no hydrogen 3.186 N/A LEU 575.A N ARG 571.A O no hydrogen 3.019 N/A ALA 576.A N ALA 572.A O no hydrogen 3.048 N/A ALA 576.A N VAL 573.A O no hydrogen 3.262 N/A GLU 577.A N VAL 573.A O no hydrogen 2.801 N/A ASN 578.A N ARG 574.A O no hydrogen 2.685 N/A ASN 578.A ND2 GLU 581.A OE1 no hydrogen 3.197 N/A GLN 580.A NE2 GLN 580.A O no hydrogen 3.325 N/A ARG 582.A N ASN 578.A O no hydrogen 2.991 N/A ARG 582.A NH1 LEU 575.A O no hydrogen 2.620 N/A ARG 582.A NH1 ALA 576.A O no hydrogen 3.159 N/A ARG 582.A NH2 HIS 579.A ND1 no hydrogen 3.156 N/A LEU 583.A N HIS 579.A O no hydrogen 3.003 N/A GLU 584.A N GLN 580.A O no hydrogen 3.066 N/A LEU 585.A N GLU 581.A O no hydrogen 2.929 N/A ARG 586.A N ARG 582.A O no hydrogen 2.786 N/A ARG 586.A NE GLY 531.A O no hydrogen 2.653 N/A ARG 586.A NH1 LEU 424.A O no hydrogen 2.753 N/A ARG 586.A NH2 LEU 530.A O no hydrogen 3.434 N/A ARG 586.A NH2 GLY 531.A O no hydrogen 3.375 N/A ARG 587.A N LEU 583.A O no hydrogen 2.787 N/A TYR 588.A N GLU 584.A O no hydrogen 2.790 N/A TYR 588.A N LEU 585.A O no hydrogen 3.064 N/A TYR 588.A OH GLY 555.A O no hydrogen 3.266 N/A ILE 589.A N LEU 585.A O no hydrogen 3.077 N/A ILE 590.A N ARG 586.A O no hydrogen 2.862 N/A GLU 591.A N TYR 588.A O no hydrogen 3.293 N/A ASN 592.A N TYR 588.A O no hydrogen 2.778 N/A ASN 592.A ND2 TYR 588.A O no hydrogen 3.378 N/A ASN 593.A ND2 ILE 589.A O no hydrogen 2.983 N/A THR 597.A N GLY 594.A O no hydrogen 2.793 N/A THR 597.A OG1 GLY 594.A O no hydrogen 2.591 N/A LEU 598.A N LEU 595.A O no hydrogen 3.132 N/A PHE 599.A N ASN 596.A O no hydrogen 3.272 N/A ARG 604.A N ASP 602.A OD1 no hydrogen 3.163 N/A ARG 604.A NE ASP 602.A OD1 no hydrogen 2.716 N/A ARG 604.A NE ASP 602.A OD2 no hydrogen 3.361 N/A ARG 604.A NH2 ASP 602.A OD2 no hydrogen 2.637 N/A GLN 608.A N ARG 604.A O no hydrogen 3.223 N/A VAL 609.A N PRO 605.A O no hydrogen 2.755 N/A PHE 610.A N MET 606.A O no hydrogen 3.082 N/A LEU 611.A N GLY 607.A O no hydrogen 3.005 N/A GLU 612.A N GLN 608.A O no hydrogen 2.885 N/A LYS 613.A N VAL 609.A O no hydrogen 3.168 N/A LEU 614.A N PHE 610.A O no hydrogen 2.827 N/A ASN 615.A N LEU 611.A O no hydrogen 2.757 N/A ALA 616.A N GLU 612.A O no hydrogen 3.013 N/A PHE 617.A N LYS 613.A O no hydrogen 3.122 N/A PHE 617.A N LEU 614.A O no hydrogen 2.789 N/A LEU 618.A N LEU 614.A O no hydrogen 2.799 N/A GLU 620.A N PHE 617.A O no hydrogen 3.096 N/A