Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9bne_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N PHE 27.A O no hydrogen 2.974 N/A TRP 7.A NE1 GLN 16.A OE1 no hydrogen 2.740 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 2.523 N/A LEU 14.A N ARG 10.A O no hydrogen 2.927 N/A GLY 15.A N GLN 11.A O no hydrogen 3.198 N/A GLN 16.A N MET 13.A O no hydrogen 2.927 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.697 N/A VAL 20.A N VAL 17.A O no hydrogen 3.298 N/A GLY 23.A N ARG 37.A O no hydrogen 2.363 N/A TRP 24.A N PRO 21.A O no hydrogen 3.443 N/A ILE 26.A N TYR 35.A O no hydrogen 2.341 N/A ALA 29.A N TRP 7.A O no hydrogen 2.452 N/A GLU 32.A N VAL 28.A O no hydrogen 2.972 N/A TYR 35.A N ILE 26.A O no hydrogen 2.821 N/A VAL 36.A N ARG 43.A O no hydrogen 2.726 N/A ARG 37.A N TRP 24.A O no hydrogen 2.953 N/A ARG 37.A NE VAL 17.A O no hydrogen 2.631 N/A ARG 37.A NH2 VAL 17.A O no hydrogen 2.976 N/A VAL 38.A N GLY 41.A O no hydrogen 3.020 N/A GLN 39.A N GLN 39.A OE1 no hydrogen 2.667 N/A ARG 43.A N VAL 36.A O no hydrogen 2.906 N/A THR 51.A OG1 ALA 49.A O no hydrogen 3.538 N/A THR 53.A N SER 52.A OG no hydrogen 2.549 N/A GLN 57.A N THR 53.A O no hydrogen 3.447 N/A ALA 58.A N ILE 54.A O no hydrogen 2.583 N/A LYS 59.A N GLU 55.A O no hydrogen 2.686 N/A THR 60.A N GLU 56.A O no hydrogen 3.092 N/A THR 60.A OG1 GLU 56.A O no hydrogen 3.261 N/A THR 60.A OG1 GLN 57.A O no hydrogen 2.590 N/A PHE 61.A N GLN 57.A O no hydrogen 2.759 N/A LEU 62.A N ALA 58.A O no hydrogen 3.008 N/A ASP 63.A N LYS 59.A O no hydrogen 3.192 N/A LYS 64.A N THR 60.A O no hydrogen 3.170 N/A PHE 65.A N PHE 61.A O no hydrogen 3.114 N/A ASN 66.A N LEU 62.A O no hydrogen 2.785 N/A HIS 67.A N ASP 63.A O no hydrogen 3.271 N/A GLU 68.A N LYS 64.A O no hydrogen 3.518 N/A ALA 69.A N PHE 65.A O no hydrogen 2.705 N/A GLU 70.A N ASN 66.A O no hydrogen 2.789 N/A ASP 71.A N HIS 67.A O no hydrogen 3.191 N/A LEU 72.A N GLU 68.A O no hydrogen 2.962 N/A PHE 73.A N ALA 69.A O no hydrogen 2.894 N/A TYR 74.A N GLU 70.A O no hydrogen 3.095 N/A GLN 75.A N ASP 71.A O no hydrogen 3.157 N/A SER 76.A N LEU 72.A O no hydrogen 2.841 N/A SER 77.A N PHE 73.A O no hydrogen 2.790 N/A SER 77.A OG PHE 73.A O no hydrogen 2.814 N/A LEU 78.A N TYR 74.A O no hydrogen 2.834 N/A ALA 79.A N GLN 75.A O no hydrogen 2.797 N/A SER 80.A N SER 76.A O no hydrogen 3.006 N/A TRP 81.A N SER 77.A O no hydrogen 2.893 N/A ASN 82.A N LEU 78.A O no hydrogen 3.046 N/A TYR 83.A N ALA 79.A O no hydrogen 3.267 N/A ASN 84.A N SER 80.A O no hydrogen 3.003 N/A ASN 84.A ND2 SER 80.A O no hydrogen 2.337 N/A ASN 84.A ND2 SER 80.A OG no hydrogen 3.257 N/A THR 85.A N TRP 81.A O no hydrogen 2.955 N/A THR 85.A OG1 TRP 81.A O no hydrogen 2.955 N/A THR 85.A OG1 ASN 82.A O no hydrogen 3.506 N/A ASN 86.A N ASN 82.A O no hydrogen 2.760 N/A ILE 87.A N LYS 374.A O no hydrogen 2.912 N/A THR 88.A OG1 GLU 90.A OE2 no hydrogen 2.351 N/A VAL 92.A N THR 88.A O no hydrogen 2.835 N/A GLN 93.A N GLU 89.A O no hydrogen 2.904 N/A GLN 93.A NE2 GLU 89.A OE2 no hydrogen 2.421 N/A ASN 94.A N GLU 90.A O no hydrogen 2.930 N/A MET 95.A N ASN 91.A O no hydrogen 3.002 N/A ASN 96.A N VAL 92.A O no hydrogen 2.913 N/A ASN 97.A N GLN 93.A O no hydrogen 2.787 N/A ALA 98.A N ASN 94.A O no hydrogen 2.974 N/A GLY 99.A N MET 95.A O no hydrogen 3.182 N/A ASP 100.A N ASN 96.A O no hydrogen 2.810 N/A LYS 101.A N ASN 97.A O no hydrogen 3.063 N/A TRP 102.A N ALA 98.A O no hydrogen 2.867 N/A SER 103.A N GLY 99.A O no hydrogen 2.661 N/A SER 103.A OG GLY 99.A O no hydrogen 2.718 N/A ALA 104.A N ASP 100.A O no hydrogen 2.767 N/A PHE 105.A N LYS 101.A O no hydrogen 2.702 N/A LEU 106.A N TRP 102.A O no hydrogen 2.841 N/A LYS 107.A N SER 103.A O no hydrogen 3.244 N/A LYS 107.A NZ ALA 104.A O no hydrogen 3.523 N/A GLU 108.A N ALA 104.A O no hydrogen 3.228 N/A GLN 109.A N PHE 105.A O no hydrogen 3.167 N/A SER 110.A N LEU 106.A O no hydrogen 2.913 N/A SER 110.A OG LEU 133.A O no hydrogen 2.242 N/A THR 111.A N LYS 107.A O no hydrogen 2.877 N/A THR 111.A OG1 LYS 107.A O no hydrogen 2.838 N/A LEU 112.A N GLU 108.A O no hydrogen 3.052 N/A ALA 113.A N GLN 109.A O no hydrogen 2.789 N/A GLN 114.A N SER 110.A O no hydrogen 3.167 N/A GLN 114.A N THR 111.A O no hydrogen 3.108 N/A MET 115.A N LEU 112.A O no hydrogen 3.237 N/A TYR 116.A N ALA 113.A O no hydrogen 2.976 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.677 N/A ASN 123.A N GLU 55.A OE2 no hydrogen 2.390 N/A THR 125.A N ASN 123.A OD1 no hydrogen 2.859 N/A LYS 127.A N ASN 123.A O no hydrogen 3.068 N/A LEU 128.A N LEU 124.A O no hydrogen 2.753 N/A GLN 129.A N THR 125.A O no hydrogen 3.017 N/A LEU 130.A N VAL 126.A O no hydrogen 3.254 N/A GLN 131.A N LYS 127.A O no hydrogen 2.829 N/A ALA 132.A N LEU 128.A O no hydrogen 2.968 N/A LEU 133.A N GLN 129.A O no hydrogen 3.010 N/A GLN 134.A N LEU 130.A O no hydrogen 2.399 N/A GLN 134.A NE2 ALA 113.A O no hydrogen 2.276 N/A GLN 134.A NE2 TYR 116.A O no hydrogen 2.269 N/A GLN 135.A NE2 TYR 235.A OH no hydrogen 3.083 N/A SER 139.A N ASN 136.A O no hydrogen 3.243 N/A SER 139.A OG ASN 136.A O no hydrogen 2.430 N/A VAL 140.A N GLY 137.A O no hydrogen 3.227 N/A LEU 141.A N SER 138.A O no hydrogen 3.295 N/A SER 142.A OG ASP 144.A OD1 no hydrogen 2.293 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.712 N/A SER 146.A N SER 142.A O no hydrogen 3.470 N/A LYS 147.A N GLU 143.A O no hydrogen 3.143 N/A ARG 148.A N ASP 144.A O no hydrogen 2.906 N/A LEU 149.A N LYS 145.A O no hydrogen 2.963 N/A ASN 150.A N SER 146.A O no hydrogen 2.931 N/A THR 151.A N LYS 147.A O no hydrogen 2.717 N/A THR 151.A OG1 LYS 147.A O no hydrogen 2.579 N/A ILE 152.A N ARG 148.A O no hydrogen 2.872 N/A LEU 153.A N LEU 149.A O no hydrogen 2.993 N/A ASN 154.A N ASN 150.A O no hydrogen 2.584 N/A THR 155.A N THR 151.A O no hydrogen 2.823 N/A THR 155.A OG1 THR 151.A O no hydrogen 2.640 N/A MET 156.A N ILE 152.A O no hydrogen 2.503 N/A SER 157.A N LEU 153.A O no hydrogen 2.650 N/A THR 158.A N ASN 154.A O no hydrogen 2.874 N/A THR 158.A OG1 ASN 154.A O no hydrogen 2.892 N/A THR 158.A OG1 THR 155.A O no hydrogen 2.948 N/A ILE 159.A N THR 155.A O no hydrogen 2.830 N/A TYR 160.A N MET 156.A O no hydrogen 3.002 N/A SER 161.A N SER 157.A O no hydrogen 3.046 N/A SER 161.A OG SER 157.A O no hydrogen 3.019 N/A SER 161.A OG THR 158.A O no hydrogen 2.527 N/A THR 162.A N THR 158.A O no hydrogen 2.619 N/A LYS 164.A NZ CYS 174.A O no hydrogen 3.190 N/A VAL 165.A N LEU 175.A O no hydrogen 3.155 N/A ASN 167.A N GLU 173.A O no hydrogen 2.768 N/A ASN 167.A ND2 ASP 169.A OD2 no hydrogen 3.049 N/A GLU 173.A N ASN 170.A O no hydrogen 2.930 N/A CYS 174.A SG PRO 171.A O no hydrogen 3.191 N/A CYS 174.A SG GLN 172.A O no hydrogen 3.440 N/A LEU 175.A N VAL 165.A O no hydrogen 2.906 N/A LEU 181.A N LEU 176.A O no hydrogen 2.786 N/A ASN 182.A N LEU 177.A O no hydrogen 3.013 N/A GLU 183.A N PRO 179.A O no hydrogen 3.108 N/A ILE 184.A N GLY 180.A O no hydrogen 3.230 N/A MET 185.A N LEU 181.A O no hydrogen 3.396 N/A ALA 186.A N GLU 183.A O no hydrogen 3.379 N/A ASN 187.A N GLU 183.A O no hydrogen 2.817 N/A SER 188.A N GLU 183.A O no hydrogen 3.345 N/A SER 188.A OG GLU 193.A OE1 no hydrogen 2.353 N/A ARG 194.A N ASP 190.A O no hydrogen 3.031 N/A ARG 194.A NE HIS 298.A O no hydrogen 2.977 N/A ARG 194.A NH1 SER 188.A O no hydrogen 2.665 N/A ARG 194.A NH2 HIS 298.A O no hydrogen 2.475 N/A LEU 195.A N TYR 191.A O no hydrogen 2.660 N/A TRP 196.A N ASN 192.A O no hydrogen 2.799 N/A ALA 197.A N GLU 193.A O no hydrogen 3.224 N/A TRP 198.A N ARG 194.A O no hydrogen 2.825 N/A GLU 199.A N LEU 195.A O no hydrogen 2.841 N/A SER 200.A N TRP 196.A O no hydrogen 2.730 N/A SER 200.A OG TRP 196.A O no hydrogen 2.716 N/A SER 200.A OG ALA 197.A O no hydrogen 3.131 N/A TRP 201.A N ALA 197.A O no hydrogen 3.249 N/A ARG 202.A N TRP 198.A O no hydrogen 3.481 N/A SER 203.A N GLU 199.A O no hydrogen 2.810 N/A SER 203.A OG GLU 199.A O no hydrogen 2.894 N/A SER 203.A OG SER 200.A O no hydrogen 2.619 N/A GLU 204.A N SER 200.A O no hydrogen 2.786 N/A VAL 205.A N TRP 201.A O no hydrogen 2.651 N/A GLY 206.A N ARG 202.A O no hydrogen 2.883 N/A LYS 207.A N SER 203.A O no hydrogen 3.186 N/A GLN 208.A N VAL 205.A O no hydrogen 3.228 N/A GLN 208.A NE2 GLU 204.A OE2 no hydrogen 2.673 N/A LEU 209.A N VAL 205.A O no hydrogen 2.838 N/A ARG 210.A N GLY 206.A O no hydrogen 3.096 N/A ARG 210.A NH1 GLU 528.A OE1 no hydrogen 2.965 N/A ARG 210.A NH1 TYR 530.A O no hydrogen 2.973 N/A ARG 210.A NH2 GLU 528.A OE1 no hydrogen 2.348 N/A TYR 213.A N LEU 209.A O no hydrogen 2.771 N/A GLU 214.A N ARG 210.A O no hydrogen 3.069 N/A GLU 215.A N PRO 211.A O no hydrogen 3.371 N/A TYR 216.A N LEU 212.A O no hydrogen 2.754 N/A TYR 216.A OH ASP 542.A OD1 no hydrogen 2.282 N/A VAL 217.A N TYR 213.A O no hydrogen 2.900 N/A VAL 218.A N GLU 214.A O no hydrogen 3.244 N/A LEU 219.A N GLU 215.A O no hydrogen 2.799 N/A LYS 220.A N TYR 216.A O no hydrogen 2.866 N/A LYS 220.A NZ ASP 542.A OD2 no hydrogen 3.319 N/A ASN 221.A N VAL 217.A O no hydrogen 2.840 N/A GLU 222.A N VAL 218.A O no hydrogen 2.868 N/A MET 223.A N LEU 219.A O no hydrogen 3.374 N/A ALA 224.A N LYS 220.A O no hydrogen 3.327 N/A ARG 225.A N ASN 221.A O no hydrogen 2.680 N/A ALA 226.A N GLU 222.A O no hydrogen 2.860 N/A ASN 227.A N MET 223.A O no hydrogen 2.627 N/A ASN 227.A ND2 ASN 136.A OD1 no hydrogen 2.359 N/A HIS 228.A N ARG 225.A O no hydrogen 3.248 N/A TYR 232.A N ASN 221.A OD1 no hydrogen 2.939 N/A TYR 232.A OH ASP 542.A OD2 no hydrogen 2.543 N/A ASP 234.A N ASP 231.A OD1 no hydrogen 2.717 N/A TYR 235.A N ASP 231.A O no hydrogen 2.952 N/A TRP 236.A N TYR 232.A O no hydrogen 2.879 N/A ARG 237.A N GLY 233.A O no hydrogen 2.697 N/A ARG 237.A NE ASP 234.A OD1 no hydrogen 2.726 N/A ARG 237.A NH2 ASP 231.A OD2 no hydrogen 3.493 N/A ARG 237.A NH2 ASP 234.A OD1 no hydrogen 3.202 N/A GLY 238.A N TYR 235.A O no hydrogen 3.428 N/A ASP 239.A N TRP 236.A O no hydrogen 3.208 N/A TYR 240.A OH THR 550.A OG1 no hydrogen 2.498 N/A GLU 241.A N GLY 238.A O no hydrogen 3.286 N/A VAL 242.A N TYR 250.A O no hydrogen 2.616 N/A ASN 243.A ND2 GLU 241.A OE2 no hydrogen 3.440 N/A VAL 245.A N ASP 249.A OD1 no hydrogen 3.063 N/A TYR 248.A N VAL 245.A O no hydrogen 3.488 N/A TYR 248.A OH GLU 604.A OE1 no hydrogen 3.089 N/A TYR 250.A N VAL 242.A O no hydrogen 3.032 N/A TYR 250.A OH ASP 258.A OD2 no hydrogen 2.253 N/A ARG 252.A NE ASP 234.A OD2 no hydrogen 2.310 N/A ARG 252.A NH1 GLU 241.A OE1 no hydrogen 2.928 N/A GLN 254.A N SER 251.A O no hydrogen 3.139 N/A GLN 254.A N SER 251.A OG no hydrogen 3.238 N/A GLN 254.A NE2 ASP 258.A OD1 no hydrogen 3.434 N/A LEU 255.A N ARG 252.A O no hydrogen 3.124 N/A ILE 256.A N GLY 253.A O no hydrogen 3.239 N/A ASP 258.A N GLN 254.A O no hydrogen 3.029 N/A VAL 259.A N LEU 255.A O no hydrogen 3.155 N/A GLU 260.A N ILE 256.A O no hydrogen 3.031 N/A HIS 261.A N GLU 257.A O no hydrogen 2.622 N/A THR 262.A N ASP 258.A O no hydrogen 2.908 N/A THR 262.A OG1 ASP 258.A O no hydrogen 2.603 N/A THR 262.A OG1 VAL 259.A O no hydrogen 2.810 N/A THR 262.A OG1 TYR 549.A OH no hydrogen 3.074 N/A PHE 263.A N VAL 259.A O no hydrogen 3.110 N/A GLU 264.A N GLU 260.A O no hydrogen 3.011 N/A ILE 266.A N THR 262.A O no hydrogen 3.301 N/A LYS 267.A N PHE 263.A O no hydrogen 2.991 N/A LYS 267.A N GLU 264.A O no hydrogen 3.274 N/A TYR 270.A N ILE 266.A O no hydrogen 2.648 N/A TYR 270.A OH VAL 518.A O no hydrogen 2.205 N/A GLU 271.A N LYS 267.A O no hydrogen 2.455 N/A HIS 272.A ND1 PRO 268.A O no hydrogen 2.491 N/A LEU 273.A N LEU 269.A O no hydrogen 3.093 N/A HIS 274.A N TYR 270.A O no hydrogen 2.417 N/A HIS 274.A NE2 GLY 519.A O no hydrogen 2.444 N/A ALA 275.A N GLU 271.A O no hydrogen 2.717 N/A TYR 276.A N HIS 272.A O no hydrogen 2.932 N/A TYR 276.A OH VAL 316.A O no hydrogen 3.058 N/A VAL 277.A N LEU 273.A O no hydrogen 3.094 N/A ARG 278.A N HIS 274.A O no hydrogen 2.775 N/A ALA 279.A N ALA 275.A O no hydrogen 2.591 N/A LYS 280.A N TYR 276.A O no hydrogen 2.737 N/A LEU 281.A N VAL 277.A O no hydrogen 2.743 N/A MET 282.A N ARG 278.A O no hydrogen 3.229 N/A ASN 283.A N LYS 280.A O no hydrogen 3.027 N/A ALA 284.A N LEU 281.A O no hydrogen 3.154 N/A TYR 285.A N LEU 281.A O no hydrogen 2.526 N/A TYR 285.A OH LEU 189.A O no hydrogen 3.066 N/A TYR 288.A N TYR 285.A O no hydrogen 3.249 N/A ILE 289.A N TYR 285.A O no hydrogen 3.405 N/A ILE 292.A N SER 290.A OG no hydrogen 3.302 N/A CYS 294.A SG ARG 515.A O no hydrogen 3.118 N/A CYS 294.A SG SER 640.A O no hydrogen 3.141 N/A LEU 295.A N GLY 519.A O no hydrogen 2.748 N/A PHE 307.A N ASP 302.A OD2 no hydrogen 2.699 N/A TRP 308.A N LEU 477.A O no hydrogen 3.208 N/A THR 309.A OG1 THR 478.A OG1 no hydrogen 2.577 N/A LEU 311.A N TRP 308.A O no hydrogen 2.921 N/A TYR 312.A N THR 309.A O no hydrogen 3.163 N/A SER 313.A N ASN 310.A O no hydrogen 3.416 N/A SER 313.A OG ASN 310.A O no hydrogen 2.648 N/A THR 315.A N LEU 311.A O no hydrogen 2.510 N/A THR 315.A OG1 LEU 311.A O no hydrogen 2.754 N/A THR 327.A N ASP 325.A OD1 no hydrogen 2.919 N/A THR 327.A OG1 ASP 325.A OD1 no hydrogen 2.467 N/A THR 327.A OG1 ASP 325.A OD2 no hydrogen 3.313 N/A MET 330.A N VAL 326.A O no hydrogen 2.760 N/A VAL 331.A N THR 327.A O no hydrogen 3.334 N/A ASP 332.A N ASP 328.A O no hydrogen 2.656 N/A GLN 333.A N ALA 329.A O no hydrogen 3.251 N/A ALA 334.A N VAL 331.A O no hydrogen 3.172 N/A TRP 335.A N MET 330.A O no hydrogen 3.205 N/A ALA 337.A N ASP 336.A OD1 no hydrogen 2.380 N/A ARG 339.A NH1 ARG 339.A O no hydrogen 3.196 N/A ILE 340.A N ASP 336.A O no hydrogen 2.762 N/A PHE 341.A N ALA 337.A O no hydrogen 2.683 N/A LYS 342.A N GLN 338.A O no hydrogen 2.876 N/A LYS 342.A NZ GLU 345.A OE1 no hydrogen 3.007 N/A GLU 343.A N ARG 339.A O no hydrogen 2.763 N/A ALA 344.A N ILE 340.A O no hydrogen 2.817 N/A GLU 345.A N PHE 341.A O no hydrogen 2.693 N/A LYS 346.A N LYS 342.A O no hydrogen 2.594 N/A LYS 346.A NZ GLU 343.A OE1 no hydrogen 3.536 N/A LYS 346.A NZ GLU 343.A OE2 no hydrogen 2.738 N/A PHE 347.A N GLU 343.A O no hydrogen 2.616 N/A PHE 348.A N ALA 344.A O no hydrogen 3.238 N/A VAL 349.A N GLU 345.A O no hydrogen 3.234 N/A SER 350.A N LYS 346.A O no hydrogen 2.915 N/A SER 350.A OG LYS 346.A O no hydrogen 3.228 N/A SER 350.A OG PHE 347.A O no hydrogen 2.429 N/A VAL 351.A N PHE 347.A O no hydrogen 3.042 N/A GLN 358.A N GLN 358.A OE1 no hydrogen 2.630 N/A PHE 360.A N THR 357.A O no hydrogen 3.369 N/A GLU 362.A N GLN 358.A O no hydrogen 3.233 N/A ASN 363.A N PHE 360.A O no hydrogen 3.243 N/A SER 364.A N TRP 361.A O no hydrogen 3.463 N/A SER 364.A OG PHE 360.A O no hydrogen 2.372 N/A SER 364.A OG PHE 389.A O no hydrogen 3.566 N/A GLY 370.A N ASP 368.A O no hydrogen 2.714 N/A VAL 376.A N ASN 84.A O no hydrogen 2.725 N/A CYS 377.A SG ALA 375.A O no hydrogen 3.511 N/A THR 380.A N LEU 392.A O no hydrogen 3.303 N/A THR 380.A OG1 HIS 378.A O no hydrogen 2.973 N/A LEU 384.A N ASP 388.A O no hydrogen 3.158 N/A ASP 388.A N GLY 385.A O no hydrogen 3.175 N/A ARG 390.A N TRP 382.A O no hydrogen 3.197 N/A LEU 392.A N THR 380.A O no hydrogen 3.380 N/A MET 393.A N MET 365.A O no hydrogen 3.455 N/A CYS 394.A SG ASP 368.A OD2 no hydrogen 3.780 N/A CYS 394.A SG ALA 375.A O no hydrogen 3.717 N/A THR 395.A N LEU 366.A O no hydrogen 2.673 N/A LYS 396.A N ASP 401.A OD2 no hydrogen 2.614 N/A THR 398.A N LYS 396.A O no hydrogen 3.021 N/A MET 399.A N THR 327.A OG1 no hydrogen 3.092 N/A ASP 401.A N THR 398.A OG1 no hydrogen 3.305 N/A PHE 402.A N THR 398.A O no hydrogen 2.669 N/A LEU 403.A N MET 399.A O no hydrogen 2.942 N/A THR 404.A N ASP 400.A O no hydrogen 3.153 N/A THR 404.A OG1 ASP 400.A O no hydrogen 2.801 N/A ALA 405.A N ASP 401.A O no hydrogen 2.757 N/A HIS 406.A N PHE 402.A O no hydrogen 3.177 N/A HIS 407.A N LEU 403.A O no hydrogen 2.700 N/A HIS 407.A NE2 GLU 435.A O no hydrogen 3.090 N/A GLU 408.A N THR 404.A O no hydrogen 2.826 N/A MET 409.A N ALA 405.A O no hydrogen 2.892 N/A GLY 410.A N HIS 406.A O no hydrogen 2.853 N/A HIS 411.A ND1 HIS 434.A O no hydrogen 2.612 N/A ILE 412.A N GLU 408.A O no hydrogen 3.302 N/A GLN 413.A N MET 409.A O no hydrogen 2.866 N/A GLN 413.A NE2 PRO 354.A O no hydrogen 2.733 N/A TYR 414.A N GLY 410.A O no hydrogen 3.041 N/A ASP 415.A N HIS 411.A O no hydrogen 2.619 N/A MET 416.A N ILE 412.A O no hydrogen 2.957 N/A ALA 417.A N TYR 414.A O no hydrogen 3.082 N/A ALA 419.A N MET 416.A O no hydrogen 3.251 N/A GLN 421.A N TYR 418.A O no hydrogen 3.153 N/A GLN 421.A NE2 ARG 592.A O no hydrogen 2.529 N/A ARG 426.A N PHE 423.A O no hydrogen 3.178 N/A ARG 426.A NH1 ASP 383.A OD1 no hydrogen 3.096 N/A ARG 426.A NH2 ASP 383.A OD1 no hydrogen 2.754 N/A ALA 429.A N TYR 414.A OH no hydrogen 3.213 N/A GLY 432.A N ASN 430.A OD1 no hydrogen 2.749 N/A VAL 437.A N PHE 433.A O no hydrogen 2.992 N/A GLY 438.A N HIS 434.A O no hydrogen 3.275 N/A GLU 439.A N GLU 435.A O no hydrogen 3.092 N/A ILE 440.A N ALA 436.A O no hydrogen 3.256 N/A MET 441.A N VAL 437.A O no hydrogen 3.430 N/A SER 442.A N GLY 438.A O no hydrogen 3.284 N/A SER 442.A OG GLY 438.A O no hydrogen 3.131 N/A SER 442.A OG GLU 439.A O no hydrogen 2.400 N/A LEU 443.A N GLU 439.A O no hydrogen 2.848 N/A SER 444.A N ILE 440.A O no hydrogen 2.770 N/A SER 444.A OG ILE 440.A O no hydrogen 3.018 N/A ALA 445.A N MET 441.A O no hydrogen 2.657 N/A ALA 446.A N SER 442.A O no hydrogen 2.609 N/A THR 447.A N SER 444.A O no hydrogen 3.270 N/A THR 447.A OG1 SER 444.A O no hydrogen 2.227 N/A LEU 451.A N THR 447.A O no hydrogen 3.310 N/A LYS 452.A N PRO 448.A O no hydrogen 2.723 N/A LYS 452.A NZ PHE 461.A O no hydrogen 3.438 N/A LYS 452.A NZ GLU 463.A OE2 no hydrogen 2.972 N/A SER 453.A N LYS 449.A O no hydrogen 3.069 N/A ILE 454.A N HIS 450.A O no hydrogen 3.329 N/A GLY 455.A N LYS 452.A O no hydrogen 3.229 N/A LEU 457.A N LEU 451.A O no hydrogen 3.022 N/A PHE 461.A N SER 458.A O no hydrogen 3.127 N/A THR 467.A OG1 ASP 464.A O no hydrogen 2.898 N/A THR 467.A OG1 ASP 464.A OD1 no hydrogen 3.187 N/A GLU 468.A N ASP 464.A O no hydrogen 3.306 N/A ILE 469.A N ASN 465.A O no hydrogen 3.023 N/A ASN 470.A N GLU 466.A O no hydrogen 3.323 N/A ASN 470.A ND2 PHE 318.A O no hydrogen 2.862 N/A ASN 470.A ND2 LYS 321.A O no hydrogen 3.603 N/A PHE 471.A N THR 467.A O no hydrogen 2.925 N/A LEU 472.A N GLU 468.A O no hydrogen 2.993 N/A LEU 473.A N ILE 469.A O no hydrogen 2.867 N/A LYS 474.A N ASN 470.A O no hydrogen 3.178 N/A GLN 475.A N PHE 471.A O no hydrogen 2.950 N/A ALA 476.A N LEU 472.A O no hydrogen 2.498 N/A LEU 477.A N LEU 473.A O no hydrogen 2.658 N/A THR 478.A N LYS 474.A O no hydrogen 3.143 N/A THR 478.A OG1 THR 309.A OG1 no hydrogen 2.577 N/A THR 478.A OG1 LYS 474.A O no hydrogen 2.935 N/A ILE 479.A N GLN 475.A O no hydrogen 2.597 N/A GLY 481.A N ALA 476.A O no hydrogen 2.350 N/A THR 482.A OG1 ARG 306.A O no hydrogen 3.179 N/A THR 482.A OG1 THR 486.A OG1 no hydrogen 3.213 N/A LEU 483.A N VAL 480.A O no hydrogen 3.325 N/A THR 486.A N THR 482.A O no hydrogen 2.765 N/A THR 486.A OG1 THR 482.A O no hydrogen 2.711 N/A THR 486.A OG1 THR 482.A OG1 no hydrogen 3.213 N/A TYR 487.A N LEU 483.A O no hydrogen 2.820 N/A MET 488.A N PRO 484.A O no hydrogen 3.146 N/A LEU 489.A N PHE 485.A O no hydrogen 3.075 N/A GLU 490.A N THR 486.A O no hydrogen 3.262 N/A LYS 491.A N TYR 487.A O no hydrogen 2.888 N/A LYS 491.A NZ GLU 260.A OE2 no hydrogen 2.790 N/A TRP 492.A N MET 488.A O no hydrogen 2.387 N/A TRP 492.A NE1 TRP 506.A O no hydrogen 2.878 N/A ARG 493.A N LEU 489.A O no hydrogen 2.733 N/A ARG 493.A NH1 TYR 543.A O no hydrogen 2.328 N/A TRP 494.A N GLU 490.A O no hydrogen 2.689 N/A MET 495.A N LYS 491.A O no hydrogen 3.088 N/A VAL 496.A N TRP 492.A O no hydrogen 3.017 N/A PHE 497.A N ARG 493.A O no hydrogen 2.898 N/A LYS 498.A N TRP 494.A O no hydrogen 2.737 N/A LYS 498.A NZ GLU 500.A OE2 no hydrogen 3.451 N/A GLY 499.A N VAL 496.A O no hydrogen 3.204 N/A GLU 500.A N MET 495.A O no hydrogen 2.776 N/A LYS 503.A NZ GLU 214.A OE1 no hydrogen 3.181 N/A ASP 504.A N ASP 504.A OD1 no hydrogen 2.508 N/A GLN 505.A N PRO 502.A O no hydrogen 2.699 N/A TRP 506.A NE1 ILE 501.A O no hydrogen 2.905 N/A MET 507.A N GLU 528.A OE1 no hydrogen 2.919 N/A MET 507.A N GLU 528.A OE2 no hydrogen 2.748 N/A LYS 508.A N GLU 528.A OE2 no hydrogen 3.365 N/A LYS 508.A NZ GLU 528.A OE2 no hydrogen 3.048 N/A LYS 509.A N GLN 505.A O no hydrogen 3.011 N/A TRP 510.A N TRP 506.A O no hydrogen 2.869 N/A TRP 511.A N MET 507.A O no hydrogen 3.054 N/A TRP 511.A NE1 ASP 532.A OD2 no hydrogen 3.067 N/A GLU 512.A N LYS 508.A O no hydrogen 2.612 N/A MET 513.A N LYS 509.A O no hydrogen 2.685 N/A LYS 514.A N TRP 510.A O no hydrogen 2.864 N/A ARG 515.A N TRP 511.A O no hydrogen 2.430 N/A ARG 515.A NH1 THR 641.A O no hydrogen 2.413 N/A ARG 515.A NH1 ASP 642.A O no hydrogen 3.287 N/A ARG 515.A NH2 GLU 522.A OE2 no hydrogen 3.094 N/A GLU 516.A N GLU 512.A O no hydrogen 2.728 N/A ILE 517.A N MET 513.A O no hydrogen 2.522 N/A VAL 518.A N MET 513.A O no hydrogen 3.343 N/A VAL 520.A N LYS 514.A O no hydrogen 2.668 N/A VAL 521.A N LEU 295.A O no hydrogen 2.465 N/A GLU 522.A N GLU 522.A OE1 no hydrogen 2.403 N/A HIS 526.A ND1 ASP 532.A OD1 no hydrogen 3.172 N/A HIS 526.A ND1 ASP 532.A OD2 no hydrogen 2.407 N/A HIS 526.A NE2 GLU 199.A OE1 no hydrogen 2.364 N/A THR 529.A OG1 ASP 527.A OD1 no hydrogen 2.353 N/A TYR 530.A N ASP 527.A O no hydrogen 3.127 N/A TYR 530.A OH GLU 199.A OE2 no hydrogen 2.309 N/A SER 535.A N ASP 532.A O no hydrogen 3.066 N/A SER 535.A OG ASP 532.A O no hydrogen 2.312 N/A LEU 536.A N PRO 533.A O no hydrogen 3.470 N/A HIS 538.A NE2 TYR 548.A OH no hydrogen 2.385 N/A SER 540.A N LEU 536.A O no hydrogen 3.354 N/A SER 540.A OG LEU 536.A O no hydrogen 3.286 N/A SER 540.A OG PHE 537.A O no hydrogen 3.043 N/A SER 540.A OG ASN 541.A OD1 no hydrogen 2.895 N/A ASN 541.A N PHE 537.A O no hydrogen 3.006 N/A ASP 542.A N VAL 539.A O no hydrogen 3.330 N/A TYR 543.A N HIS 538.A O no hydrogen 2.646 N/A SER 544.A OG GLU 431.A OE1 no hydrogen 2.475 N/A SER 544.A OG GLU 431.A OE2 no hydrogen 2.911 N/A PHE 545.A N GLU 490.A OE1 no hydrogen 3.034 N/A ARG 547.A NE GLU 431.A O no hydrogen 3.008 N/A TYR 548.A OH HIS 538.A NE2 no hydrogen 2.385 N/A TYR 549.A OH THR 262.A OG1 no hydrogen 3.074 N/A THR 550.A N ILE 546.A O no hydrogen 3.010 N/A THR 550.A OG1 TYR 240.A OH no hydrogen 2.498 N/A THR 550.A OG1 ILE 546.A O no hydrogen 3.041 N/A THR 550.A OG1 ARG 547.A O no hydrogen 2.664 N/A ARG 551.A N ARG 547.A O no hydrogen 2.680 N/A THR 552.A N TYR 548.A O no hydrogen 2.807 N/A THR 552.A OG1 TYR 548.A O no hydrogen 2.954 N/A LEU 553.A N TYR 549.A O no hydrogen 3.033 N/A TYR 554.A N THR 550.A O no hydrogen 2.663 N/A GLN 555.A N ARG 551.A O no hydrogen 2.688 N/A PHE 556.A N THR 552.A O no hydrogen 3.262 N/A GLN 557.A N LEU 553.A O no hydrogen 3.244 N/A GLN 557.A NE2 ASN 611.A O no hydrogen 3.085 N/A PHE 558.A N TYR 554.A O no hydrogen 2.605 N/A GLN 559.A N GLN 555.A O no hydrogen 2.518 N/A GLU 560.A N PHE 556.A O no hydrogen 2.770 N/A ALA 561.A N GLN 557.A O no hydrogen 3.116 N/A LEU 562.A N PHE 558.A O no hydrogen 3.108 N/A CYS 563.A N GLN 559.A O no hydrogen 2.877 N/A CYS 563.A SG GLN 559.A O no hydrogen 3.031 N/A GLN 564.A N GLU 560.A O no hydrogen 2.709 N/A ALA 565.A N ALA 561.A O no hydrogen 2.725 N/A ALA 566.A N LEU 562.A O no hydrogen 2.717 N/A LYS 567.A N GLN 564.A O no hydrogen 3.199 N/A HIS 568.A N CYS 563.A O no hydrogen 2.737 N/A HIS 568.A NE2 PRO 571.A O no hydrogen 2.431 N/A LYS 574.A N PRO 571.A O no hydrogen 3.385 N/A CYS 575.A N LEU 572.A O no hydrogen 3.169 N/A SER 578.A N ASP 576.A OD1 no hydrogen 3.059 N/A SER 578.A OG HIS 450.A ND1 no hydrogen 2.823 N/A SER 578.A OG ASP 576.A OD1 no hydrogen 2.950 N/A SER 578.A OG ASP 576.A OD2 no hydrogen 3.408 N/A ALA 583.A N SER 580.A O no hydrogen 3.210 N/A GLY 584.A N VAL 351.A O no hydrogen 2.864 N/A GLN 585.A N THR 581.A O no hydrogen 3.202 N/A LYS 586.A N GLU 582.A O no hydrogen 2.726 N/A LYS 586.A NZ ASN 605.A O no hydrogen 3.466 N/A LYS 586.A NZ VAL 606.A O no hydrogen 3.094 N/A LEU 587.A N ALA 583.A O no hydrogen 2.663 N/A PHE 588.A N GLY 584.A O no hydrogen 2.596 N/A ASN 589.A ND2 GLN 585.A OE1 no hydrogen 3.004 N/A ARG 592.A N PHE 588.A O no hydrogen 3.158 N/A ARG 592.A NH1 ASN 589.A O no hydrogen 3.315 N/A GLY 594.A N MET 590.A O no hydrogen 3.110 N/A SER 596.A N LEU 593.A O no hydrogen 3.394 N/A SER 596.A OG GLN 421.A OE1 no hydrogen 3.462 N/A SER 596.A OG LEU 593.A O no hydrogen 2.823 N/A SER 596.A OG GLU 597.A OE1 no hydrogen 3.570 N/A GLU 597.A N GLU 597.A OE1 no hydrogen 2.613 N/A TRP 599.A NE1 TYR 240.A O no hydrogen 2.501 N/A THR 600.A OG1 TYR 248.A O no hydrogen 3.052 N/A ALA 602.A N PRO 598.A O no hydrogen 2.893 N/A LEU 603.A N TRP 599.A O no hydrogen 2.584 N/A GLU 604.A N THR 600.A O no hydrogen 2.863 N/A ASN 605.A N LEU 601.A O no hydrogen 2.997 N/A VAL 606.A N ALA 602.A O no hydrogen 3.225 N/A VAL 607.A N LEU 603.A O no hydrogen 2.946 N/A LYS 610.A NZ ASP 249.A O no hydrogen 3.342 N/A ASN 611.A ND2 ASP 258.A OD2 no hydrogen 2.489 N/A MET 612.A N ASN 611.A OD1 no hydrogen 2.472 N/A VAL 614.A N ASN 613.A OD1 no hydrogen 2.975 N/A ARG 615.A N ASN 613.A OD1 no hydrogen 3.210 N/A LEU 618.A N VAL 614.A O no hydrogen 3.188 N/A ASN 619.A N ARG 615.A O no hydrogen 3.061 N/A ASN 619.A ND2 GLU 560.A OE2 no hydrogen 3.399 N/A TYR 620.A N PRO 616.A O no hydrogen 2.727 N/A PHE 621.A N LEU 617.A O no hydrogen 3.085 N/A PHE 625.A N PHE 621.A O no hydrogen 2.829 N/A THR 626.A N GLU 622.A O no hydrogen 3.252 N/A THR 626.A OG1 PRO 623.A O no hydrogen 2.910 N/A TRP 627.A N PRO 623.A O no hydrogen 3.023 N/A LEU 628.A N LEU 624.A O no hydrogen 2.603 N/A LYS 629.A N PHE 625.A O no hydrogen 3.226 N/A ASP 630.A N THR 626.A O no hydrogen 3.270 N/A GLN 631.A N TRP 627.A O no hydrogen 3.189 N/A ASN 632.A N LEU 628.A O no hydrogen 2.863 N/A ASN 632.A ND2 HIS 272.A O no hydrogen 2.555 N/A LYS 633.A NZ ASP 630.A O no hydrogen 2.428 N/A LYS 633.A NZ ASP 630.A OD1 no hydrogen 2.644 N/A SER 635.A N ASN 632.A O no hydrogen 3.485 N/A SER 635.A OG ASN 634.A OD1 no hydrogen 3.367 N/A SER 640.A OG ILE 292.A O no hydrogen 2.706 N/A SER 640.A OG ASP 642.A OD1 no hydrogen 3.422 N/A TYR 646.A OH GLU 522.A OE2 no hydrogen 2.827 N/A ALA 647.A N SER 644.A O no hydrogen 3.122 N/A