Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ THR 2.A O no hydrogen 3.287 N/A LYS 6.A NZ LEU 63.A O no hydrogen 3.273 N/A LYS 6.A NZ GLU 64.A OE1 no hydrogen 3.169 N/A SER 8.A N ASP 4.A O no hydrogen 2.938 N/A GLN 10.A N ARG 7.A O no hydrogen 3.353 N/A CYS 11.A N ARG 7.A O no hydrogen 3.125 N/A ARG 13.A N GLN 10.A O no hydrogen 3.370 N/A TYR 15.A N TYR 12.A O no hydrogen 3.253 N/A TYR 15.A OH GLU 97.A OE1 no hydrogen 2.791 N/A ILE 16.A N ARG 13.A O no hydrogen 3.155 N/A GLU 17.A N ARG 13.A O no hydrogen 3.274 N/A ARG 18.A N ARG 14.A O no hydrogen 3.137 N/A ARG 18.A NH2 GLU 100.A OE1 no hydrogen 3.389 N/A ARG 18.A NH2 GLU 100.A OE2 no hydrogen 2.990 N/A SER 19.A OG ARG 159.A O no hydrogen 2.960 N/A LEU 20.A N ILE 16.A O no hydrogen 3.044 N/A ASN 21.A N TYR 81.A OH no hydrogen 3.003 N/A ASN 21.A ND2 GLU 45.A OE2 no hydrogen 2.897 N/A VAL 23.A N ASN 21.A OD1 no hydrogen 3.300 N/A TYR 24.A N ASN 21.A O no hydrogen 3.337 N/A VAL 25.A N PRO 22.A O no hydrogen 3.005 N/A MET 29.A N LEU 26.A O no hydrogen 3.420 N/A ARG 38.A N PRO 34.A O no hydrogen 3.265 N/A ARG 38.A NH2 ASP 35.A OD1 no hydrogen 2.644 N/A ARG 40.A N GLU 36.A O no hydrogen 3.058 N/A ILE 41.A N LEU 37.A O no hydrogen 3.361 N/A LYS 43.A N GLU 39.A O no hydrogen 3.130 N/A GLU 45.A N ILE 41.A O no hydrogen 2.866 N/A ARG 47.A N GLU 44.A O no hydrogen 2.847 N/A GLY 48.A N GLU 44.A O no hydrogen 2.779 N/A SER 50.A OG GLU 17.A O no hydrogen 2.975 N/A ALA 52.A N GLY 48.A O no hydrogen 2.596 N/A ALA 54.A N GLY 51.A O no hydrogen 3.447 N/A LEU 55.A N ALA 52.A O no hydrogen 3.291 N/A PHE 56.A N ALA 52.A O no hydrogen 3.132 N/A ALA 59.A N LEU 55.A O no hydrogen 3.248 N/A LEU 61.A N LEU 57.A O no hydrogen 3.258 N/A LEU 63.A N VAL 60.A O no hydrogen 3.128 N/A TRP 68.A N ALA 65.A O no hydrogen 3.311 N/A ARG 70.A N GLY 67.A O no hydrogen 2.963 N/A ARG 70.A NH1 GLU 89.A OE2 no hydrogen 2.996 N/A ARG 70.A NH2 ASP 74.A OD1 no hydrogen 3.440 N/A ARG 70.A NH2 GLU 89.A OE2 no hydrogen 3.472 N/A GLY 71.A N GLY 67.A O no hydrogen 3.414 N/A MET 72.A N TRP 68.A O no hydrogen 2.962 N/A LEU 73.A N PHE 69.A O no hydrogen 3.344 N/A ASP 74.A N ARG 70.A O no hydrogen 3.151 N/A ALA 75.A N GLY 71.A O no hydrogen 2.889 N/A MET 76.A N MET 72.A O no hydrogen 2.660 N/A LEU 77.A N LEU 73.A O no hydrogen 3.118 N/A ALA 78.A N ASP 74.A O no hydrogen 2.885 N/A ALA 79.A N ALA 75.A O no hydrogen 2.875 N/A GLY 80.A N MET 76.A O no hydrogen 3.009 N/A TYR 81.A N MET 76.A O no hydrogen 2.900 N/A LEU 84.A N ASP 161.A OD2 no hydrogen 3.200 N/A ALA 85.A N TYR 81.A O no hydrogen 3.090 N/A GLU 86.A N THR 82.A O no hydrogen 3.173 N/A ALA 87.A N GLY 83.A O no hydrogen 3.232 N/A ILE 88.A N LEU 84.A O no hydrogen 2.819 N/A GLU 89.A N GLU 86.A O no hydrogen 3.346 N/A ASN 90.A N GLU 86.A O no hydrogen 2.878 N/A ASP 92.A N ALA 87.A O no hydrogen 3.153 N/A SER 94.A N ASP 92.A OD1 no hydrogen 3.438 N/A SER 94.A OG ASP 92.A OD1 no hydrogen 2.959 N/A SER 94.A OG ASP 92.A OD2 no hydrogen 2.955 N/A LYS 95.A NZ GLU 86.A OE1 no hydrogen 3.425 N/A LYS 95.A NZ GLU 86.A OE2 no hydrogen 2.925 N/A GLU 97.A N PHE 93.A O no hydrogen 2.919 N/A LYS 98.A N SER 94.A O no hydrogen 3.226 N/A GLU 100.A N GLU 97.A O no hydrogen 2.912 N/A ARG 103.A N LEU 99.A O no hydrogen 2.889 N/A LEU 105.A N LEU 101.A O no hydrogen 3.085 N/A LEU 106.A N HIS 102.A O no hydrogen 2.867 N/A LYS 107.A N ARG 103.A O no hydrogen 3.257 N/A ARG 108.A N GLN 104.A O no hydrogen 3.350 N/A ARG 108.A NH1 CYS 446.A O no hydrogen 2.593 N/A ARG 108.A NH1 LEU 448.A O no hydrogen 3.409 N/A ILE 109.A N LEU 105.A O no hydrogen 2.861 N/A GLU 110.A N LYS 107.A O no hydrogen 3.384 N/A THR 112.A N ILE 109.A O no hydrogen 2.549 N/A THR 112.A OG1 GLU 469.A OE2 no hydrogen 3.351 N/A MET 113.A N GLU 110.A O no hydrogen 2.922 N/A VAL 116.A N MET 113.A O no hydrogen 2.440 N/A ASP 117.A N TYR 178.A OH no hydrogen 3.107 N/A ALA 120.A N ASP 117.A OD1 no hydrogen 3.127 N/A LEU 121.A N ASP 117.A O no hydrogen 3.281 N/A LEU 121.A N PRO 118.A O no hydrogen 3.288 N/A ILE 122.A N PRO 118.A O no hydrogen 3.046 N/A ILE 122.A N VAL 119.A O no hydrogen 3.176 N/A TYR 124.A N LEU 121.A O no hydrogen 3.170 N/A ILE 125.A N LEU 121.A O no hydrogen 3.304 N/A CYS 128.A N ILE 125.A O no hydrogen 3.142 N/A CYS 128.A SG ILE 125.A O no hydrogen 3.284 N/A CYS 128.A SG HIS 164.A NE2 no hydrogen 3.488 N/A ILE 130.A N GLU 133.A OE1 no hydrogen 2.994 N/A CYS 134.A N ILE 130.A O no hydrogen 3.134 N/A CYS 134.A SG SER 126.A O no hydrogen 4.008 N/A CYS 134.A SG SER 126.A OG no hydrogen 3.710 N/A CYS 134.A SG ILE 130.A O no hydrogen 3.988 N/A GLU 136.A N ARG 132.A O no hydrogen 3.235 N/A GLU 136.A N GLU 133.A O no hydrogen 3.067 N/A ILE 137.A N GLU 133.A O no hydrogen 3.209 N/A GLN 138.A N CYS 134.A O no hydrogen 3.433 N/A ILE 140.A N GLU 136.A O no hydrogen 3.020 N/A SER 141.A N ILE 137.A O no hydrogen 2.620 N/A GLU 142.A N GLN 138.A O no hydrogen 3.033 N/A ASN 143.A N GLN 139.A O no hydrogen 2.774 N/A ASN 143.A ND2 GLN 139.A O no hydrogen 2.924 N/A ARG 144.A N ILE 140.A O no hydrogen 2.934 N/A SER 145.A N ILE 140.A O no hydrogen 2.962 N/A LYS 146.A NZ ASP 117.A OD1 no hydrogen 3.399 N/A LYS 146.A NZ ASP 117.A OD2 no hydrogen 3.001 N/A ALA 148.A N SER 145.A OG no hydrogen 3.008 N/A GLY 149.A N SER 145.A O no hydrogen 2.792 N/A ILE 150.A N LYS 146.A O no hydrogen 3.027 N/A THR 151.A N ALA 147.A O no hydrogen 3.013 N/A THR 151.A OG1 ALA 147.A O no hydrogen 3.056 N/A LYS 152.A N ALA 148.A O no hydrogen 3.283 N/A LEU 153.A N GLY 149.A O no hydrogen 3.033 N/A ILE 154.A N ILE 150.A O no hydrogen 3.123 N/A GLU 155.A N THR 151.A O no hydrogen 3.084 N/A CYS 156.A N LYS 152.A O no hydrogen 3.139 N/A CYS 156.A SG LYS 152.A O no hydrogen 3.470 N/A LEU 157.A N LEU 153.A O no hydrogen 2.884 N/A CYS 158.A N ILE 154.A O no hydrogen 3.372 N/A CYS 158.A N GLU 155.A O no hydrogen 3.141 N/A CYS 158.A SG ARG 103.A O no hydrogen 4.002 N/A CYS 158.A SG ILE 154.A O no hydrogen 3.387 N/A ARG 159.A N GLU 155.A O no hydrogen 3.255 N/A ARG 159.A NH1 SER 50.A OG no hydrogen 2.714 N/A ARG 159.A NH2 GLU 17.A O no hydrogen 2.870 N/A ARG 159.A NH2 LEU 20.A O no hydrogen 3.041 N/A SER 160.A N LEU 157.A O no hydrogen 3.422 N/A SER 160.A OG CYS 128.A O no hydrogen 2.850 N/A LYS 162.A NZ GLY 80.A O no hydrogen 2.745 N/A LYS 162.A NZ THR 127.A O no hydrogen 3.470 N/A TRP 165.A N LYS 162.A O no hydrogen 2.741 N/A SER 168.A N HIS 164.A O no hydrogen 3.167 N/A SER 168.A OG HIS 164.A O no hydrogen 3.323 N/A LEU 169.A N TRP 165.A O no hydrogen 2.813 N/A GLN 170.A N PRO 166.A O no hydrogen 3.122 N/A LEU 171.A N LYS 167.A O no hydrogen 3.168 N/A ALA 172.A N SER 168.A O no hydrogen 2.866 N/A LEU 173.A N LEU 169.A O no hydrogen 2.660 N/A ASP 174.A N GLN 170.A O no hydrogen 3.068 N/A THR 175.A N LEU 171.A O no hydrogen 3.007 N/A THR 175.A OG1 LEU 171.A O no hydrogen 2.529 N/A THR 176.A N ALA 172.A O no hydrogen 3.050 N/A THR 176.A OG1 ALA 172.A O no hydrogen 2.651 N/A GLY 177.A N ASP 174.A O no hydrogen 3.364 N/A TYR 178.A N LEU 173.A O no hydrogen 2.852 N/A SER 182.A N TYR 178.A O no hydrogen 2.925 N/A SER 182.A OG ASP 174.A OD2 no hydrogen 3.102 N/A GLU 183.A N TYR 179.A O no hydrogen 2.823 N/A LEU 184.A N ARG 180.A O no hydrogen 3.223 N/A TRP 185.A N SER 182.A O no hydrogen 2.817 N/A TRP 185.A NE1 PRO 166.A O no hydrogen 3.019 N/A ARG 189.A N GLN 192.A OE1 no hydrogen 2.577 N/A SER 190.A OG GLU 387.A OE2 no hydrogen 3.396 N/A TYR 191.A N GLU 387.A OE1 no hydrogen 3.043 N/A TYR 191.A OH SER 213.A O no hydrogen 2.586 N/A GLN 192.A NE2 SER 213.A O no hydrogen 3.620 N/A ILE 193.A N ARG 189.A O no hydrogen 3.146 N/A GLU 194.A N SER 190.A O no hydrogen 3.069 N/A LEU 195.A N TYR 191.A O no hydrogen 2.921 N/A ALA 196.A N GLN 192.A O no hydrogen 3.087 N/A GLN 197.A N ILE 193.A O no hydrogen 2.947 N/A ILE 200.A N ALA 196.A O no hydrogen 2.929 N/A ASN 201.A N GLN 197.A O no hydrogen 2.886 N/A GLY 202.A N ALA 199.A O no hydrogen 2.949 N/A LYS 203.A N PRO 198.A O no hydrogen 3.060 N/A LYS 203.A NZ GLU 658.A OE1 no hydrogen 2.984 N/A ASN 204.A N GLN 376.A OE1 no hydrogen 2.882 N/A ASN 204.A ND2 TYR 330.A OH no hydrogen 3.546 N/A ASN 204.A ND2 ASP 374.A O no hydrogen 2.693 N/A ALA 205.A N ILE 344.A O no hydrogen 3.140 N/A LEU 206.A N ALA 377.A O no hydrogen 3.213 N/A ILE 207.A N GLY 346.A O no hydrogen 2.595 N/A CYS 208.A N SER 379.A O no hydrogen 3.007 N/A CYS 208.A SG ALA 349.A O no hydrogen 3.464 N/A ALA 209.A N THR 348.A O no hydrogen 3.265 N/A SER 213.A N PRO 210.A O no hydrogen 3.347 N/A SER 213.A OG PRO 210.A O no hydrogen 2.227 N/A THR 216.A OG1 GLN 251.A OE1 no hydrogen 3.277 N/A VAL 218.A N GLY 214.A O no hydrogen 3.173 N/A SER 219.A N LYS 215.A O no hydrogen 2.895 N/A SER 219.A OG LYS 215.A O no hydrogen 3.447 N/A SER 219.A OG THR 216.A O no hydrogen 2.594 N/A ILE 220.A N THR 216.A O no hydrogen 3.087 N/A LEU 221.A N PHE 217.A O no hydrogen 2.902 N/A ILE 222.A N VAL 218.A O no hydrogen 2.769 N/A CYS 223.A N SER 219.A O no hydrogen 3.115 N/A CYS 223.A SG SER 219.A O no hydrogen 3.240 N/A GLU 224.A N ILE 220.A O no hydrogen 3.104 N/A HIS 225.A N LEU 221.A O no hydrogen 3.049 N/A HIS 226.A N CYS 223.A O no hydrogen 2.577 N/A HIS 226.A NE2 THR 307.A OG1 no hydrogen 2.845 N/A PHE 227.A N CYS 223.A O no hydrogen 3.096 N/A ASN 229.A ND2 HIS 225.A O no hydrogen 3.177 N/A VAL 238.A N ASP 282.A O no hydrogen 3.225 N/A VAL 239.A N LEU 308.A O no hydrogen 2.872 N/A PHE 240.A N ILE 284.A O no hydrogen 2.729 N/A LEU 241.A N ILE 310.A O no hydrogen 2.979 N/A ALA 242.A N VAL 286.A O no hydrogen 3.039 N/A TYR 248.A N LYS 244.A O no hydrogen 3.041 N/A GLU 249.A N VAL 245.A O no hydrogen 3.341 N/A GLN 250.A N PRO 246.A O no hydrogen 3.000 N/A GLN 251.A N VAL 247.A O no hydrogen 3.383 N/A GLN 251.A NE2 THR 216.A OG1 no hydrogen 3.049 N/A GLN 251.A NE2 ASP 312.A OD2 no hydrogen 3.417 N/A LYS 252.A N TYR 248.A O no hydrogen 2.876 N/A LYS 252.A NZ GLU 249.A OE2 no hydrogen 3.130 N/A ASN 253.A N GLU 249.A O no hydrogen 2.936 N/A ASN 253.A ND2 GLU 249.A O no hydrogen 2.941 N/A VAL 254.A N GLN 250.A O no hydrogen 2.810 N/A PHE 255.A N GLN 251.A O no hydrogen 2.739 N/A LYS 256.A N LYS 252.A O no hydrogen 2.864 N/A HIS 257.A N ASN 253.A O no hydrogen 2.855 N/A HIS 258.A N VAL 254.A O no hydrogen 3.066 N/A PHE 259.A N PHE 255.A O no hydrogen 2.953 N/A GLU 260.A N LYS 256.A O no hydrogen 3.170 N/A GLN 262.A N PHE 259.A O no hydrogen 3.331 N/A GLY 263.A N GLU 260.A O no hydrogen 3.028 N/A SER 265.A N ASP 282.A OD2 no hydrogen 2.957 N/A SER 265.A OG ASP 280.A O no hydrogen 2.943 N/A GLN 267.A N ILE 283.A O no hydrogen 3.305 N/A GLN 267.A NE2 VAL 277.A O no hydrogen 3.666 N/A GLN 267.A NE2 SER 281.A OG no hydrogen 3.269 N/A SER 270.A OG THR 287.A OG1 no hydrogen 3.242 N/A ILE 278.A N VAL 274.A O no hydrogen 2.958 N/A GLU 279.A N GLU 275.A O no hydrogen 3.123 N/A ASP 280.A N LYS 276.A O no hydrogen 2.672 N/A SER 281.A OG VAL 277.A O no hydrogen 2.551 N/A ASP 282.A N SER 265.A O no hydrogen 2.788 N/A ILE 283.A N SER 265.A O no hydrogen 3.067 N/A ILE 284.A N VAL 238.A O no hydrogen 2.852 N/A VAL 285.A N GLN 267.A O no hydrogen 3.285 N/A VAL 286.A N PHE 240.A O no hydrogen 2.775 N/A THR 287.A OG1 SER 270.A OG no hydrogen 3.242 N/A ILE 290.A N THR 287.A O no hydrogen 3.286 N/A VAL 292.A N PRO 288.A O no hydrogen 3.177 N/A ASN 293.A N GLN 289.A O no hydrogen 3.000 N/A SER 294.A N ILE 290.A O no hydrogen 3.013 N/A SER 294.A OG ILE 290.A O no hydrogen 3.322 N/A PHE 295.A N VAL 292.A O no hydrogen 3.266 N/A GLU 296.A N VAL 292.A O no hydrogen 3.021 N/A ASP 297.A N ASN 293.A O no hydrogen 2.697 N/A THR 299.A OG1 ASP 297.A OD2 no hydrogen 2.418 N/A LEU 303.A N GLN 333.A OE1 no hydrogen 2.994 N/A THR 307.A N LYS 237.A O no hydrogen 2.932 N/A THR 307.A OG1 HIS 226.A NE2 no hydrogen 2.845 N/A THR 307.A OG1 LYS 237.A O no hydrogen 2.807 N/A LEU 308.A N LYS 237.A O no hydrogen 3.267 N/A MET 309.A N GLN 343.A O no hydrogen 2.789 N/A ILE 310.A N VAL 239.A O no hydrogen 2.812 N/A PHE 311.A N LEU 345.A O no hydrogen 2.624 N/A ASP 312.A N LEU 241.A O no hydrogen 2.901 N/A CYS 314.A N LEU 347.A O no hydrogen 2.868 N/A CYS 314.A SG LEU 347.A O no hydrogen 3.577 N/A HIS 315.A ND1 THR 348.A OG1 no hydrogen 2.554 N/A ASN 316.A N GLU 313.A O no hydrogen 3.170 N/A THR 317.A N CYS 314.A O no hydrogen 2.941 N/A THR 317.A OG1 CYS 314.A O no hydrogen 2.767 N/A THR 318.A N ASN 316.A O no hydrogen 2.821 N/A THR 318.A OG1 THR 317.A O no hydrogen 3.012 N/A HIS 321.A N THR 318.A O no hydrogen 3.275 N/A TYR 323.A N HIS 321.A ND1 no hydrogen 3.202 N/A TYR 323.A OH ASP 312.A O no hydrogen 2.643 N/A ASN 324.A ND2 GLY 319.A O no hydrogen 2.694 N/A VAL 325.A N HIS 321.A O no hydrogen 3.051 N/A LEU 326.A N PRO 322.A O no hydrogen 2.544 N/A MET 327.A N TYR 323.A O no hydrogen 2.751 N/A THR 328.A N ASN 324.A O no hydrogen 2.792 N/A THR 328.A OG1 ASN 324.A O no hydrogen 2.635 N/A TYR 330.A N LEU 326.A O no hydrogen 3.179 N/A TYR 330.A OH ASP 374.A OD2 no hydrogen 3.129 N/A LEU 331.A N MET 327.A O no hydrogen 2.965 N/A LEU 331.A N THR 328.A O no hydrogen 3.256 N/A GLU 332.A N THR 328.A O no hydrogen 3.331 N/A GLN 333.A N ARG 329.A O no hydrogen 3.211 N/A LYS 334.A N TYR 330.A O no hydrogen 3.138 N/A LYS 334.A NZ ASP 374.A OD1 no hydrogen 2.837 N/A LYS 334.A NZ ASP 374.A OD2 no hydrogen 3.406 N/A PHE 335.A N LEU 331.A O no hydrogen 3.236 N/A ASN 336.A N GLU 332.A O no hydrogen 2.788 N/A SER 337.A OG GLN 333.A O no hydrogen 2.712 N/A GLN 340.A N SER 339.A OG no hydrogen 2.527 N/A GLN 343.A N THR 307.A O no hydrogen 3.047 N/A ILE 344.A N ASN 204.A OD1 no hydrogen 2.699 N/A LEU 345.A N MET 309.A O no hydrogen 2.821 N/A GLY 346.A N ALA 205.A O no hydrogen 2.706 N/A LEU 347.A N PHE 311.A O no hydrogen 2.783 N/A THR 348.A N ILE 207.A O no hydrogen 3.155 N/A THR 348.A OG1 HIS 315.A ND1 no hydrogen 2.554 N/A ALA 356.A N VAL 353.A O no hydrogen 2.934 N/A LYS 357.A N GLU 361.A OE1 no hydrogen 2.804 N/A THR 362.A N ASN 358.A O no hydrogen 2.958 N/A THR 362.A OG1 ASN 358.A O no hydrogen 2.931 N/A ILE 363.A N ILE 359.A O no hydrogen 2.984 N/A GLU 364.A N GLU 360.A O no hydrogen 3.237 N/A HIS 365.A N GLU 361.A O no hydrogen 2.936 N/A HIS 365.A NE2 VAL 351.A O no hydrogen 3.060 N/A ILE 366.A N THR 362.A O no hydrogen 2.664 N/A CYS 367.A N ILE 363.A O no hydrogen 2.815 N/A SER 368.A N GLU 364.A O no hydrogen 3.076 N/A LEU 369.A N HIS 365.A O no hydrogen 3.074 N/A CYS 370.A N ILE 366.A O no hydrogen 3.112 N/A CYS 370.A SG ILE 366.A O no hydrogen 3.282 N/A SER 371.A N CYS 367.A O no hydrogen 2.814 N/A SER 371.A OG SER 368.A O no hydrogen 2.312 N/A TYR 372.A N SER 368.A O no hydrogen 3.129 N/A LEU 373.A N LEU 369.A O no hydrogen 3.236 N/A ASP 374.A N SER 371.A O no hydrogen 2.936 N/A ILE 375.A N CYS 370.A O no hydrogen 2.832 N/A GLN 376.A N ASN 204.A O no hydrogen 2.749 N/A ALA 377.A N ASN 204.A O no hydrogen 3.347 N/A SER 379.A N LEU 206.A O no hydrogen 3.029 N/A SER 379.A OG LEU 195.A O no hydrogen 2.603 N/A ARG 382.A N GLU 194.A OE2 no hydrogen 2.564 N/A GLU 383.A N GLU 194.A OE1 no hydrogen 3.344 N/A GLU 383.A N GLU 194.A OE2 no hydrogen 3.007 N/A ASN 384.A N GLU 194.A OE1 no hydrogen 3.019 N/A ASN 384.A ND2 GLU 194.A OE1 no hydrogen 2.906 N/A LEU 388.A N ASN 384.A O no hydrogen 2.918 N/A GLN 389.A N ILE 385.A O no hydrogen 2.864 N/A ARG 390.A N GLN 386.A O no hydrogen 3.095 N/A PHE 391.A N GLU 387.A O no hydrogen 3.062 N/A MET 392.A N LEU 388.A O no hydrogen 3.062 N/A MET 392.A N GLN 389.A O no hydrogen 3.310 N/A ASN 393.A N ASN 393.A OD1 no hydrogen 2.477 N/A LYS 394.A N MET 392.A O no hydrogen 2.772 N/A LYS 394.A NZ GLU 643.A OE1 no hydrogen 3.385 N/A ARG 400.A N LEU 625.A O no hydrogen 2.823 N/A ARG 400.A NE ASP 398.A OD1 no hydrogen 3.211 N/A ARG 400.A NE ASP 398.A OD2 no hydrogen 2.773 N/A ARG 400.A NH2 ASP 398.A OD2 no hydrogen 3.095 N/A LYS 403.A NZ GLU 539.A OE2 no hydrogen 2.338 N/A ASN 408.A ND2 SER 481.A OG no hydrogen 3.202 N/A ASN 408.A ND2 GLU 482.A OE1 no hydrogen 2.863 N/A ALA 411.A N ASN 408.A OD1 no hydrogen 2.966 N/A ALA 412.A N ASN 408.A O no hydrogen 3.330 N/A ILE 413.A N PRO 409.A O no hydrogen 2.938 N/A ILE 414.A N PHE 410.A O no hydrogen 2.943 N/A SER 415.A N ALA 411.A O no hydrogen 2.840 N/A SER 415.A OG ALA 411.A O no hydrogen 2.646 N/A ASN 416.A N ALA 412.A O no hydrogen 3.251 N/A MET 418.A N ILE 414.A O no hydrogen 2.854 N/A SER 419.A N SER 415.A O no hydrogen 2.812 N/A SER 419.A OG SER 415.A O no hydrogen 3.412 N/A GLU 420.A N ASN 416.A O no hydrogen 2.857 N/A THR 421.A N LEU 417.A O no hydrogen 2.783 N/A THR 421.A OG1 LEU 417.A O no hydrogen 3.141 N/A GLU 422.A N MET 418.A O no hydrogen 2.826 N/A ALA 423.A N SER 419.A O no hydrogen 3.076 N/A LEU 424.A N GLU 420.A O no hydrogen 2.726 N/A MET 425.A N THR 421.A O no hydrogen 2.883 N/A ARG 426.A N GLU 422.A O no hydrogen 2.827 N/A ARG 426.A NH1 GLU 422.A OE1 no hydrogen 3.054 N/A THR 427.A N ALA 423.A O no hydrogen 3.264 N/A THR 427.A OG1 ALA 423.A O no hydrogen 3.559 N/A ILE 428.A N MET 425.A O no hydrogen 3.077 N/A THR 432.A N ASN 475.A OD1 no hydrogen 3.092 N/A THR 432.A OG1 ASP 429.A O no hydrogen 2.788 N/A THR 432.A OG1 PHE 430.A O no hydrogen 2.618 N/A TYR 435.A OH GLU 422.A OE2 no hydrogen 2.652 N/A GLU 436.A N THR 432.A O no hydrogen 3.013 N/A HIS 437.A N GLN 433.A O no hydrogen 3.128 N/A TRP 438.A N ASN 434.A O no hydrogen 2.852 N/A ILE 439.A N TYR 435.A O no hydrogen 2.851 N/A VAL 440.A N GLU 436.A O no hydrogen 3.133 N/A VAL 441.A N HIS 437.A O no hydrogen 2.931 N/A THR 442.A N TRP 438.A O no hydrogen 2.853 N/A THR 442.A OG1 TRP 438.A O no hydrogen 2.804 N/A GLN 443.A N ILE 439.A O no hydrogen 2.743 N/A GLN 443.A NE2 THR 468.A OG1 no hydrogen 2.925 N/A GLN 443.A NE2 GLU 469.A OE2 no hydrogen 2.913 N/A ARG 444.A N VAL 440.A O no hydrogen 3.256 N/A LYS 445.A N VAL 441.A O no hydrogen 3.379 N/A CYS 446.A N THR 442.A O no hydrogen 3.320 N/A CYS 446.A SG THR 442.A O no hydrogen 3.534 N/A ARG 447.A N GLN 443.A O no hydrogen 2.971 N/A LEU 448.A N ARG 444.A O no hydrogen 3.366 N/A LEU 449.A N LYS 445.A O no hydrogen 3.166 N/A GLU 457.A N ASP 453.A O no hydrogen 2.617 N/A SER 458.A N LYS 454.A O no hydrogen 2.551 N/A ARG 459.A N GLU 455.A O no hydrogen 3.189 N/A ILE 460.A N GLU 456.A O no hydrogen 3.068 N/A CYS 461.A N GLU 457.A O no hydrogen 3.219 N/A CYS 461.A SG CYS 446.A O no hydrogen 3.877 N/A CYS 461.A SG GLU 457.A O no hydrogen 3.205 N/A ARG 462.A N SER 458.A O no hydrogen 3.090 N/A ALA 463.A N ARG 459.A O no hydrogen 3.104 N/A LEU 464.A N ILE 460.A O no hydrogen 2.967 N/A PHE 465.A N CYS 461.A O no hydrogen 2.828 N/A ILE 466.A N ARG 462.A O no hydrogen 3.164 N/A CYS 467.A N ALA 463.A O no hydrogen 3.007 N/A CYS 467.A SG ALA 463.A O no hydrogen 3.587 N/A THR 468.A N LEU 464.A O no hydrogen 2.956 N/A THR 468.A OG1 LEU 464.A O no hydrogen 2.994 N/A THR 468.A OG1 PHE 465.A O no hydrogen 3.087 N/A GLU 469.A N PHE 465.A O no hydrogen 2.885 N/A HIS 470.A N ILE 466.A O no hydrogen 2.892 N/A LEU 471.A N CYS 467.A O no hydrogen 2.756 N/A ARG 472.A N THR 468.A O no hydrogen 2.881 N/A ARG 472.A NE GLU 436.A OE1 no hydrogen 3.458 N/A ARG 472.A NH1 GLN 443.A OE1 no hydrogen 3.390 N/A LYS 473.A N GLU 469.A O no hydrogen 3.086 N/A LYS 473.A NZ GLU 115.A OE1 no hydrogen 2.685 N/A LYS 473.A NZ GLU 115.A OE2 no hydrogen 3.412 N/A LYS 473.A NZ TYR 492.A OH no hydrogen 3.029 N/A TYR 474.A N HIS 470.A O no hydrogen 2.874 N/A ASN 475.A N LEU 471.A O no hydrogen 2.688 N/A ASN 475.A ND2 THR 432.A O no hydrogen 3.678 N/A ASP 476.A N ARG 472.A O no hydrogen 2.840 N/A ALA 477.A N LYS 473.A O no hydrogen 2.819 N/A LEU 478.A N TYR 474.A O no hydrogen 2.894 N/A ILE 479.A N ASN 475.A O no hydrogen 3.341 N/A ILE 480.A N ASP 476.A O no hydrogen 3.059 N/A SER 481.A N ALA 477.A O no hydrogen 2.953 N/A SER 481.A OG ASN 408.A OD1 no hydrogen 3.454 N/A SER 481.A OG LEU 478.A O no hydrogen 2.692 N/A GLU 482.A N ILE 479.A O no hydrogen 2.800 N/A ASP 483.A N ILE 479.A O no hydrogen 3.131 N/A ALA 484.A N ILE 480.A O no hydrogen 2.841 N/A ARG 485.A NH2 ASP 488.A OD1 no hydrogen 3.254 N/A ARG 485.A NH2 GLU 575.A OE2 no hydrogen 2.705 N/A ILE 486.A N ASN 532.A OD1 no hydrogen 2.680 N/A ILE 487.A N ASN 532.A OD1 no hydrogen 3.329 N/A ALA 489.A N ARG 485.A O no hydrogen 3.393 N/A LEU 490.A N ILE 486.A O no hydrogen 2.932 N/A SER 491.A N ILE 487.A O no hydrogen 2.860 N/A TYR 492.A N ASP 488.A O no hydrogen 3.172 N/A LEU 493.A N ALA 489.A O no hydrogen 3.350 N/A THR 494.A N LEU 490.A O no hydrogen 2.850 N/A THR 494.A OG1 LEU 490.A O no hydrogen 3.339 N/A GLU 495.A N SER 491.A O no hydrogen 2.778 N/A PHE 496.A N TYR 492.A O no hydrogen 3.422 N/A PHE 497.A N LEU 493.A O no hydrogen 2.954 N/A THR 498.A N THR 494.A O no hydrogen 2.951 N/A THR 498.A OG1 THR 494.A O no hydrogen 2.898 N/A ASN 499.A N GLU 495.A O no hydrogen 3.235 N/A ASN 499.A ND2 GLU 495.A O no hydrogen 2.991 N/A VAL 500.A N PHE 496.A O no hydrogen 2.840 N/A LYS 501.A N PHE 497.A O no hydrogen 2.926 N/A GLY 503.A N ASN 499.A O no hydrogen 2.920 N/A THR 506.A OG1 GLU 509.A OE2 no hydrogen 3.265 N/A GLN 510.A N THR 506.A O no hydrogen 2.845 N/A HIS 511.A N GLU 507.A O no hydrogen 3.373 N/A LEU 512.A N LEU 508.A O no hydrogen 3.054 N/A THR 513.A N GLU 509.A O no hydrogen 2.976 N/A THR 513.A OG1 GLU 509.A O no hydrogen 2.765 N/A ALA 514.A N GLN 510.A O no hydrogen 2.700 N/A LYS 515.A N HIS 511.A O no hydrogen 2.746 N/A PHE 516.A N LEU 512.A O no hydrogen 2.849 N/A GLN 517.A N THR 513.A O no hydrogen 3.105 N/A GLU 518.A N ALA 514.A O no hydrogen 2.992 N/A LYS 519.A N PHE 516.A O no hydrogen 2.810 N/A GLU 520.A N GLN 517.A O no hydrogen 3.309 N/A GLU 522.A N LYS 519.A O no hydrogen 3.014 N/A LEU 523.A N LYS 519.A O no hydrogen 3.483 N/A ILE 524.A N GLU 520.A O no hydrogen 2.968 N/A ALA 525.A N PRO 521.A O no hydrogen 3.349 N/A LEU 526.A N GLU 522.A O no hydrogen 2.908 N/A SER 527.A N LEU 523.A O no hydrogen 3.044 N/A SER 527.A OG LEU 523.A O no hydrogen 2.807 N/A SER 527.A OG ILE 524.A O no hydrogen 2.681 N/A LYS 528.A N ILE 524.A O no hydrogen 3.221 N/A ASP 529.A N LEU 526.A O no hydrogen 3.208 N/A ASN 532.A N ASP 529.A O no hydrogen 3.098 N/A ASN 532.A ND2 ASP 529.A O no hydrogen 3.192 N/A ASN 534.A ND2 GLU 482.A O no hydrogen 3.113 N/A ASN 534.A ND2 ALA 484.A O no hydrogen 2.481 N/A LYS 536.A NZ GLU 482.A O no hydrogen 3.205 N/A LYS 536.A NZ ASP 483.A OD1 no hydrogen 3.103 N/A LYS 536.A NZ GLU 608.A OE2 no hydrogen 3.320 N/A LYS 536.A NZ SER 628.A OG no hydrogen 3.374 N/A LEU 537.A N ASN 534.A O no hydrogen 2.575 N/A GLU 538.A N ASN 534.A O no hydrogen 3.190 N/A GLU 539.A N PRO 535.A O no hydrogen 2.694 N/A LEU 540.A N LYS 536.A O no hydrogen 3.150 N/A VAL 541.A N LEU 537.A O no hydrogen 2.942 N/A CYS 542.A N GLU 538.A O no hydrogen 3.121 N/A CYS 542.A SG GLU 538.A O no hydrogen 3.301 N/A ILE 543.A N GLU 539.A O no hydrogen 2.838 N/A LEU 544.A N LEU 540.A O no hydrogen 2.900 N/A ASP 545.A N VAL 541.A O no hydrogen 2.950 N/A ASP 546.A N CYS 542.A O no hydrogen 3.208 N/A ALA 547.A N ILE 543.A O no hydrogen 2.999 N/A TYR 548.A N ASP 545.A O no hydrogen 3.472 N/A TYR 548.A OH ARG 590.A O no hydrogen 2.621 N/A THR 554.A N ASN 551.A O no hydrogen 3.326 N/A THR 554.A OG1 ALA 547.A O no hydrogen 3.289 N/A THR 554.A OG1 ASN 551.A O no hydrogen 2.907 N/A ARG 555.A N ASN 602.A OD1 no hydrogen 3.050 N/A THR 556.A N ARG 590.A O no hydrogen 2.865 N/A THR 556.A OG1 TYR 548.A OH no hydrogen 3.327 N/A LEU 557.A N LEU 603.A O no hydrogen 3.057 N/A LEU 558.A N LEU 592.A O no hydrogen 3.049 N/A PHE 559.A N VAL 605.A O no hydrogen 2.792 N/A ALA 560.A N ALA 594.A O no hydrogen 3.095 N/A LYS 561.A NZ ASP 483.A OD1 no hydrogen 3.236 N/A LYS 561.A NZ ASP 483.A OD2 no hydrogen 2.606 N/A ARG 563.A NH2 GLY 177.A O no hydrogen 3.484 N/A LEU 565.A N THR 562.A OG1 no hydrogen 3.077 N/A VAL 566.A N ARG 563.A O no hydrogen 2.562 N/A SER 567.A N ARG 563.A O no hydrogen 3.362 N/A ALA 568.A N ALA 564.A O no hydrogen 2.996 N/A LEU 569.A N LEU 565.A O no hydrogen 2.713 N/A LYS 570.A N VAL 566.A O no hydrogen 2.889 N/A LYS 570.A NZ PRO 584.A O no hydrogen 2.832 N/A LYS 571.A N SER 567.A O no hydrogen 3.448 N/A LYS 571.A NZ ASP 488.A OD1 no hydrogen 3.243 N/A CYS 572.A N ALA 568.A O no hydrogen 3.116 N/A CYS 572.A SG ASP 488.A OD2 no hydrogen 2.811 N/A CYS 572.A SG ALA 568.A O no hydrogen 3.358 N/A MET 573.A N LEU 569.A O no hydrogen 2.976 N/A GLU 574.A N LYS 570.A O no hydrogen 3.075 N/A GLU 575.A N LYS 571.A O no hydrogen 2.860 N/A ASN 576.A N MET 573.A O no hydrogen 3.353 N/A ILE 578.A N ASN 576.A OD1 no hydrogen 3.059 N/A TYR 581.A OH ASP 545.A OD1 no hydrogen 2.596 N/A LEU 587.A N ILE 593.A O no hydrogen 3.093 N/A ASN 589.A ND2 ASP 588.A OD2 no hydrogen 2.606 N/A LEU 592.A N THR 556.A O no hydrogen 2.979 N/A ILE 593.A N GLY 585.A O no hydrogen 3.134 N/A ALA 594.A N LEU 558.A O no hydrogen 3.109 N/A THR 595.A OG1 ALA 560.A O no hydrogen 3.439 N/A SER 596.A N ALA 560.A O no hydrogen 3.308 N/A VAL 597.A N THR 595.A O no hydrogen 2.735 N/A CYS 601.A SG ARG 555.A O no hydrogen 3.889 N/A CYS 601.A SG LEU 603.A O no hydrogen 3.705 N/A VAL 604.A N LYS 622.A O no hydrogen 2.795 N/A VAL 605.A N LEU 557.A O no hydrogen 2.845 N/A LEU 606.A N ILE 624.A O no hydrogen 2.939 N/A TYR 607.A N PHE 559.A O no hydrogen 2.974 N/A TYR 607.A OH ASP 483.A O no hydrogen 2.753 N/A GLU 608.A N VAL 626.A O no hydrogen 2.608 N/A ILE 617.A N VAL 613.A O no hydrogen 2.864 N/A GLN 618.A NE2 THR 614.A O no hydrogen 2.418 N/A SER 621.A OG GLY 620.A O no hydrogen 2.610 N/A CYS 623.A SG VAL 604.A O no hydrogen 3.746 N/A CYS 623.A SG ILE 624.A O no hydrogen 3.745 N/A ILE 624.A N VAL 604.A O no hydrogen 2.863 N/A LEU 625.A N ASP 398.A O no hydrogen 3.020 N/A VAL 626.A N LEU 606.A O no hydrogen 2.812 N/A THR 627.A N ARG 400.A O no hydrogen 3.187 N/A SER 628.A N GLU 608.A OE1 no hydrogen 3.184 N/A SER 628.A N GLU 608.A OE2 no hydrogen 2.909 N/A SER 628.A OG GLU 608.A OE2 no hydrogen 1.976 N/A VAL 632.A N LYS 629.A O no hydrogen 3.274 N/A GLU 634.A N THR 630.A O no hydrogen 2.780 N/A ASN 635.A N GLU 631.A O no hydrogen 2.950 N/A GLU 636.A N VAL 632.A O no hydrogen 2.983 N/A ASN 639.A N ASN 635.A O no hydrogen 3.099 N/A TYR 641.A N LYS 637.A O no hydrogen 3.337 N/A LYS 642.A N CYS 638.A O no hydrogen 3.276 N/A GLU 643.A N ASN 639.A O no hydrogen 2.781 N/A GLU 644.A N ARG 640.A O no hydrogen 2.906 N/A MET 645.A N TYR 641.A O no hydrogen 2.855 N/A MET 646.A N LYS 642.A O no hydrogen 3.022 N/A ASN 647.A N GLU 643.A O no hydrogen 3.041 N/A LYS 648.A N GLU 644.A O no hydrogen 3.344 N/A LYS 648.A NZ GLU 644.A OE2 no hydrogen 2.911 N/A ALA 649.A N MET 645.A O no hydrogen 2.981 N/A VAL 650.A N MET 646.A O no hydrogen 2.832 N/A GLU 651.A N ASN 647.A O no hydrogen 2.910 N/A LYS 652.A N LYS 648.A O no hydrogen 3.072 N/A ILE 653.A N ALA 649.A O no hydrogen 2.801 N/A GLN 654.A N VAL 650.A O no hydrogen 2.813 N/A GLN 654.A NE2 ILE 378.A O no hydrogen 2.798 N/A GLN 654.A NE2 THR 380.A OG1 no hydrogen 2.691 N/A LYS 655.A N GLU 651.A O no hydrogen 3.059 N/A LYS 655.A N LYS 652.A O no hydrogen 3.234 N/A LYS 655.A NZ GLU 651.A OE2 no hydrogen 2.745 N/A TRP 656.A N ILE 653.A O no hydrogen 3.082 N/A THR 660.A OG1 ASP 657.A OD1 no hydrogen 3.055 N/A PHE 661.A N ASP 657.A O no hydrogen 3.307 N/A ALA 662.A N GLU 658.A O no hydrogen 2.726 N/A LYS 663.A N GLU 659.A O no hydrogen 2.921 N/A LYS 664.A N THR 660.A O no hydrogen 2.728 N/A LYS 664.A NZ GLU 364.A OE1 no hydrogen 3.209 N/A ILE 665.A N PHE 661.A O no hydrogen 3.108 N/A HIS 666.A N ALA 662.A O no hydrogen 3.169 N/A ASN 667.A N LYS 663.A O no hydrogen 2.928 N/A LEU 668.A N LYS 664.A O no hydrogen 3.278 N/A GLN 669.A N ILE 665.A O no hydrogen 3.141 N/A GLN 669.A NE2 SER 371.A O no hydrogen 3.143 N/A GLN 669.A NE2 ASP 374.A OD1 no hydrogen 3.098 N/A MET 670.A N HIS 666.A O no hydrogen 3.205 N/A LYS 671.A N ASN 667.A O no hydrogen 2.865 N/A ARG 673.A N GLN 669.A O no hydrogen 3.427 N/A ARG 673.A NH2 LEU 331.A O no hydrogen 2.696 N/A VAL 674.A N MET 670.A O no hydrogen 3.062 N/A LEU 675.A N LYS 671.A O no hydrogen 3.054 N/A LEU 675.A N GLU 672.A O no hydrogen 3.230 N/A ARG 676.A N ARG 673.A O no hydrogen 3.154 N/A ASP 677.A N ARG 673.A O no hydrogen 3.158 N/A SER 678.A OG VAL 674.A O no hydrogen 3.229 N/A