Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0l_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 60.A OE2 no hydrogen 3.394 N/A LYS 3.A N GLU 60.A OE2 no hydrogen 2.881 N/A TYR 4.A N GLU 60.A OE1 no hydrogen 3.338 N/A TYR 4.A OH GLU 281.A OE1 no hydrogen 3.043 N/A TYR 4.A OH GLU 281.A OE2 no hydrogen 3.167 N/A GLU 17.A N GLY 14.A O no hydrogen 3.032 N/A LEU 18.A N LYS 15.A O no hydrogen 3.213 N/A TYR 21.A N LEU 18.A O no hydrogen 3.223 N/A TYR 21.A OH SER 31.A O no hydrogen 2.385 N/A LEU 25.A N GLU 22.A O no hydrogen 3.185 N/A SER 28.A N ASN 206.A OD1 no hydrogen 2.991 N/A GLU 29.A N PRO 26.A O no hydrogen 2.956 N/A LYS 30.A N ILE 27.A O no hydrogen 3.110 N/A LYS 30.A NZ TYR 21.A O no hydrogen 3.159 N/A SER 31.A N GLU 22.A OE1 no hydrogen 2.990 N/A SER 31.A OG TYR 21.A OH no hydrogen 3.153 N/A SER 31.A OG GLU 22.A OE2 no hydrogen 2.691 N/A ASN 32.A ND2 GLU 56.A OE2 no hydrogen 2.905 N/A ASN 32.A ND2 PRO 248.A O no hydrogen 3.036 N/A MET 34.A N ASN 32.A OD1 no hydrogen 3.036 N/A THR 35.A N ASN 32.A O no hydrogen 3.196 N/A THR 35.A OG1 THR 35.A O no hydrogen 2.130 N/A THR 35.A OG1 GLY 250.A O no hydrogen 3.128 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 3.074 N/A GLN 45.A N ASP 42.A O no hydrogen 2.759 N/A GLN 45.A N ASP 42.A OD1 no hydrogen 3.196 N/A LEU 46.A N ASP 42.A O no hydrogen 3.127 N/A VAL 47.A N PRO 43.A O no hydrogen 3.162 N/A GLN 48.A N SER 44.A O no hydrogen 3.193 N/A LEU 49.A N GLN 45.A O no hydrogen 2.977 N/A LEU 50.A N LEU 46.A O no hydrogen 3.105 N/A ARG 51.A N VAL 47.A O no hydrogen 2.898 N/A ARG 51.A NE ASP 52.A OD1 no hydrogen 3.417 N/A ASP 52.A N GLN 48.A O no hydrogen 3.043 N/A ASP 52.A N LEU 49.A O no hydrogen 3.092 N/A CYS 53.A N LEU 49.A O no hydrogen 3.049 N/A CYS 53.A SG LEU 49.A O no hydrogen 3.358 N/A ASP 54.A N LEU 50.A O no hydrogen 3.075 N/A ALA 55.A N ARG 51.A O no hydrogen 3.250 N/A GLU 56.A N ASP 52.A O no hydrogen 3.132 N/A GLU 56.A N CYS 53.A O no hydrogen 3.142 N/A ILE 57.A N ASP 54.A O no hydrogen 3.399 N/A PHE 58.A N ALA 55.A O no hydrogen 3.190 N/A GLN 59.A N GLU 56.A O no hydrogen 3.268 N/A GLN 59.A NE2 PRO 11.A O no hydrogen 2.400 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.660 N/A LEU 65.A N ASP 62.A O no hydrogen 3.279 N/A ILE 66.A N GLU 63.A O no hydrogen 3.428 N/A HIS 69.A ND1 GLU 61.A OE1 no hydrogen 3.045 N/A ARG 70.A N SER 73.A OG no hydrogen 2.944 N/A ARG 70.A NE ALA 245.A O no hydrogen 2.674 N/A ARG 70.A NH1 GLN 59.A OE1 no hydrogen 3.118 N/A ARG 70.A NH2 GLN 59.A OE1 no hydrogen 3.236 N/A SER 73.A OG ARG 70.A O no hydrogen 3.041 N/A LEU 77.A N SER 73.A O no hydrogen 2.982 N/A LYS 78.A N GLU 74.A O no hydrogen 2.998 N/A THR 79.A N SER 75.A O no hydrogen 2.914 N/A THR 79.A OG1 SER 75.A O no hydrogen 2.782 N/A MET 80.A N VAL 76.A O no hydrogen 3.106 N/A GLY 81.A N LEU 77.A O no hydrogen 3.114 N/A ASP 82.A N LYS 78.A O no hydrogen 2.989 N/A VAL 83.A N THR 79.A O no hydrogen 3.017 N/A ALA 84.A N MET 80.A O no hydrogen 3.105 N/A LYS 85.A N GLY 81.A O no hydrogen 3.139 N/A LYS 85.A NZ GLY 81.A O no hydrogen 3.489 N/A ARG 86.A N ASP 82.A O no hydrogen 3.231 N/A VAL 87.A N VAL 83.A O no hydrogen 2.934 N/A GLN 88.A N ALA 84.A O no hydrogen 3.133 N/A LEU 91.A N VAL 87.A O no hydrogen 3.010 N/A LYS 92.A N GLN 88.A O no hydrogen 2.700 N/A LYS 92.A NZ GLN 88.A OE1 no hydrogen 3.562 N/A LYS 92.A NZ GLU 278.A OE1 no hydrogen 3.181 N/A ASN 93.A ND2 GLU 89.A O no hydrogen 2.694 N/A SER 97.A N ASN 93.A O no hydrogen 3.141 N/A SER 97.A OG ASN 93.A O no hydrogen 3.004 N/A SER 97.A OG ASP 96.A OD1 no hydrogen 3.252 N/A LEU 98.A N ASN 169.A O no hydrogen 2.964 N/A VAL 99.A N CYS 130.A O no hydrogen 2.674 N/A VAL 100.A N LEU 171.A O no hydrogen 2.905 N/A LEU 101.A N CYS 132.A O no hydrogen 2.911 N/A SER 102.A N ILE 173.A O no hydrogen 2.973 N/A SER 102.A OG ILE 134.A O no hydrogen 3.227 N/A SER 102.A OG GLN 187.A OE1 no hydrogen 2.607 N/A GLY 103.A N ILE 134.A O no hydrogen 3.229 N/A CYS 104.A SG SER 136.A OG no hydrogen 2.967 N/A ARG 109.A N GLY 105.A O no hydrogen 3.076 N/A LEU 110.A N THR 106.A O no hydrogen 2.820 N/A ALA 111.A N SER 107.A O no hydrogen 2.975 N/A LEU 112.A N GLY 108.A O no hydrogen 3.171 N/A LEU 113.A N ARG 109.A O no hydrogen 3.068 N/A LEU 114.A N LEU 110.A O no hydrogen 2.956 N/A ALA 115.A N ALA 111.A O no hydrogen 3.008 N/A ASN 116.A N LEU 112.A O no hydrogen 3.088 N/A SER 117.A N LEU 113.A O no hydrogen 3.037 N/A SER 117.A OG LEU 113.A O no hydrogen 2.703 N/A PHE 118.A N LEU 114.A O no hydrogen 3.128 N/A ASN 119.A N ALA 115.A O no hydrogen 3.036 N/A ASN 119.A ND2 TYR 131.A O no hydrogen 3.082 N/A GLY 120.A N ASN 116.A O no hydrogen 2.924 N/A LEU 121.A N SER 117.A O no hydrogen 3.061 N/A LEU 122.A N PHE 118.A O no hydrogen 3.211 N/A LYS 123.A N ASN 119.A O no hydrogen 2.982 N/A GLY 124.A N GLY 120.A O no hydrogen 3.190 N/A LEU 125.A N LEU 122.A O no hydrogen 3.044 N/A HIS 126.A N LYS 123.A O no hydrogen 3.088 N/A LYS 127.A N LEU 122.A O no hydrogen 2.769 N/A CYS 130.A SG THR 128.A O no hydrogen 3.359 N/A TYR 131.A N ASN 119.A OD1 no hydrogen 3.152 N/A TYR 131.A OH HIS 275.A NE2 no hydrogen 2.785 N/A CYS 132.A N VAL 99.A O no hydrogen 2.896 N/A TYR 133.A OH ASP 139.A OD1 no hydrogen 2.789 N/A TYR 133.A OH ASP 139.A OD2 no hydrogen 2.611 N/A ILE 134.A N LEU 101.A O no hydrogen 2.858 N/A SER 136.A OG SER 149.A O no hydrogen 3.339 N/A ASP 139.A N GLU 367.A OE2 no hydrogen 3.490 N/A SER 141.A N GLY 138.A O no hydrogen 2.888 N/A SER 141.A OG SER 136.A O no hydrogen 2.810 N/A SER 141.A OG GLN 146.A OE1 no hydrogen 2.637 N/A ILE 142.A N ASP 139.A O no hydrogen 3.354 N/A THR 144.A N ARG 140.A O no hydrogen 3.243 N/A SER 149.A N GLN 146.A O no hydrogen 3.315 N/A SER 149.A OG GLN 146.A O no hydrogen 2.777 N/A GLN 154.A N GLN 154.A OE1 no hydrogen 2.796 N/A GLN 154.A NE2 GLY 218.A O no hydrogen 2.594 N/A LEU 155.A N ASN 152.A OD1 no hydrogen 2.789 N/A ALA 157.A N PRO 153.A O no hydrogen 3.349 N/A GLN 158.A N GLN 154.A O no hydrogen 3.095 N/A GLU 159.A N LEU 155.A O no hydrogen 3.308 N/A LEU 160.A N GLY 156.A O no hydrogen 3.276 N/A GLU 161.A N ALA 157.A O no hydrogen 3.241 N/A LYS 162.A N GLN 158.A O no hydrogen 2.863 N/A VAL 163.A N GLU 159.A O no hydrogen 3.081 N/A CYS 164.A N LEU 160.A O no hydrogen 3.224 N/A CYS 164.A SG LEU 160.A O no hydrogen 3.353 N/A LYS 167.A N CYS 164.A O no hydrogen 3.143 N/A LYS 168.A N ASP 96.A O no hydrogen 2.800 N/A ASN 169.A N ASP 96.A O no hydrogen 3.274 N/A VAL 170.A N VAL 197.A O no hydrogen 2.648 N/A LEU 171.A N LEU 98.A O no hydrogen 3.064 N/A PHE 172.A N LEU 199.A O no hydrogen 2.969 N/A ILE 173.A N VAL 100.A O no hydrogen 2.786 N/A GLY 174.A N VAL 201.A O no hydrogen 2.813 N/A ILE 175.A N SER 102.A O no hydrogen 2.723 N/A SER 176.A N VAL 203.A O no hydrogen 2.952 N/A CYS 177.A SG SER 255.A O no hydrogen 3.840 N/A LEU 179.A N SER 176.A O no hydrogen 3.117 N/A SER 180.A N SER 176.A OG no hydrogen 3.137 N/A PHE 183.A N GLU 150.A O no hydrogen 3.025 N/A ALA 185.A N ALA 181.A O no hydrogen 3.030 N/A GLY 186.A N PRO 182.A O no hydrogen 2.880 N/A GLN 187.A NE2 GLY 156.A O no hydrogen 3.425 N/A LEU 188.A N ILE 184.A O no hydrogen 3.002 N/A ASP 189.A N ALA 185.A O no hydrogen 2.994 N/A PHE 190.A N GLY 186.A O no hydrogen 2.975 N/A CYS 191.A N GLN 187.A O no hydrogen 2.979 N/A CYS 191.A SG GLN 187.A O no hydrogen 3.240 N/A MET 192.A N LEU 188.A O no hydrogen 3.069 N/A ARG 193.A NE ASP 189.A OD1 no hydrogen 3.370 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 3.203 N/A ARG 193.A NH2 ASP 189.A OD1 no hydrogen 3.505 N/A HIS 194.A N CYS 191.A O no hydrogen 3.085 N/A HIS 194.A ND1 PHE 190.A O no hydrogen 3.095 N/A VAL 197.A N HIS 194.A O no hydrogen 3.314 N/A TYR 198.A N HIS 194.A O no hydrogen 2.912 N/A LEU 199.A N VAL 170.A O no hydrogen 2.775 N/A VAL 201.A N PHE 172.A O no hydrogen 2.669 N/A LEU 202.A N PHE 240.A O no hydrogen 2.927 N/A VAL 203.A N GLY 174.A O no hydrogen 2.822 N/A GLY 204.A N LEU 242.A O no hydrogen 3.186 N/A PHE 205.A N CYS 177.A O no hydrogen 2.354 N/A ASN 206.A ND2 SER 28.A OG no hydrogen 2.615 N/A ASN 206.A ND2 GLY 178.A O no hydrogen 3.441 N/A MET 210.A N PRO 207.A O no hydrogen 2.866 N/A ALA 211.A N VAL 208.A O no hydrogen 3.358 N/A ARG 212.A N LEU 179.A O no hydrogen 3.320 N/A ARG 212.A NE GLU 214.A OE1 no hydrogen 2.727 N/A ARG 212.A NH2 GLU 214.A OE2 no hydrogen 3.063 N/A ARG 215.A NE HIS 220.A O no hydrogen 2.439 N/A ILE 216.A N SER 221.A O no hydrogen 3.361 N/A HIS 220.A ND1 SER 221.A OG no hydrogen 2.738 N/A SER 221.A OG HIS 220.A ND1 no hydrogen 2.738 N/A SER 222.A N GLN 225.A OE1 no hydrogen 3.030 N/A ARG 224.A N ARG 212.A O no hydrogen 2.923 N/A ARG 224.A NE ALA 211.A O no hydrogen 2.948 N/A ARG 224.A NH2 ALA 211.A O no hydrogen 3.032 N/A GLN 225.A N SER 222.A OG no hydrogen 3.229 N/A VAL 226.A N SER 222.A O no hydrogen 3.170 N/A ALA 227.A N PHE 223.A O no hydrogen 2.773 N/A GLU 228.A N ARG 224.A O no hydrogen 2.728 N/A ARG 229.A N GLN 225.A O no hydrogen 3.063 N/A LEU 230.A N VAL 226.A O no hydrogen 3.122 N/A GLN 231.A N ALA 227.A O no hydrogen 2.837 N/A THR 232.A N GLU 228.A O no hydrogen 3.183 N/A THR 232.A N ARG 229.A O no hydrogen 3.217 N/A THR 232.A OG1 ARG 229.A O no hydrogen 2.498 N/A LEU 233.A N ARG 229.A O no hydrogen 3.262 N/A HIS 234.A ND1 GLY 239.A O no hydrogen 3.195 N/A ASP 235.A N GLN 231.A O no hydrogen 3.248 N/A SER 236.A N LEU 233.A O no hydrogen 3.309 N/A SER 236.A OG SER 236.A O no hydrogen 2.522 N/A GLN 237.A N HIS 234.A O no hydrogen 3.131 N/A LYS 238.A N LEU 233.A O no hydrogen 2.699 N/A GLY 239.A N LEU 233.A O no hydrogen 3.048 N/A PHE 240.A N PRO 200.A O no hydrogen 3.122 N/A LEU 242.A N LEU 202.A O no hydrogen 2.754 N/A ASN 243.A ND2 ASN 206.A O no hydrogen 2.995 N/A ALA 245.A N HIS 69.A O no hydrogen 2.529 N/A SER 252.A N ASN 495.A O no hydrogen 2.724 N/A SER 254.A N VAL 251.A O no hydrogen 3.241 N/A SER 254.A OG VAL 251.A O no hydrogen 3.427 N/A ARG 256.A NH2 THR 482.A OG1 no hydrogen 3.043 N/A MET 257.A N SER 254.A O no hydrogen 3.378 N/A LYS 258.A N GLU 249.A OE1 no hydrogen 2.838 N/A LYS 258.A NZ GLU 56.A OE2 no hydrogen 2.939 N/A LYS 258.A NZ VAL 246.A O no hydrogen 2.745 N/A LYS 258.A NZ PRO 248.A O no hydrogen 2.883 N/A GLY 259.A N GLU 249.A OE2 no hydrogen 3.025 N/A SER 261.A N MET 257.A O no hydrogen 2.742 N/A SER 261.A OG MET 257.A O no hydrogen 2.823 N/A ALA 262.A N LYS 258.A O no hydrogen 2.780 N/A THR 263.A N GLY 259.A O no hydrogen 3.048 N/A THR 263.A OG1 GLY 259.A O no hydrogen 2.575 N/A LYS 264.A N GLY 260.A O no hydrogen 3.088 N/A LYS 264.A NZ GLU 471.A OE1 no hydrogen 3.392 N/A ILE 265.A N SER 261.A O no hydrogen 2.952 N/A LEU 266.A N ALA 262.A O no hydrogen 2.686 N/A LEU 267.A N THR 263.A O no hydrogen 3.095 N/A GLU 268.A N LYS 264.A O no hydrogen 3.182 N/A THR 269.A N ILE 265.A O no hydrogen 3.168 N/A THR 269.A OG1 ILE 265.A O no hydrogen 2.688 N/A LEU 270.A N LEU 266.A O no hydrogen 3.167 N/A LEU 271.A N LEU 267.A O no hydrogen 2.760 N/A LEU 272.A N GLU 268.A O no hydrogen 2.799 N/A VAL 273.A N THR 269.A O no hydrogen 3.285 N/A ALA 274.A N LEU 270.A O no hydrogen 3.353 N/A HIS 275.A N LEU 271.A O no hydrogen 3.130 N/A HIS 275.A NE2 TYR 131.A OH no hydrogen 2.785 N/A LYS 276.A N LEU 272.A O no hydrogen 2.989 N/A ALA 277.A N VAL 273.A O no hydrogen 2.963 N/A LYS 282.A NZ GLU 286.A OE1 no hydrogen 2.981 N/A CYS 283.A N THR 280.A O no hydrogen 3.349 N/A CYS 283.A N THR 280.A OG1 no hydrogen 3.324 N/A CYS 283.A SG THR 280.A OG1 no hydrogen 3.173 N/A LEU 285.A N GLU 281.A O no hydrogen 3.384 N/A GLU 286.A N LYS 282.A O no hydrogen 3.292 N/A GLU 286.A N CYS 283.A O no hydrogen 3.257 N/A ILE 287.A N CYS 283.A O no hydrogen 3.383 N/A LEU 288.A N LEU 284.A O no hydrogen 2.839 N/A ARG 289.A N LEU 285.A O no hydrogen 3.106 N/A THR 290.A N ILE 287.A O no hydrogen 3.168 N/A THR 290.A OG1 ILE 287.A O no hydrogen 2.342 N/A TYR 291.A N LEU 288.A O no hydrogen 3.103 N/A TYR 291.A OH GLU 268.A OE1 no hydrogen 2.559 N/A GLU 292.A N LEU 288.A O no hydrogen 3.084 N/A ARG 293.A N ARG 289.A O no hydrogen 2.884 N/A ALA 294.A N THR 290.A O no hydrogen 2.958 N/A HIS 295.A N TYR 291.A O no hydrogen 3.117 N/A HIS 295.A NE2 ARG 51.A O no hydrogen 3.045 N/A LYS 296.A N GLU 292.A O no hydrogen 3.075 N/A VAL 297.A N ARG 293.A O no hydrogen 3.070 N/A THR 298.A N ALA 294.A O no hydrogen 3.202 N/A THR 298.A OG1 ALA 294.A O no hydrogen 2.555 N/A THR 298.A OG1 SER 473.A OG no hydrogen 2.806 N/A TYR 299.A N HIS 295.A O no hydrogen 3.200 N/A TYR 299.A OH ASP 54.A OD2 no hydrogen 2.734 N/A TYR 299.A OH THR 480.A OG1 no hydrogen 3.258 N/A SER 300.A N VAL 297.A O no hydrogen 3.365 N/A SER 300.A OG VAL 297.A O no hydrogen 2.581 N/A GLN 301.A N THR 298.A O no hydrogen 3.388 N/A SER 302.A OG TYR 299.A O no hydrogen 2.483 N/A LYS 304.A NZ ILE 448.A O no hydrogen 3.002 N/A ILE 305.A N GLN 301.A O no hydrogen 2.973 N/A ALA 306.A N SER 302.A O no hydrogen 2.925 N/A ALA 307.A N LYS 303.A O no hydrogen 3.172 N/A LEU 308.A N LYS 304.A O no hydrogen 3.095 N/A MET 309.A N ILE 305.A O no hydrogen 3.022 N/A LYS 310.A N ALA 306.A O no hydrogen 3.158 N/A GLN 311.A N ALA 307.A O no hydrogen 2.922 N/A THR 312.A N LEU 308.A O no hydrogen 3.063 N/A THR 312.A OG1 LEU 308.A O no hydrogen 3.111 N/A THR 312.A OG1 MET 309.A O no hydrogen 2.553 N/A ALA 313.A N MET 309.A O no hydrogen 2.952 N/A THR 314.A N LYS 310.A O no hydrogen 2.870 N/A THR 314.A OG1 LYS 310.A O no hydrogen 3.176 N/A THR 314.A OG1 GLN 311.A O no hydrogen 2.639 N/A THR 314.A OG1 GLN 311.A OE1 no hydrogen 3.510 N/A SER 315.A N GLN 311.A O no hydrogen 3.094 N/A SER 315.A OG GLN 311.A O no hydrogen 3.006 N/A SER 315.A OG THR 395.A O no hydrogen 3.082 N/A SER 315.A OG THR 397.A OG1 no hydrogen 2.421 N/A LEU 316.A N THR 312.A O no hydrogen 3.042 N/A GLN 317.A N ALA 313.A O no hydrogen 3.055 N/A LYS 318.A N THR 314.A O no hydrogen 3.126 N/A LYS 319.A N LEU 316.A O no hydrogen 3.310 N/A GLY 320.A N SER 315.A O no hydrogen 2.662 N/A LEU 322.A N ASP 351.A O no hydrogen 2.944 N/A TYR 323.A N THR 397.A O no hydrogen 2.929 N/A ILE 324.A N ARG 353.A O no hydrogen 2.815 N/A LEU 325.A N LEU 399.A O no hydrogen 2.779 N/A GLY 326.A N PHE 355.A O no hydrogen 3.054 N/A TRP 327.A N ILE 401.A O no hydrogen 2.856 N/A THR 329.A OG1 GLU 471.A OE2 no hydrogen 2.947 N/A GLY 331.A N GLY 328.A O no hydrogen 3.026 N/A VAL 333.A N THR 329.A O no hydrogen 3.217 N/A GLY 334.A N LEU 330.A O no hydrogen 3.134 N/A ILE 335.A N GLY 331.A O no hydrogen 3.184 N/A ILE 335.A N LEU 332.A O no hydrogen 3.097 N/A MET 336.A N LEU 332.A O no hydrogen 3.087 N/A ALA 338.A N ILE 335.A O no hydrogen 2.949 N/A VAL 339.A N ILE 335.A O no hydrogen 2.920 N/A CYS 341.A N ALA 338.A O no hydrogen 3.363 N/A CYS 341.A SG ASP 337.A O no hydrogen 3.201 N/A THR 344.A OG1 GLU 340.A O no hydrogen 2.764 N/A TYR 345.A N CYS 341.A O no hydrogen 3.346 N/A TYR 345.A OH SER 483.A OG no hydrogen 3.016 N/A ALA 347.A N CYS 341.A O no hydrogen 3.357 N/A ARG 350.A N ASP 348.A OD1 no hydrogen 3.288 N/A ASP 351.A N ASP 348.A O no hydrogen 3.081 N/A ARG 353.A N LEU 322.A O no hydrogen 3.134 N/A PHE 355.A N ILE 324.A O no hydrogen 2.813 N/A ILE 356.A N ILE 379.A O no hydrogen 2.970 N/A THR 357.A OG1 GLY 326.A O no hydrogen 3.299 N/A GLY 358.A N SER 362.A OG no hydrogen 2.541 N/A GLY 359.A N ILE 356.A O no hydrogen 2.964 N/A TYR 360.A OH PHE 377.A O no hydrogen 2.391 N/A SER 362.A N GLY 359.A O no hydrogen 3.223 N/A GLU 364.A N TYR 360.A O no hydrogen 2.919 N/A ASN 365.A ND2 ASP 139.A OD2 no hydrogen 3.493 N/A ASN 365.A ND2 GLY 368.A O no hydrogen 2.435 N/A LYS 366.A N TYR 133.A OH no hydrogen 2.719 N/A LYS 366.A NZ TYR 133.A O no hydrogen 3.312 N/A GLU 367.A N ASP 139.A OD2 no hydrogen 3.017 N/A GLY 368.A N ASN 365.A O no hydrogen 3.080 N/A SER 371.A N ASP 369.A OD2 no hydrogen 2.810 N/A SER 371.A OG SER 378.A OG no hydrogen 3.187 N/A LEU 373.A N LEU 370.A O no hydrogen 2.888 N/A SER 378.A N PRO 375.A O no hydrogen 3.326 N/A SER 378.A OG SER 371.A OG no hydrogen 3.187 N/A SER 380.A OG GLU 382.A OE1 no hydrogen 3.034 N/A SER 380.A OG ASP 383.A OD2 no hydrogen 2.648 N/A GLU 382.A N GLU 382.A OE1 no hydrogen 2.750 N/A ASP 383.A N SER 380.A OG no hydrogen 3.234 N/A PHE 384.A N SER 380.A O no hydrogen 2.964 N/A VAL 385.A N HIS 381.A O no hydrogen 2.962 N/A LYS 386.A N GLU 382.A O no hydrogen 2.918 N/A ASN 387.A N ASP 383.A O no hydrogen 3.018 N/A LEU 389.A N PHE 384.A O no hydrogen 2.722 N/A SER 391.A N VAL 388.A O no hydrogen 3.097 N/A VAL 392.A N LEU 389.A O no hydrogen 3.437 N/A SER 393.A OG THR 395.A OG1 no hydrogen 2.909 N/A SER 393.A OG ASP 396.A OD1 no hydrogen 3.093 N/A THR 395.A OG1 SER 393.A OG no hydrogen 2.909 N/A THR 395.A OG1 ASP 396.A OD1 no hydrogen 3.373 N/A ASP 396.A N SER 393.A O no hydrogen 3.339 N/A THR 397.A N HIS 321.A O no hydrogen 2.899 N/A THR 397.A OG1 GLN 311.A OE1 no hydrogen 3.306 N/A THR 397.A OG1 SER 315.A OG no hydrogen 2.421 N/A VAL 398.A N ASN 424.A O no hydrogen 3.060 N/A LEU 399.A N TYR 323.A O no hydrogen 2.834 N/A LEU 400.A N GLN 426.A O no hydrogen 2.884 N/A ILE 401.A N LEU 325.A O no hydrogen 2.823 N/A PHE 402.A N ILE 428.A O no hydrogen 3.143 N/A THR 403.A N ASP 406.A OD2 no hydrogen 2.913 N/A ASP 405.A N THR 403.A OG1 no hydrogen 3.138 N/A GLN 410.A N ASP 407.A OD1 no hydrogen 2.652 N/A ILE 411.A N ASP 407.A O no hydrogen 3.373 N/A GLU 412.A N LEU 408.A O no hydrogen 3.152 N/A LYS 413.A N ASN 409.A O no hydrogen 3.098 N/A LEU 414.A N GLN 410.A O no hydrogen 3.331 N/A VAL 415.A N ILE 411.A O no hydrogen 3.135 N/A LEU 417.A N LYS 413.A O no hydrogen 3.351 N/A VAL 418.A N LEU 414.A O no hydrogen 3.098 N/A LYS 419.A N VAL 415.A O no hydrogen 2.835 N/A LYS 419.A NZ THR 444.A O no hydrogen 2.599 N/A GLU 420.A N ALA 416.A O no hydrogen 3.327 N/A LYS 421.A N VAL 418.A O no hydrogen 2.948 N/A THR 422.A N VAL 418.A O no hydrogen 2.655 N/A THR 422.A OG1 GLU 394.A O no hydrogen 3.344 N/A THR 422.A OG1 ASP 396.A O no hydrogen 3.056 N/A ASN 424.A N THR 422.A OG1 no hydrogen 3.187 N/A ASN 424.A ND2 ASP 396.A O no hydrogen 3.377 N/A ILE 425.A N SER 423.A O no hydrogen 2.822 N/A GLN 426.A N VAL 398.A O no hydrogen 3.047 N/A ILE 428.A N LEU 400.A O no hydrogen 2.720 N/A CYS 429.A N ILE 449.A O no hydrogen 2.949 N/A CYS 429.A SG HIS 430.A O no hydrogen 3.709 N/A HIS 430.A N PHE 402.A O no hydrogen 3.006 N/A HIS 430.A NE2 THR 474.A OG1 no hydrogen 2.966 N/A ALA 431.A N LEU 451.A O no hydrogen 2.884 N/A THR 432.A N GLN 435.A OE1 no hydrogen 3.102 N/A ALA 433.A N TRP 453.A O no hydrogen 2.804 N/A GLN 435.A N THR 432.A O no hydrogen 2.699 N/A GLN 435.A NE2 ASP 405.A OD1 no hydrogen 3.222 N/A LYS 442.A N PRO 438.A O no hydrogen 3.056 N/A LYS 443.A N ASN 439.A O no hydrogen 2.940 N/A THR 444.A N SER 440.A O no hydrogen 3.233 N/A THR 444.A OG1 GLU 412.A OE1 no hydrogen 3.321 N/A THR 444.A OG1 SER 440.A O no hydrogen 2.377 N/A ILE 445.A N LEU 441.A O no hydrogen 2.861 N/A ILE 449.A N VAL 427.A O no hydrogen 2.793 N/A LEU 451.A N CYS 429.A O no hydrogen 2.790 N/A TRP 453.A N ALA 431.A O no hydrogen 2.705 N/A TRP 453.A NE1 HIS 430.A ND1 no hydrogen 3.175 N/A TYR 460.A OH LEU 121.A O no hydrogen 2.757 N/A PHE 464.A N GLU 461.A O no hydrogen 3.116 N/A ILE 465.A N GLU 461.A O no hydrogen 3.161 N/A GLN 466.A N GLY 462.A O no hydrogen 2.988 N/A LYS 467.A N ALA 463.A O no hydrogen 3.170 N/A LYS 467.A NZ SER 117.A OG no hydrogen 3.089 N/A LYS 467.A NZ GLU 471.A OE2 no hydrogen 2.581 N/A PHE 468.A N PHE 464.A O no hydrogen 2.824 N/A GLN 469.A N ILE 465.A O no hydrogen 2.909 N/A GLN 469.A NE2 THR 290.A O no hydrogen 2.973 N/A ARG 470.A N GLN 466.A O no hydrogen 3.073 N/A GLU 471.A N LYS 467.A O no hydrogen 2.866 N/A LEU 472.A N PHE 468.A O no hydrogen 2.887 N/A SER 473.A N GLN 469.A O no hydrogen 2.906 N/A SER 473.A OG THR 298.A OG1 no hydrogen 2.806 N/A THR 474.A N ARG 470.A O no hydrogen 2.983 N/A THR 474.A OG1 HIS 430.A NE2 no hydrogen 2.966 N/A THR 474.A OG1 ARG 470.A O no hydrogen 2.646 N/A LYS 475.A N GLU 471.A O no hydrogen 3.003 N/A LYS 475.A NZ ARG 256.A O no hydrogen 2.748 N/A TRP 476.A N LEU 472.A O no hydrogen 3.017 N/A ILE 477.A N SER 473.A O no hydrogen 3.132 N/A LEU 478.A N THR 474.A O no hydrogen 2.854 N/A ASP 479.A N LYS 475.A O no hydrogen 2.534 N/A THR 480.A N TRP 476.A O no hydrogen 2.918 N/A THR 480.A OG1 TYR 299.A OH no hydrogen 3.258 N/A THR 480.A OG1 TRP 476.A O no hydrogen 2.888 N/A VAL 481.A N ILE 477.A O no hydrogen 2.762 N/A THR 482.A N LEU 478.A O no hydrogen 2.998 N/A THR 482.A OG1 LEU 478.A O no hydrogen 2.576 N/A THR 482.A OG1 ASP 479.A O no hydrogen 3.293 N/A SER 483.A N ASP 479.A O no hydrogen 3.110 N/A SER 483.A OG TYR 345.A OH no hydrogen 3.016 N/A GLY 484.A N THR 480.A O no hydrogen 2.813 N/A ALA 485.A N VAL 481.A O no hydrogen 2.926 N/A TYR 486.A N THR 482.A O no hydrogen 3.221 N/A THR 487.A N SER 483.A O no hydrogen 3.044 N/A THR 487.A OG1 SER 483.A O no hydrogen 2.499 N/A LEU 488.A N GLY 484.A O no hydrogen 2.994 N/A ARG 489.A N ALA 485.A O no hydrogen 3.002 N/A GLY 490.A N THR 487.A O no hydrogen 3.120 N/A LYS 491.A N TYR 486.A O no hydrogen 3.116 N/A LYS 491.A NZ TYR 345.A O no hydrogen 3.350 N/A PHE 493.A N PHE 496.A O no hydrogen 3.425 N/A ASN 495.A ND2 ASN 32.A O no hydrogen 2.964 N/A LYS 501.A NZ ASP 560.A OD1 no hydrogen 3.116 N/A ASN 503.A ND2 GLU 147.A OE1 no hydrogen 2.850 N/A ASN 504.A ND2 GLU 147.A O no hydrogen 3.256 N/A SER 505.A N ASP 151.A OD2 no hydrogen 2.988 N/A SER 505.A OG ASP 151.A OD1 no hydrogen 2.788 N/A LEU 507.A N ASN 504.A OD1 no hydrogen 2.820 N/A PHE 508.A N ASN 504.A O no hydrogen 3.107 N/A HIS 509.A N SER 505.A O no hydrogen 2.989 N/A ARG 510.A N LYS 506.A O no hydrogen 2.935 N/A ARG 510.A NE GLU 29.A OE1 no hydrogen 3.021 N/A ARG 510.A NH2 GLU 29.A OE1 no hydrogen 3.432 N/A ARG 510.A NH2 GLU 29.A OE2 no hydrogen 2.920 N/A ALA 511.A N LEU 507.A O no hydrogen 2.918 N/A THR 512.A N PHE 508.A O no hydrogen 3.075 N/A THR 512.A OG1 PHE 508.A O no hydrogen 3.086 N/A SER 513.A N HIS 509.A O no hydrogen 2.917 N/A SER 513.A OG HIS 509.A O no hydrogen 2.816 N/A VAL 514.A N ARG 510.A O no hydrogen 2.863 N/A LEU 515.A N ALA 511.A O no hydrogen 3.246 N/A GLN 516.A N THR 512.A O no hydrogen 3.082 N/A ARG 517.A N SER 513.A O no hydrogen 3.230 N/A ARG 517.A NH2 SER 31.A OG no hydrogen 3.230 N/A LEU 518.A N VAL 514.A O no hydrogen 3.176 N/A THR 519.A N LEU 515.A O no hydrogen 3.123 N/A THR 519.A OG1 LEU 515.A O no hydrogen 2.522 N/A GLN 524.A NE2 GLU 528.A OE2 no hydrogen 2.981 N/A CYS 526.A N SER 522.A O no hydrogen 3.117 N/A CYS 526.A SG GLN 521.A O no hydrogen 3.993 N/A CYS 526.A SG SER 522.A O no hydrogen 3.171 N/A THR 527.A N GLN 523.A O no hydrogen 3.002 N/A THR 527.A OG1 GLN 523.A O no hydrogen 2.792 N/A GLU 528.A N GLN 524.A O no hydrogen 3.271 N/A VAL 529.A N ARG 525.A O no hydrogen 3.125 N/A LEU 530.A N CYS 526.A O no hydrogen 3.170 N/A LEU 531.A N THR 527.A O no hydrogen 3.037 N/A GLN 532.A N GLU 528.A O no hydrogen 2.779 N/A GLN 532.A NE2 GLN 538.A O no hydrogen 2.374 N/A SER 533.A N VAL 529.A O no hydrogen 3.160 N/A SER 533.A N LEU 530.A O no hydrogen 3.275 N/A SER 533.A OG VAL 562.A O no hydrogen 3.047 N/A ILE 534.A N LEU 530.A O no hydrogen 3.081 N/A TYR 535.A N LEU 531.A O no hydrogen 3.079 N/A TYR 535.A OH HIS 552.A ND1 no hydrogen 2.473 N/A THR 539.A OG1 GLU 537.A OE2 no hydrogen 3.471 N/A ARG 545.A NE SER 541.A O no hydrogen 3.187 N/A ARG 545.A NH2 LEU 540.A O no hydrogen 2.736 N/A ASN 546.A ND2 GLU 542.A OE2 no hydrogen 3.369 N/A THR 547.A N ILE 544.A O no hydrogen 3.294 N/A THR 547.A OG1 GLN 543.A O no hydrogen 2.368 N/A ILE 549.A N GLU 217.A OE2 no hydrogen 2.911 N/A ALA 550.A N GLU 217.A OE1 no hydrogen 3.262 N/A GLY 551.A N THR 548.A O no hydrogen 3.023 N/A HIS 552.A N THR 548.A O no hydrogen 3.310 N/A HIS 552.A ND1 TYR 535.A OH no hydrogen 2.473 N/A VAL 553.A N ILE 549.A O no hydrogen 2.980 N/A GLU 554.A N ALA 550.A O no hydrogen 3.361 N/A ALA 555.A N GLY 551.A O no hydrogen 3.134 N/A ALA 555.A N HIS 552.A O no hydrogen 3.111 N/A ALA 556.A N HIS 552.A O no hydrogen 2.754 N/A GLN 559.A N ALA 556.A O no hydrogen 3.386 N/A GLN 559.A NE2 ILE 534.A O no hydrogen 3.126 N/A VAL 565.A N LYS 561.A O no hydrogen 3.371 N/A ALA 566.A N VAL 562.A O no hydrogen 3.274 N/A ILE 567.A N LEU 563.A O no hydrogen 2.887 N/A VAL 568.A N PRO 564.A O no hydrogen 3.178 N/A SER 569.A N VAL 565.A O no hydrogen 3.042 N/A SER 569.A OG VAL 565.A O no hydrogen 3.307 N/A SER 569.A OG ALA 566.A O no hydrogen 2.943 N/A LEU 570.A N ALA 566.A O no hydrogen 3.328 N/A LEU 570.A N ILE 567.A O no hydrogen 3.330 N/A LEU 571.A N ILE 567.A O no hydrogen 2.810 N/A ARG 572.A N VAL 568.A O no hydrogen 3.032 N/A CYS 574.A SG ARG 572.A O no hydrogen 3.597 N/A CYS 574.A SG THR 575.A O no hydrogen 3.668 N/A ILE 576.A N GLN 538.A OE1 no hydrogen 3.367 N/A SER 579.A N THR 575.A O no hydrogen 2.830 N/A SER 579.A OG VAL 565.A O no hydrogen 2.598 N/A ARG 580.A N ILE 576.A O no hydrogen 2.866 N/A SER 581.A N GLN 577.A O no hydrogen 2.956 N/A SER 581.A OG GLN 577.A O no hydrogen 3.498 N/A SER 581.A OG ASP 578.A O no hydrogen 2.918 N/A ARG 582.A N ASP 578.A O no hydrogen 3.000 N/A ASN 584.A N ARG 580.A O no hydrogen 3.405 N/A SER 585.A N SER 581.A O no hydrogen 3.214 N/A SER 585.A OG SER 581.A O no hydrogen 3.054 N/A SER 585.A OG ARG 582.A O no hydrogen 2.969 N/A SER 586.A N ILE 583.A O no hydrogen 3.054 N/A SER 586.A OG ARG 582.A O no hydrogen 2.735 N/A SER 588.A N SER 591.A OG no hydrogen 3.038 N/A SER 591.A OG SER 588.A O no hydrogen 2.653 N/A ALA 592.A N SER 588.A O no hydrogen 3.166 N/A ILE 593.A N ARG 590.A O no hydrogen 3.163 N/A GLU 594.A N ARG 590.A O no hydrogen 3.092 N/A SER 595.A N SER 591.A O no hydrogen 3.040 N/A SER 595.A OG SER 591.A O no hydrogen 2.972 N/A SER 595.A OG ALA 592.A O no hydrogen 3.134 N/A SER 596.A OG ALA 592.A O no hydrogen 2.704 N/A MET 597.A N GLU 594.A O no hydrogen 3.313 N/A