Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hkb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 SER 355.A OG no hydrogen 3.272 N/A LYS 5.A N ASP 1.A O no hydrogen 3.365 N/A LYS 6.A N GLN 3.A O no hydrogen 2.781 N/A LYS 6.A NZ ASP 2.A OD2 no hydrogen 2.912 N/A ILE 7.A N GLN 3.A O no hydrogen 2.885 N/A ASP 8.A N VAL 4.A O no hydrogen 2.847 N/A LYS 9.A N LYS 6.A O no hydrogen 3.364 N/A TYR 10.A N LYS 6.A O no hydrogen 3.240 N/A LEU 11.A N ILE 7.A O no hydrogen 2.722 N/A ARG 15.A N TYR 12.A O no hydrogen 2.879 N/A SER 17.A OG GLU 19.A OE1 no hydrogen 3.367 N/A THR 20.A N SER 17.A OG no hydrogen 3.177 N/A LEU 21.A N SER 17.A O no hydrogen 2.718 N/A ILE 22.A N ASP 18.A O no hydrogen 2.760 N/A ASP 23.A N GLU 19.A O no hydrogen 3.093 N/A ILE 24.A N THR 20.A O no hydrogen 2.993 N/A MET 25.A N LEU 21.A O no hydrogen 3.042 N/A THR 26.A N ILE 22.A O no hydrogen 2.892 N/A THR 26.A OG1 ILE 22.A O no hydrogen 2.800 N/A ARG 27.A N ASP 23.A O no hydrogen 2.884 N/A ARG 27.A NH1 ASP 257.A OD1 no hydrogen 3.263 N/A ARG 27.A NH2 ASP 23.A OD2 no hydrogen 3.000 N/A ARG 27.A NH2 ASP 257.A OD2 no hydrogen 3.282 N/A PHE 28.A N ILE 24.A O no hydrogen 2.838 N/A ARG 29.A N MET 25.A O no hydrogen 2.937 N/A LYS 30.A N THR 26.A O no hydrogen 3.239 N/A LYS 30.A N ARG 27.A O no hydrogen 2.975 N/A GLU 31.A N ARG 27.A O no hydrogen 3.057 N/A MET 32.A N PHE 28.A O no hydrogen 2.873 N/A ASN 34.A N LYS 30.A O no hydrogen 3.129 N/A GLY 35.A N GLU 31.A O no hydrogen 2.991 N/A LEU 36.A N MET 32.A O no hydrogen 3.101 N/A LEU 36.A N LYS 33.A O no hydrogen 3.240 N/A SER 37.A N LYS 33.A O no hydrogen 3.134 N/A ARG 38.A N ASP 231.A OD2 no hydrogen 3.160 N/A ASP 39.A N SER 37.A OG no hydrogen 2.958 N/A PHE 40.A N SER 37.A OG no hydrogen 3.145 N/A ASN 41.A N SER 37.A O no hydrogen 2.736 N/A ASN 41.A ND2 GLY 35.A O no hydrogen 2.881 N/A THR 43.A N PHE 40.A O no hydrogen 2.855 N/A ALA 44.A N PHE 40.A O no hydrogen 3.238 N/A ALA 44.A N ASN 41.A O no hydrogen 3.106 N/A MET 48.A N THR 244.A O no hydrogen 3.292 N/A LEU 49.A N ASN 243.A O no hydrogen 3.179 N/A THR 51.A N CYS 241.A O no hydrogen 2.916 N/A THR 51.A OG1 CYS 241.A O no hydrogen 2.349 N/A SER 55.A OG ILE 56.A O no hydrogen 2.926 N/A ASP 58.A N GLU 61.A OE2 no hydrogen 3.135 N/A GLY 59.A N GLU 61.A OE1 no hydrogen 2.832 N/A SER 60.A N ASP 58.A OD1 no hydrogen 2.584 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 2.962 N/A SER 60.A OG ASP 58.A OD2 no hydrogen 3.321 N/A GLY 63.A N VAL 82.A O no hydrogen 2.578 N/A PHE 65.A N VAL 80.A O no hydrogen 3.070 N/A ILE 66.A N PRO 134.A O no hydrogen 2.966 N/A ALA 67.A N LEU 78.A O no hydrogen 2.740 N/A LEU 68.A N GLY 136.A O no hydrogen 3.008 N/A ASP 69.A N ARG 76.A O no hydrogen 3.002 N/A LEU 70.A N THR 138.A O no hydrogen 3.024 N/A ARG 76.A N ASP 69.A O no hydrogen 3.327 N/A ILE 77.A N GLU 95.A O no hydrogen 2.852 N/A LEU 78.A N ALA 67.A O no hydrogen 2.969 N/A ARG 79.A N GLU 93.A O no hydrogen 2.964 N/A ARG 79.A NE ASP 64.A OD1 no hydrogen 2.981 N/A ARG 79.A NE ASP 64.A OD2 no hydrogen 3.192 N/A ARG 79.A NH2 ASP 64.A OD2 no hydrogen 2.486 N/A VAL 80.A N PHE 65.A O no hydrogen 2.824 N/A GLN 81.A N HIS 91.A O no hydrogen 2.798 N/A VAL 82.A N GLY 63.A O no hydrogen 2.988 N/A HIS 84.A NE2 TYR 204.A OH no hydrogen 2.824 N/A LYS 86.A N ASN 83.A OD1 no hydrogen 2.513 N/A ASN 87.A N ASN 83.A O no hydrogen 3.339 N/A GLN 88.A N GLN 88.A OE1 no hydrogen 2.627 N/A HIS 91.A N GLN 81.A O no hydrogen 2.932 N/A GLU 93.A N ARG 79.A O no hydrogen 3.135 N/A GLU 95.A N ILE 77.A O no hydrogen 2.762 N/A TYR 97.A N PHE 75.A O no hydrogen 2.773 N/A TYR 97.A OH ASP 121.A OD1 no hydrogen 2.627 N/A VAL 104.A N PRO 100.A O no hydrogen 3.360 N/A HIS 105.A NE2 ARG 159.A O no hydrogen 2.465 N/A GLY 106.A N ILE 103.A O no hydrogen 3.108 N/A SER 107.A OG GLN 110.A OE1 no hydrogen 3.055 N/A GLY 108.A N SER 163.A O no hydrogen 2.633 N/A GLN 110.A N SER 107.A OG no hydrogen 3.021 N/A LEU 111.A N SER 107.A O no hydrogen 2.974 N/A PHE 112.A N GLY 108.A O no hydrogen 2.771 N/A ASP 113.A N SER 109.A O no hydrogen 2.917 N/A HIS 114.A N GLN 110.A O no hydrogen 3.203 N/A VAL 115.A N LEU 111.A O no hydrogen 3.103 N/A ALA 116.A N PHE 112.A O no hydrogen 3.060 N/A GLU 117.A N ASP 113.A O no hydrogen 2.810 N/A CYS 118.A N HIS 114.A O no hydrogen 2.759 N/A CYS 118.A SG HIS 114.A O no hydrogen 3.452 N/A LEU 119.A N VAL 115.A O no hydrogen 3.131 N/A GLY 120.A N ALA 116.A O no hydrogen 3.240 N/A ASP 121.A N GLU 117.A O no hydrogen 2.969 N/A PHE 122.A N CYS 118.A O no hydrogen 3.033 N/A MET 123.A N LEU 119.A O no hydrogen 3.064 N/A GLU 124.A N GLY 120.A O no hydrogen 3.034 N/A GLU 124.A N ASP 121.A O no hydrogen 2.985 N/A LYS 125.A N ASP 121.A O no hydrogen 2.883 N/A ARG 126.A NE GLU 93.A OE1 no hydrogen 3.297 N/A ARG 126.A NH1 GLU 95.A OE1 no hydrogen 3.085 N/A ARG 126.A NH1 PHE 122.A O no hydrogen 3.466 N/A LYS 127.A N GLU 124.A O no hydrogen 2.768 N/A ILE 128.A N MET 123.A O no hydrogen 2.740 N/A LYS 129.A NZ GLU 124.A OE2 no hydrogen 3.308 N/A LYS 129.A NZ ASP 183.A OD1 no hydrogen 3.375 N/A LYS 129.A NZ ASP 183.A OD2 no hydrogen 2.717 N/A LYS 131.A N ILE 128.A O no hydrogen 3.119 N/A VAL 135.A N ASN 187.A O no hydrogen 3.352 N/A GLY 136.A N ILE 66.A O no hydrogen 2.813 N/A PHE 137.A N ALA 190.A O no hydrogen 2.754 N/A THR 138.A N LEU 68.A O no hydrogen 2.785 N/A PHE 139.A N VAL 192.A O no hydrogen 2.953 N/A SER 140.A N LEU 70.A O no hydrogen 3.242 N/A SER 140.A OG LEU 70.A O no hydrogen 2.951 N/A PHE 141.A N PHE 139.A O no hydrogen 2.877 N/A CYS 143.A SG PHE 141.A O no hydrogen 3.833 N/A GLN 144.A N ILE 152.A O no hydrogen 2.733 N/A GLN 145.A NE2 LYS 147.A O no hydrogen 3.642 N/A GLN 145.A NE2 GLU 150.A O no hydrogen 2.765 N/A GLN 145.A NE2 VAL 191.A O no hydrogen 3.553 N/A SER 146.A N GLU 150.A OE1 no hydrogen 2.872 N/A SER 146.A OG GLU 150.A OE1 no hydrogen 2.317 N/A SER 146.A OG GLU 150.A OE2 no hydrogen 3.326 N/A GLU 150.A N LYS 147.A O no hydrogen 3.129 N/A ALA 151.A N ASP 169.A OD1 no hydrogen 3.335 N/A ILE 152.A N GLN 144.A O no hydrogen 2.839 N/A LEU 153.A N ALA 168.A O no hydrogen 2.987 N/A ILE 154.A N PRO 142.A O no hydrogen 3.082 N/A THR 155.A OG1 TRP 156.A O no hydrogen 3.502 N/A THR 155.A OG1 GLU 166.A OE2 no hydrogen 3.267 N/A TRP 156.A N GLU 166.A OE2 no hydrogen 3.140 N/A TRP 156.A NE1 ALA 162.A O no hydrogen 2.650 N/A LYS 158.A NZ GLY 71.A O no hydrogen 2.772 N/A LYS 158.A NZ SER 140.A O no hydrogen 2.958 N/A LYS 161.A N VAL 104.A O no hydrogen 3.014 N/A SER 163.A N GLY 106.A O no hydrogen 2.961 N/A GLY 167.A N LEU 153.A O no hydrogen 2.603 N/A ALA 168.A N VAL 165.A O no hydrogen 2.846 N/A VAL 170.A N ALA 151.A O no hydrogen 3.091 N/A VAL 171.A N ASP 169.A OD1 no hydrogen 2.843 N/A LEU 173.A N ASP 169.A O no hydrogen 2.818 N/A LEU 174.A N VAL 170.A O no hydrogen 2.775 N/A ASN 175.A N VAL 171.A O no hydrogen 2.698 N/A LYS 176.A N LYS 172.A O no hydrogen 3.019 N/A ALA 177.A N LEU 173.A O no hydrogen 3.464 N/A ILE 178.A N LEU 174.A O no hydrogen 3.189 N/A LYS 179.A N ASN 175.A O no hydrogen 3.083 N/A LYS 180.A N LYS 176.A O no hydrogen 2.810 N/A LYS 180.A NZ ASP 113.A OD2 no hydrogen 3.413 N/A ARG 181.A N ILE 178.A O no hydrogen 2.641 N/A GLY 182.A N ILE 178.A O no hydrogen 3.176 N/A GLY 182.A N LYS 179.A O no hydrogen 3.170 N/A TYR 184.A OH ALA 116.A O no hydrogen 2.516 N/A VAL 189.A N VAL 135.A O no hydrogen 2.841 N/A VAL 191.A N ILE 148.A O no hydrogen 2.958 N/A VAL 192.A N PHE 137.A O no hydrogen 2.658 N/A ASN 193.A ND2 PHE 139.A O no hydrogen 3.674 N/A THR 195.A N ASN 193.A OD1 no hydrogen 3.235 N/A THR 195.A OG1 ASN 193.A OD1 no hydrogen 2.927 N/A VAL 196.A N ASN 193.A O no hydrogen 2.950 N/A GLY 197.A N ASN 193.A O no hydrogen 2.880 N/A THR 198.A N ASP 194.A O no hydrogen 2.705 N/A THR 198.A OG1 ASP 194.A O no hydrogen 3.068 N/A MET 199.A N THR 195.A O no hydrogen 3.143 N/A MET 200.A N VAL 196.A O no hydrogen 2.954 N/A THR 201.A N GLY 197.A O no hydrogen 2.942 N/A THR 201.A OG1 GLY 197.A O no hydrogen 3.470 N/A THR 201.A OG1 GLY 433.A O no hydrogen 2.939 N/A THR 201.A OG1 SER 434.A O no hydrogen 3.533 N/A CYS 202.A N THR 198.A O no hydrogen 3.098 N/A CYS 202.A SG THR 198.A O no hydrogen 3.536 N/A CYS 202.A SG LEU 428.A O no hydrogen 3.604 N/A GLY 203.A N MET 199.A O no hydrogen 2.927 N/A TYR 204.A N MET 200.A O no hydrogen 3.183 N/A TYR 204.A N THR 201.A O no hydrogen 3.175 N/A ASP 206.A N CYS 202.A O no hydrogen 2.861 N/A GLN 207.A NE2 PRO 57.A O no hydrogen 3.061 N/A HIS 208.A N ASP 206.A OD1 no hydrogen 2.746 N/A CYS 209.A N ASP 206.A O no hydrogen 3.053 N/A CYS 209.A SG MET 199.A O no hydrogen 3.710 N/A CYS 209.A SG VAL 211.A O no hydrogen 3.644 N/A GLU 210.A N THR 394.A O no hydrogen 3.253 N/A GLY 212.A N CYS 222.A O no hydrogen 2.881 N/A LEU 213.A N GLY 396.A O no hydrogen 2.849 N/A ILE 214.A N ASN 220.A O no hydrogen 2.936 N/A ILE 215.A N ASP 398.A O no hydrogen 2.978 N/A GLY 216.A N GLY 218.A O no hydrogen 2.821 N/A THR 219.A N GLU 279.A OE1 no hydrogen 2.942 N/A THR 219.A OG1 ILE 214.A O no hydrogen 3.214 N/A ASN 220.A N ILE 214.A O no hydrogen 3.142 N/A ASN 220.A ND2 ASN 243.A OD1 no hydrogen 2.893 N/A ALA 221.A N ASN 220.A OD1 no hydrogen 2.531 N/A CYS 222.A N GLY 212.A O no hydrogen 2.925 N/A CYS 222.A SG THR 195.A O no hydrogen 3.000 N/A CYS 222.A SG GLY 212.A O no hydrogen 3.989 N/A TYR 223.A N ILE 242.A O no hydrogen 3.075 N/A TYR 223.A OH GLU 225.A OE1 no hydrogen 2.526 N/A MET 224.A N GLU 210.A O no hydrogen 3.212 N/A GLU 225.A N MET 240.A O no hydrogen 2.965 N/A GLU 226.A N GLU 225.A OE2 no hydrogen 3.004 N/A LEU 227.A N GLY 238.A O no hydrogen 2.825 N/A HIS 229.A N GLU 226.A O no hydrogen 2.603 N/A HIS 229.A ND1 GLU 225.A OE2 no hydrogen 2.627 N/A ILE 230.A N LEU 227.A O no hydrogen 3.270 N/A VAL 233.A N ILE 230.A O no hydrogen 3.126 N/A ARG 239.A NE GLU 226.A OE2 no hydrogen 3.092 N/A ARG 239.A NH1 GLU 210.A OE2 no hydrogen 3.180 N/A ARG 239.A NH2 GLU 210.A OE2 no hydrogen 3.007 N/A MET 240.A N GLU 225.A O no hydrogen 2.968 N/A CYS 241.A N VAL 53.A O no hydrogen 2.699 N/A CYS 241.A SG TYR 223.A O no hydrogen 3.546 N/A ILE 242.A N TYR 223.A O no hydrogen 2.897 N/A ASN 243.A N LEU 49.A O no hydrogen 2.725 N/A ASN 243.A ND2 GLU 245.A OE2 no hydrogen 3.019 N/A THR 244.A N ALA 221.A O no hydrogen 3.156 N/A THR 244.A OG1 ASN 220.A OD1 no hydrogen 3.294 N/A THR 244.A OG1 ALA 221.A O no hydrogen 2.388 N/A GLU 245.A N ASN 220.A OD1 no hydrogen 2.819 N/A TRP 246.A NE1 THR 219.A OG1 no hydrogen 3.001 N/A PHE 249.A N TRP 246.A O no hydrogen 2.709 N/A ASP 251.A N ALA 248.A O no hydrogen 3.226 N/A ASP 252.A N ASP 252.A OD1 no hydrogen 2.568 N/A GLY 253.A N GLY 250.A O no hydrogen 3.087 N/A SER 254.A OG ASP 252.A OD1 no hydrogen 2.656 N/A ILE 258.A N LEU 255.A O no hydrogen 3.009 N/A ARG 259.A N LEU 255.A O no hydrogen 2.946 N/A ARG 259.A N GLU 256.A O no hydrogen 3.287 N/A ARG 259.A NE GLU 256.A OE1 no hydrogen 2.514 N/A THR 260.A N ASP 263.A OD2 no hydrogen 2.350 N/A THR 260.A OG1 ASP 263.A OD2 no hydrogen 3.427 N/A PHE 262.A N THR 260.A OG1 no hydrogen 2.678 N/A ASP 263.A N THR 260.A O no hydrogen 2.661 N/A ASP 263.A N THR 260.A OG1 no hydrogen 3.158 N/A ARG 264.A N THR 260.A O no hydrogen 2.996 N/A ARG 264.A NE GLU 256.A OE2 no hydrogen 2.955 N/A ARG 264.A NH2 GLU 256.A OE2 no hydrogen 2.912 N/A ARG 264.A NH2 ARG 259.A O no hydrogen 3.076 N/A GLU 265.A N GLU 261.A O no hydrogen 2.983 N/A ILE 266.A N PHE 262.A O no hydrogen 3.122 N/A ASP 267.A N ASP 263.A O no hydrogen 2.916 N/A ARG 268.A N ARG 264.A O no hydrogen 2.822 N/A SER 270.A N ASP 267.A O no hydrogen 2.647 N/A SER 270.A OG ASP 267.A O no hydrogen 3.054 N/A SER 270.A OG ASP 267.A OD1 no hydrogen 3.342 N/A SER 270.A OG ASN 272.A OD1 no hydrogen 3.329 N/A GLY 274.A N ASP 267.A OD1 no hydrogen 3.047 N/A GLY 274.A N ASP 267.A OD2 no hydrogen 3.133 N/A LYS 275.A N ASN 272.A O no hydrogen 3.199 N/A GLN 276.A N ASP 251.A OD2 no hydrogen 2.749 N/A GLN 276.A NE2 GLU 279.A OE2 no hydrogen 3.030 N/A LEU 277.A N ASP 251.A OD1 no hydrogen 2.821 N/A GLU 279.A N GLY 247.A O no hydrogen 3.103 N/A LYS 280.A N GLN 276.A O no hydrogen 2.879 N/A LYS 280.A N LEU 277.A O no hydrogen 2.814 N/A LYS 280.A NZ ASP 267.A OD1 no hydrogen 2.909 N/A LYS 280.A NZ SER 270.A OG no hydrogen 2.838 N/A LYS 280.A NZ ASN 272.A O no hydrogen 2.822 N/A LYS 280.A NZ ASN 272.A OD1 no hydrogen 3.016 N/A LYS 280.A NZ LYS 275.A O no hydrogen 2.968 N/A MET 281.A N PHE 278.A O no hydrogen 3.181 N/A VAL 282.A N GLU 279.A O no hydrogen 3.157 N/A SER 283.A N GLU 279.A O no hydrogen 3.237 N/A SER 283.A OG THR 217.A O no hydrogen 2.336 N/A GLY 284.A N GLY 216.A O no hydrogen 2.657 N/A MET 285.A N SER 283.A OG no hydrogen 3.335 N/A TYR 286.A N SER 283.A O no hydrogen 3.034 N/A LEU 287.A N SER 283.A O no hydrogen 3.352 N/A GLY 288.A N THR 321.A OG1 no hydrogen 3.209 N/A LEU 290.A N TYR 286.A O no hydrogen 3.022 N/A VAL 291.A N LEU 287.A O no hydrogen 3.243 N/A VAL 291.A N GLY 288.A O no hydrogen 2.693 N/A ARG 292.A N GLY 288.A O no hydrogen 2.971 N/A LEU 293.A N GLU 289.A O no hydrogen 2.979 N/A ILE 294.A N VAL 291.A O no hydrogen 2.676 N/A LEU 295.A N VAL 291.A O no hydrogen 2.971 N/A VAL 296.A N ARG 292.A O no hydrogen 3.290 N/A LYS 297.A N LEU 293.A O no hydrogen 3.330 N/A LYS 297.A NZ TYR 10.A OH no hydrogen 2.599 N/A LYS 297.A NZ GLU 261.A OE2 no hydrogen 3.509 N/A MET 298.A N ILE 294.A O no hydrogen 2.643 N/A MET 298.A N LEU 295.A O no hydrogen 3.088 N/A ALA 299.A N LEU 295.A O no hydrogen 2.822 N/A LYS 300.A N VAL 296.A O no hydrogen 2.888 N/A GLU 301.A N MET 298.A O no hydrogen 2.752 N/A GLY 302.A N ALA 299.A O no hydrogen 2.871 N/A LEU 303.A N MET 298.A O no hydrogen 3.141 N/A PHE 305.A N ASP 352.A OD1 no hydrogen 3.302 N/A GLY 307.A N LEU 304.A O no hydrogen 2.569 N/A ARG 308.A N PHE 305.A O no hydrogen 2.967 N/A ARG 308.A NH2 GLU 306.A OE1 no hydrogen 3.078 N/A THR 310.A OG1 GLU 312.A OE1 no hydrogen 3.135 N/A THR 310.A OG1 LEU 344.A O no hydrogen 2.740 N/A GLU 312.A N THR 310.A OG1 no hydrogen 3.117 N/A LEU 313.A N THR 310.A OG1 no hydrogen 3.102 N/A THR 315.A N PRO 311.A O no hydrogen 3.072 N/A THR 315.A N GLU 312.A O no hydrogen 2.976 N/A THR 315.A OG1 PRO 311.A O no hydrogen 2.844 N/A GLY 317.A N GLU 289.A OE1 no hydrogen 2.792 N/A THR 321.A OG1 GLY 284.A O no hydrogen 2.576 N/A ASP 323.A N ASN 320.A O no hydrogen 3.138 N/A VAL 324.A N ASN 320.A O no hydrogen 3.423 N/A SER 325.A N THR 321.A O no hydrogen 3.008 N/A SER 325.A N SER 322.A O no hydrogen 3.053 N/A SER 325.A OG THR 404.A O no hydrogen 3.336 N/A SER 325.A OG HIS 405.A ND1 no hydrogen 2.718 N/A ALA 326.A N SER 322.A O no hydrogen 2.926 N/A ILE 327.A N ASP 323.A O no hydrogen 2.804 N/A GLU 328.A N SER 325.A O no hydrogen 2.679 N/A LYS 329.A N ALA 326.A O no hydrogen 3.150 N/A ASN 336.A N GLU 332.A O no hydrogen 3.139 N/A ASN 336.A N GLY 333.A O no hydrogen 3.002 N/A ASN 336.A ND2 ALA 326.A O no hydrogen 3.219 N/A ALA 337.A N GLY 333.A O no hydrogen 3.099 N/A LYS 338.A N LEU 334.A O no hydrogen 2.975 N/A LYS 338.A NZ ASP 350.A OD1 no hydrogen 2.758 N/A LYS 338.A NZ ASP 350.A OD2 no hydrogen 3.567 N/A GLU 339.A N HIS 335.A O no hydrogen 3.461 N/A ILE 340.A N ASN 336.A O no hydrogen 3.055 N/A LEU 341.A N ALA 337.A O no hydrogen 2.892 N/A THR 342.A N LYS 338.A O no hydrogen 2.910 N/A THR 342.A OG1 LYS 338.A O no hydrogen 2.708 N/A ARG 343.A N GLU 339.A O no hydrogen 3.240 N/A LEU 344.A N ILE 340.A O no hydrogen 3.178 N/A GLY 345.A N THR 342.A O no hydrogen 2.949 N/A SER 349.A N ASP 352.A OD2 no hydrogen 3.016 N/A ASP 351.A N SER 349.A OG no hydrogen 2.800 N/A ASP 352.A N SER 349.A O no hydrogen 2.478 N/A ASP 352.A N SER 349.A OG no hydrogen 3.103 N/A CYS 353.A N SER 349.A O no hydrogen 3.105 N/A VAL 354.A N ASP 351.A O no hydrogen 3.352 N/A SER 355.A N ASP 351.A O no hydrogen 3.173 N/A SER 355.A OG ASP 351.A O no hydrogen 2.611 N/A SER 355.A OG ASP 352.A O no hydrogen 3.381 N/A VAL 356.A N ASP 352.A O no hydrogen 2.789 N/A GLN 357.A NE2 ILE 327.A O no hydrogen 3.302 N/A HIS 358.A N VAL 354.A O no hydrogen 3.230 N/A HIS 358.A NE2 ASP 8.A OD1 no hydrogen 2.299 N/A VAL 359.A N SER 355.A O no hydrogen 3.391 N/A CYS 360.A N VAL 356.A O no hydrogen 3.250 N/A THR 361.A N GLN 357.A O no hydrogen 3.344 N/A ILE 362.A N HIS 358.A O no hydrogen 3.127 N/A VAL 363.A N VAL 359.A O no hydrogen 3.040 N/A SER 364.A N CYS 360.A O no hydrogen 2.777 N/A SER 364.A OG GLU 328.A OE2 no hydrogen 3.094 N/A SER 364.A OG HIS 405.A NE2 no hydrogen 3.430 N/A PHE 365.A N ILE 362.A O no hydrogen 3.374 N/A ARG 366.A N ILE 362.A O no hydrogen 3.123 N/A ARG 366.A N VAL 363.A O no hydrogen 3.047 N/A ARG 366.A NH1 ASP 263.A OD2 no hydrogen 3.283 N/A ARG 366.A NH2 ASP 263.A OD1 no hydrogen 3.050 N/A SER 367.A N VAL 363.A O no hydrogen 3.346 N/A SER 367.A OG VAL 282.A O no hydrogen 3.017 N/A SER 367.A OG TYR 408.A OH no hydrogen 2.706 N/A ASN 369.A N PHE 365.A O no hydrogen 2.968 N/A LEU 370.A N ARG 366.A O no hydrogen 2.785 N/A VAL 371.A N SER 367.A O no hydrogen 3.028 N/A ALA 372.A N ALA 368.A O no hydrogen 3.218 N/A ALA 373.A N ASN 369.A O no hydrogen 3.135 N/A ALA 373.A N LEU 370.A O no hydrogen 2.648 N/A THR 374.A N LEU 370.A O no hydrogen 3.249 N/A THR 374.A OG1 VAL 371.A O no hydrogen 3.071 N/A LEU 375.A N VAL 371.A O no hydrogen 2.962 N/A GLY 376.A N ALA 372.A O no hydrogen 3.254 N/A ALA 377.A N ALA 373.A O no hydrogen 3.225 N/A ALA 377.A N THR 374.A O no hydrogen 2.718 N/A ILE 378.A N THR 374.A O no hydrogen 3.135 N/A LEU 379.A N LEU 375.A O no hydrogen 3.094 N/A ASN 380.A N GLY 376.A O no hydrogen 3.077 N/A ARG 381.A N ALA 377.A O no hydrogen 3.248 N/A ARG 381.A N ILE 378.A O no hydrogen 2.899 N/A ARG 381.A NE GLU 225.A OE1 no hydrogen 3.085 N/A ARG 381.A NH2 GLU 225.A OE1 no hydrogen 3.172 N/A ARG 381.A NH2 GLU 225.A OE2 no hydrogen 3.177 N/A LEU 382.A N ILE 378.A O no hydrogen 2.956 N/A ARG 383.A N LEU 379.A O no hydrogen 2.972 N/A ASP 384.A N ASN 380.A O no hydrogen 3.132 N/A ASN 385.A N ARG 381.A O no hydrogen 3.108 N/A LYS 386.A N LEU 382.A O no hydrogen 3.074 N/A LYS 386.A NZ GLU 210.A OE2 no hydrogen 2.784 N/A GLY 387.A N ARG 383.A O no hydrogen 3.233 N/A THR 388.A OG1 ARG 390.A O no hydrogen 2.554 N/A ARG 390.A NE ASP 424.A OD1 no hydrogen 3.078 N/A ARG 390.A NE ASP 424.A OD2 no hydrogen 2.856 N/A ARG 390.A NH2 ASP 424.A OD1 no hydrogen 2.753 N/A LEU 391.A N ASP 422.A O no hydrogen 3.150 N/A THR 393.A N ASP 424.A O no hydrogen 3.305 N/A THR 393.A OG1 GLU 210.A OE1 no hydrogen 3.335 N/A THR 393.A OG1 THR 394.A O no hydrogen 2.982 N/A THR 394.A N HIS 208.A O no hydrogen 2.988 N/A THR 394.A OG1 ASP 206.A OD2 no hydrogen 2.616 N/A VAL 395.A N ARG 426.A O no hydrogen 2.841 N/A GLY 396.A N VAL 211.A O no hydrogen 2.810 N/A VAL 397.A N LEU 428.A O no hydrogen 2.973 N/A GLY 399.A N ASP 398.A OD1 no hydrogen 2.545 N/A TYR 402.A N GLY 399.A O no hydrogen 2.882 N/A TYR 402.A OH HIS 413.A NE2 no hydrogen 2.765 N/A LYS 403.A N GLY 399.A O no hydrogen 2.825 N/A LYS 403.A NZ ASP 398.A OD1 no hydrogen 3.361 N/A THR 404.A N SER 400.A O no hydrogen 2.494 N/A THR 404.A OG1 SER 400.A O no hydrogen 3.196 N/A THR 404.A OG1 THR 404.A O no hydrogen 2.596 N/A HIS 405.A ND1 SER 325.A OG no hydrogen 2.718 N/A GLN 407.A NE2 GLU 328.A O no hydrogen 3.464 N/A GLN 407.A NE2 ASN 330.A OD1 no hydrogen 2.601 N/A TYR 408.A OH SER 367.A OG no hydrogen 2.706 N/A SER 409.A OG TYR 402.A O no hydrogen 3.505 N/A ARG 410.A NE GLN 407.A OE1 no hydrogen 2.862 N/A ARG 410.A NH2 GLN 407.A OE1 no hydrogen 2.621 N/A ARG 411.A N GLN 407.A O no hydrogen 2.924 N/A ARG 411.A NH1 THR 361.A O no hydrogen 3.488 N/A ARG 411.A NH2 THR 361.A OG1 no hydrogen 3.389 N/A PHE 412.A N TYR 408.A O no hydrogen 2.769 N/A HIS 413.A N SER 409.A O no hydrogen 3.075 N/A HIS 413.A NE2 TYR 402.A OH no hydrogen 2.765 N/A LYS 414.A N ARG 410.A O no hydrogen 3.331 N/A THR 415.A N ARG 411.A O no hydrogen 3.171 N/A THR 415.A OG1 ARG 411.A O no hydrogen 2.891 N/A LEU 416.A N PHE 412.A O no hydrogen 3.155 N/A ARG 417.A N HIS 413.A O no hydrogen 2.826 N/A ARG 417.A NH1 VAL 425.A O no hydrogen 2.691 N/A ARG 418.A N LYS 414.A O no hydrogen 2.936 N/A ARG 418.A NE ASP 18.A OD2 no hydrogen 2.591 N/A ARG 418.A NH2 ASP 18.A OD1 no hydrogen 2.524 N/A ARG 418.A NH2 ASP 18.A OD2 no hydrogen 3.213 N/A LEU 419.A N THR 415.A O no hydrogen 2.714 N/A VAL 420.A N LEU 416.A O no hydrogen 2.722 N/A SER 423.A OG VAL 420.A O no hydrogen 3.169 N/A ASP 424.A N LEU 391.A O no hydrogen 2.613 N/A ARG 426.A N THR 393.A O no hydrogen 3.168 N/A LEU 428.A N VAL 395.A O no hydrogen 3.111 N/A SER 430.A N VAL 397.A O no hydrogen 2.827 N/A SER 430.A OG GLY 433.A O no hydrogen 2.865 N/A GLY 433.A N SER 430.A OG no hydrogen 3.070 N/A SER 434.A OG ASP 194.A O no hydrogen 3.534 N/A GLY 437.A N THR 201.A OG1 no hydrogen 2.780 N/A ALA 438.A N SER 434.A O no hydrogen 2.863 N/A ALA 439.A N GLY 435.A O no hydrogen 2.954 N/A MET 440.A N LYS 436.A O no hydrogen 2.930 N/A VAL 441.A N GLY 437.A O no hydrogen 3.164 N/A VAL 441.A N ALA 438.A O no hydrogen 2.752 N/A THR 442.A N ALA 438.A O no hydrogen 2.795 N/A THR 442.A OG1 ALA 438.A O no hydrogen 3.248 N/A ALA 443.A N ALA 439.A O no hydrogen 2.963 N/A ALA 445.A N VAL 441.A O no hydrogen 2.992 N/A TYR 446.A N THR 442.A O no hydrogen 2.839 N/A ARG 447.A N ALA 443.A O no hydrogen 2.977 N/A LEU 448.A N VAL 444.A O no hydrogen 2.961 N/A ALA 449.A N ALA 445.A O no hydrogen 2.987 N/A ALA 449.A N TYR 446.A O no hydrogen 2.972 N/A GLU 450.A N TYR 446.A O no hydrogen 3.201 N/A HIS 452.A N LEU 448.A O no hydrogen 3.017 N/A ARG 453.A N ALA 449.A O no hydrogen 2.688 N/A ARG 453.A NE GLU 450.A OE1 no hydrogen 2.381 N/A ARG 453.A NH1 GLU 457.A OE2 no hydrogen 2.840 N/A GLN 454.A N GLU 450.A O no hydrogen 2.914 N/A ILE 455.A N GLN 451.A O no hydrogen 2.996 N/A GLU 456.A N HIS 452.A O no hydrogen 2.956 N/A GLU 457.A N ARG 453.A O no hydrogen 2.962 N/A THR 458.A N GLN 454.A O no hydrogen 3.213 N/A THR 458.A OG1 GLN 454.A O no hydrogen 3.358 N/A LEU 459.A N ILE 455.A O no hydrogen 3.103 N/A ALA 460.A N GLU 456.A O no hydrogen 2.818 N/A HIS 461.A N THR 458.A O no hydrogen 3.112 N/A PHE 462.A N LEU 459.A O no hydrogen 2.865 N/A HIS 463.A N ALA 460.A O no hydrogen 3.242 N/A LYS 466.A NZ GLU 866.A OE2 no hydrogen 3.092 N/A MET 468.A N THR 465.A OG1 no hydrogen 3.016 N/A LEU 469.A N THR 465.A O no hydrogen 2.875 N/A LEU 470.A N LYS 466.A O no hydrogen 3.002 N/A GLU 471.A N ASP 467.A O no hydrogen 3.281 N/A VAL 472.A N MET 468.A O no hydrogen 3.110 N/A LYS 473.A N LEU 469.A O no hydrogen 3.122 N/A LYS 473.A NZ ASP 828.A OD2 no hydrogen 3.227 N/A LYS 473.A NZ LEU 867.A O no hydrogen 2.794 N/A LYS 473.A NZ SER 868.A OG no hydrogen 3.352 N/A LYS 474.A N LEU 470.A O no hydrogen 2.771 N/A ARG 475.A N GLU 471.A O no hydrogen 2.730 N/A ARG 475.A NE GLU 471.A OE1 no hydrogen 2.982 N/A ARG 475.A NH1 CYS 702.A O no hydrogen 2.426 N/A ARG 475.A NH1 ASP 705.A OD2 no hydrogen 3.423 N/A ARG 475.A NH2 GLU 471.A OE1 no hydrogen 3.466 N/A ARG 475.A NH2 ASP 705.A OD2 no hydrogen 2.585 N/A MET 476.A N VAL 472.A O no hydrogen 2.834 N/A ARG 477.A N LYS 473.A O no hydrogen 3.101 N/A ARG 477.A NE GLU 481.A OE2 no hydrogen 2.851 N/A ARG 477.A NH1 GLU 832.A OE1 no hydrogen 3.150 N/A ARG 477.A NH2 GLU 832.A OE1 no hydrogen 3.046 N/A ALA 478.A N LYS 474.A O no hydrogen 3.079 N/A GLU 479.A N ARG 475.A O no hydrogen 2.990 N/A MET 480.A N MET 476.A O no hydrogen 2.898 N/A GLU 481.A N ARG 477.A O no hydrogen 3.097 N/A LEU 482.A N ALA 478.A O no hydrogen 3.222 N/A GLY 483.A N GLU 479.A O no hydrogen 3.382 N/A LEU 484.A N GLU 481.A O no hydrogen 2.785 N/A ARG 485.A N GLU 481.A O no hydrogen 3.122 N/A LYS 486.A N GLU 679.A OE1 no hydrogen 3.249 N/A GLN 487.A N GLN 487.A OE1 no hydrogen 2.333 N/A THR 488.A N ARG 485.A O no hydrogen 2.867 N/A THR 488.A OG1 LEU 482.A O no hydrogen 3.360 N/A HIS 489.A N ARG 485.A O no hydrogen 2.738 N/A HIS 489.A ND1 GLY 483.A O no hydrogen 2.689 N/A ASN 491.A N THR 488.A O no hydrogen 3.207 N/A ALA 492.A N HIS 489.A O no hydrogen 3.182 N/A LYS 495.A NZ HIS 489.A O no hydrogen 3.443 N/A LYS 495.A NZ ALA 492.A O no hydrogen 3.096 N/A SER 499.A N CYS 689.A O no hydrogen 2.897 N/A SER 499.A OG CYS 689.A O no hydrogen 2.325 N/A ARG 503.A NH1 THR 504.A O no hydrogen 2.652 N/A ARG 503.A NH1 GLU 509.A OE2 no hydrogen 3.023 N/A ARG 503.A NH2 GLU 509.A OE2 no hydrogen 2.836 N/A ASP 506.A N GLU 509.A OE2 no hydrogen 3.237 N/A GLY 507.A N GLU 509.A OE1 no hydrogen 3.130 N/A THR 508.A N ASP 506.A OD1 no hydrogen 2.706 N/A THR 508.A N GLU 509.A OE1 no hydrogen 3.205 N/A THR 508.A OG1 ASP 506.A OD1 no hydrogen 2.460 N/A THR 508.A OG1 ASP 506.A OD2 no hydrogen 2.703 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.734 N/A GLY 511.A N ILE 530.A O no hydrogen 2.810 N/A PHE 513.A N VAL 528.A O no hydrogen 2.842 N/A LEU 514.A N PRO 582.A O no hydrogen 3.149 N/A ALA 515.A N LEU 526.A O no hydrogen 2.956 N/A LEU 516.A N GLY 584.A O no hydrogen 2.875 N/A ASP 517.A N ARG 524.A O no hydrogen 3.091 N/A LEU 518.A N THR 586.A O no hydrogen 2.962 N/A ARG 524.A N ASP 517.A O no hydrogen 3.147 N/A VAL 525.A N LYS 543.A O no hydrogen 2.976 N/A LEU 526.A N ALA 515.A O no hydrogen 2.950 N/A LEU 527.A N HIS 541.A O no hydrogen 2.735 N/A VAL 528.A N PHE 513.A O no hydrogen 2.818 N/A LYS 529.A N GLU 539.A O no hydrogen 2.735 N/A ILE 530.A N GLY 511.A O no hydrogen 2.756 N/A ARG 531.A N THR 537.A O no hydrogen 2.760 N/A ARG 531.A NH1 ASP 512.A OD1 no hydrogen 2.445 N/A ARG 531.A NH1 ILE 530.A O no hydrogen 3.377 N/A ARG 531.A NH2 ASP 512.A OD1 no hydrogen 2.602 N/A ARG 536.A NH1 GLU 653.A OE2 no hydrogen 2.795 N/A ARG 536.A NH2 TYR 652.A O no hydrogen 2.831 N/A THR 537.A N ARG 531.A O no hydrogen 2.546 N/A GLU 539.A N LYS 529.A O no hydrogen 2.858 N/A HIS 541.A N LEU 527.A O no hydrogen 2.795 N/A LYS 543.A N VAL 525.A O no hydrogen 2.969 N/A TYR 545.A N PHE 523.A O no hydrogen 2.950 N/A TYR 545.A OH ASP 569.A OD2 no hydrogen 2.853 N/A MET 552.A N PRO 548.A O no hydrogen 2.937 N/A GLN 553.A N ILE 549.A O no hydrogen 3.020 N/A GLN 553.A NE2 GLY 607.A O no hydrogen 3.086 N/A GLY 554.A N ILE 551.A O no hydrogen 3.063 N/A THR 555.A N GLU 558.A OE1 no hydrogen 3.074 N/A GLY 556.A N THR 611.A O no hydrogen 2.643 N/A GLU 558.A N THR 555.A OG1 no hydrogen 3.389 N/A LEU 559.A N THR 555.A O no hydrogen 2.984 N/A PHE 560.A N GLY 556.A O no hydrogen 3.171 N/A ASP 561.A N GLU 557.A O no hydrogen 2.958 N/A HIS 562.A N GLU 558.A O no hydrogen 2.831 N/A HIS 562.A NE2 ALA 546.A O no hydrogen 2.932 N/A ILE 563.A N LEU 559.A O no hydrogen 3.017 N/A VAL 564.A N PHE 560.A O no hydrogen 3.224 N/A SER 565.A N ASP 561.A O no hydrogen 3.002 N/A CYS 566.A N HIS 562.A O no hydrogen 3.060 N/A CYS 566.A SG HIS 562.A O no hydrogen 3.297 N/A ILE 567.A N ILE 563.A O no hydrogen 2.865 N/A SER 568.A N VAL 564.A O no hydrogen 2.800 N/A SER 568.A OG SER 565.A O no hydrogen 3.394 N/A SER 568.A OG GLU 631.A OE1 no hydrogen 2.954 N/A ASP 569.A N SER 565.A O no hydrogen 3.048 N/A PHE 570.A N CYS 566.A O no hydrogen 3.076 N/A LEU 571.A N ILE 567.A O no hydrogen 3.202 N/A ASP 572.A N SER 568.A O no hydrogen 3.128 N/A TYR 573.A N ASP 569.A O no hydrogen 2.920 N/A MET 574.A N PHE 570.A O no hydrogen 2.725 N/A LYS 577.A N GLY 575.A O no hydrogen 2.626 N/A LYS 577.A NZ SER 568.A O no hydrogen 3.446 N/A LYS 577.A NZ ASP 572.A OD1 no hydrogen 2.967 N/A LYS 577.A NZ ASP 572.A OD2 no hydrogen 3.561 N/A LYS 577.A NZ GLU 631.A OE1 no hydrogen 2.743 N/A ARG 580.A NH1 ASP 633.A OD2 no hydrogen 2.849 N/A LEU 583.A N ASP 635.A O no hydrogen 2.847 N/A GLY 584.A N LEU 514.A O no hydrogen 2.995 N/A PHE 585.A N ALA 638.A O no hydrogen 2.836 N/A THR 586.A N LEU 516.A O no hydrogen 2.832 N/A THR 586.A OG1 LEU 516.A O no hydrogen 3.110 N/A PHE 587.A N VAL 640.A O no hydrogen 2.816 N/A SER 588.A N LEU 518.A O no hydrogen 3.162 N/A SER 588.A OG LEU 518.A O no hydrogen 2.899 N/A PHE 589.A N PHE 587.A O no hydrogen 2.809 N/A CYS 591.A SG PHE 589.A O no hydrogen 3.848 N/A GLN 592.A N ILE 600.A O no hydrogen 3.011 N/A GLN 593.A NE2 SER 499.A O no hydrogen 3.179 N/A SER 595.A OG ASP 597.A OD1 no hydrogen 3.177 N/A ALA 598.A N SER 595.A O no hydrogen 3.297 N/A GLY 599.A N ASP 617.A OD1 no hydrogen 3.395 N/A ILE 600.A N GLN 592.A O no hydrogen 3.153 N/A LEU 601.A N HIS 616.A O no hydrogen 2.990 N/A ILE 602.A N PRO 590.A O no hydrogen 2.828 N/A THR 603.A OG1 TRP 604.A O no hydrogen 3.292 N/A TRP 604.A NE1 ALA 610.A O no hydrogen 2.833 N/A LYS 606.A NZ GLY 519.A O no hydrogen 2.779 N/A LYS 606.A NZ SER 588.A O no hydrogen 3.233 N/A LYS 609.A N MET 552.A O no hydrogen 3.103 N/A THR 611.A N GLY 554.A O no hydrogen 3.152 N/A THR 611.A OG1 GLY 554.A O no hydrogen 3.116 N/A CYS 613.A SG THR 611.A O no hydrogen 3.776 N/A GLY 615.A N LEU 601.A O no hydrogen 2.937 N/A HIS 616.A N CYS 613.A O no hydrogen 2.994 N/A VAL 618.A N GLY 599.A O no hydrogen 2.825 N/A VAL 619.A N ASP 617.A OD1 no hydrogen 2.585 N/A THR 620.A N ASP 617.A OD1 no hydrogen 3.346 N/A LEU 621.A N ASP 617.A O no hydrogen 2.830 N/A LEU 622.A N VAL 618.A O no hydrogen 2.926 N/A ARG 623.A N VAL 619.A O no hydrogen 2.668 N/A ASP 624.A N THR 620.A O no hydrogen 2.799 N/A ILE 626.A N LEU 622.A O no hydrogen 3.086 N/A LYS 627.A N ARG 623.A O no hydrogen 3.001 N/A ARG 628.A N ASP 624.A O no hydrogen 2.840 N/A ARG 629.A N ALA 625.A O no hydrogen 3.346 N/A ARG 629.A NH2 GLU 631.A OE2 no hydrogen 3.459 N/A GLU 630.A N ILE 626.A O no hydrogen 3.177 N/A ASP 635.A N MET 581.A O no hydrogen 2.986 N/A VAL 637.A N LEU 583.A O no hydrogen 3.094 N/A VAL 639.A N LEU 596.A O no hydrogen 3.103 N/A VAL 640.A N PHE 585.A O no hydrogen 2.745 N/A THR 643.A N ASN 641.A OD1 no hydrogen 2.996 N/A THR 643.A OG1 ASN 641.A OD1 no hydrogen 2.735 N/A GLY 645.A N ASN 641.A O no hydrogen 2.806 N/A THR 646.A N ASP 642.A O no hydrogen 2.802 N/A THR 646.A OG1 ASP 642.A O no hydrogen 2.857 N/A MET 647.A N THR 643.A O no hydrogen 3.028 N/A MET 648.A N VAL 644.A O no hydrogen 3.129 N/A THR 649.A N GLY 645.A O no hydrogen 3.032 N/A THR 649.A OG1 GLY 645.A O no hydrogen 2.987 N/A THR 649.A OG1 GLY 881.A O no hydrogen 3.017 N/A CYS 650.A N THR 646.A O no hydrogen 3.021 N/A CYS 650.A SG THR 646.A O no hydrogen 3.680 N/A CYS 650.A SG LEU 876.A O no hydrogen 3.896 N/A ALA 651.A N MET 647.A O no hydrogen 2.784 N/A TYR 652.A N MET 648.A O no hydrogen 2.952 N/A TYR 652.A N THR 649.A O no hydrogen 3.368 N/A GLU 654.A N CYS 650.A O no hydrogen 2.887 N/A THR 656.A N GLU 654.A OE2 no hydrogen 2.654 N/A THR 656.A OG1 GLU 654.A OE2 no hydrogen 2.550 N/A CYS 657.A N GLU 654.A O no hydrogen 3.043 N/A CYS 657.A SG MET 647.A O no hydrogen 3.452 N/A CYS 657.A SG VAL 659.A O no hydrogen 3.799 N/A GLY 660.A N CYS 670.A O no hydrogen 2.822 N/A LEU 661.A N GLY 844.A O no hydrogen 2.852 N/A ILE 662.A N ASN 668.A O no hydrogen 3.054 N/A VAL 663.A N ASP 846.A O no hydrogen 3.032 N/A GLY 664.A N GLY 666.A O no hydrogen 3.012 N/A SER 667.A N GLU 727.A OE1 no hydrogen 3.009 N/A SER 667.A OG ILE 662.A O no hydrogen 2.921 N/A ASN 668.A N ILE 662.A O no hydrogen 3.247 N/A ASN 668.A ND2 ASN 641.A OD1 no hydrogen 3.604 N/A ASN 668.A ND2 ASN 691.A OD1 no hydrogen 2.852 N/A ALA 669.A N ASN 668.A OD1 no hydrogen 2.701 N/A CYS 670.A N GLY 660.A O no hydrogen 2.938 N/A TYR 671.A N ILE 690.A O no hydrogen 3.314 N/A TYR 671.A OH GLU 673.A OE2 no hydrogen 2.738 N/A MET 672.A N GLU 658.A O no hydrogen 3.230 N/A GLU 673.A N MET 688.A O no hydrogen 2.897 N/A GLU 674.A N GLU 673.A OE1 no hydrogen 2.753 N/A MET 675.A N GLY 686.A O no hydrogen 2.823 N/A LYS 676.A NZ ASP 684.A O no hydrogen 2.664 N/A LYS 676.A NZ GLY 686.A O no hydrogen 3.155 N/A ASN 677.A N GLU 674.A O no hydrogen 2.677 N/A ASN 677.A ND2 GLU 673.A OE1 no hydrogen 3.187 N/A GLU 679.A N ASN 677.A O no hydrogen 2.849 N/A VAL 681.A N VAL 678.A O no hydrogen 2.860 N/A GLN 685.A N GLN 685.A OE1 no hydrogen 2.364 N/A GLN 687.A NE2 GLU 674.A OE1 no hydrogen 3.110 N/A GLN 687.A NE2 GLU 674.A OE2 no hydrogen 3.337 N/A MET 688.A N GLU 673.A O no hydrogen 2.936 N/A CYS 689.A N VAL 501.A O no hydrogen 2.798 N/A CYS 689.A SG TYR 671.A O no hydrogen 3.943 N/A ILE 690.A N TYR 671.A O no hydrogen 2.853 N/A ASN 691.A N LEU 497.A O no hydrogen 2.753 N/A ASN 691.A ND2 GLU 693.A OE2 no hydrogen 3.206 N/A MET 692.A N ALA 669.A O no hydrogen 3.152 N/A TRP 694.A N ASN 668.A OD1 no hydrogen 3.155 N/A PHE 697.A N TRP 694.A O no hydrogen 3.066 N/A ASP 699.A N ALA 696.A O no hydrogen 2.881 N/A ASN 700.A ND2 GLU 479.A OE2 no hydrogen 2.811 N/A GLY 701.A N GLY 698.A O no hydrogen 2.975 N/A CYS 702.A N ASN 700.A OD1 no hydrogen 2.923 N/A CYS 702.A SG GLU 479.A OE2 no hydrogen 3.912 N/A CYS 702.A SG ASN 700.A OD1 no hydrogen 3.004 N/A ASP 704.A N GLY 701.A O no hydrogen 2.788 N/A ILE 706.A N LEU 703.A O no hydrogen 2.849 N/A ARG 707.A N LEU 703.A O no hydrogen 3.172 N/A ARG 707.A NH1 ASP 704.A OD1 no hydrogen 2.737 N/A THR 708.A N ASP 711.A OD2 no hydrogen 2.872 N/A THR 708.A OG1 ASP 711.A OD2 no hydrogen 2.700 N/A TYR 710.A OH ASP 745.A OD2 no hydrogen 2.592 N/A ASP 711.A N THR 708.A OG1 no hydrogen 3.285 N/A ARG 712.A N THR 708.A O no hydrogen 2.939 N/A LEU 713.A N HIS 709.A O no hydrogen 2.986 N/A VAL 714.A N TYR 710.A O no hydrogen 3.157 N/A ASP 715.A N ASP 711.A O no hydrogen 2.921 N/A GLU 716.A N ARG 712.A O no hydrogen 2.745 N/A TYR 717.A N LEU 713.A O no hydrogen 3.139 N/A SER 718.A N ASP 715.A O no hydrogen 2.972 N/A SER 718.A OG ASP 715.A O no hydrogen 2.789 N/A SER 718.A OG ASN 720.A OD1 no hydrogen 2.996 N/A GLY 722.A N ASP 715.A OD1 no hydrogen 2.953 N/A GLY 722.A N ASP 715.A OD2 no hydrogen 3.302 N/A LYS 723.A N ASN 720.A O no hydrogen 3.046 N/A GLN 724.A N ASP 699.A OD2 no hydrogen 2.684 N/A GLN 724.A NE2 GLU 727.A OE2 no hydrogen 2.844 N/A ARG 725.A N ASP 699.A OD1 no hydrogen 2.777 N/A ARG 725.A NE GLY 722.A O no hydrogen 3.123 N/A TYR 726.A N PHE 697.A O no hydrogen 3.119 N/A TYR 726.A OH LEU 818.A O no hydrogen 2.503 N/A GLU 727.A N GLY 695.A O no hydrogen 3.333 N/A LYS 728.A N GLN 724.A O no hydrogen 3.191 N/A LYS 728.A NZ ASP 715.A OD1 no hydrogen 2.965 N/A LYS 728.A NZ SER 718.A OG no hydrogen 2.791 N/A LYS 728.A NZ ASN 720.A OD1 no hydrogen 2.707 N/A LYS 728.A NZ LYS 723.A O no hydrogen 2.856 N/A MET 729.A N TYR 726.A O no hydrogen 2.827 N/A ILE 730.A N GLU 727.A O no hydrogen 3.130 N/A SER 731.A N GLU 727.A O no hydrogen 2.906 N/A SER 731.A OG THR 665.A O no hydrogen 2.596 N/A SER 731.A OG GLU 727.A O no hydrogen 3.341 N/A GLY 732.A N GLY 664.A O no hydrogen 2.750 N/A MET 733.A N THR 665.A O no hydrogen 3.395 N/A TYR 734.A N SER 731.A O no hydrogen 3.189 N/A LEU 735.A N SER 731.A O no hydrogen 3.098 N/A ILE 738.A N TYR 734.A O no hydrogen 3.196 N/A VAL 739.A N LEU 735.A O no hydrogen 3.186 N/A ARG 740.A N GLY 736.A O no hydrogen 2.848 N/A ARG 740.A NE GLU 737.A OE2 no hydrogen 3.072 N/A ARG 740.A NH1 LEU 761.A O no hydrogen 3.212 N/A ARG 740.A NH2 GLU 737.A OE1 no hydrogen 2.773 N/A ASN 741.A N GLU 737.A O no hydrogen 3.011 N/A ASN 741.A ND2 GLU 737.A O no hydrogen 2.628 N/A ILE 742.A N ILE 738.A O no hydrogen 2.977 N/A LEU 743.A N VAL 739.A O no hydrogen 2.833 N/A ILE 744.A N ARG 740.A O no hydrogen 2.906 N/A ASP 745.A N ASN 741.A O no hydrogen 3.413 N/A PHE 746.A N ILE 742.A O no hydrogen 3.086 N/A THR 747.A N LEU 743.A O no hydrogen 2.885 N/A THR 747.A OG1 LEU 743.A O no hydrogen 2.976 N/A LYS 748.A N ILE 744.A O no hydrogen 2.965 N/A LYS 749.A N ASP 745.A O no hydrogen 3.124 N/A LYS 749.A NZ ASP 745.A OD1 no hydrogen 3.200 N/A GLY 750.A N THR 747.A O no hydrogen 2.760 N/A PHE 751.A N PHE 746.A O no hydrogen 2.830 N/A PHE 753.A N ASP 800.A OD1 no hydrogen 3.343 N/A PHE 753.A N ASP 800.A OD2 no hydrogen 3.218 N/A ARG 754.A NH1 ASN 795.A O no hydrogen 2.614 N/A ARG 754.A NH2 ASN 795.A O no hydrogen 3.503 N/A GLY 755.A N LEU 752.A O no hydrogen 2.967 N/A GLN 756.A N PHE 753.A O no hydrogen 3.123 N/A LEU 761.A N SER 758.A OG no hydrogen 3.255 N/A LYS 762.A N GLU 759.A O no hydrogen 2.922 N/A THR 763.A N THR 760.A O no hydrogen 2.785 N/A THR 763.A OG1 GLU 759.A O no hydrogen 2.899 N/A THR 763.A OG1 THR 760.A O no hydrogen 3.245 N/A ARG 764.A NH2 TYR 717.A O no hydrogen 3.167 N/A GLY 765.A N GLU 737.A OE2 no hydrogen 2.817 N/A GLU 768.A N ILE 766.A O no hydrogen 3.207 N/A THR 769.A OG1 GLY 732.A O no hydrogen 3.497 N/A PHE 771.A N GLU 768.A O no hydrogen 3.139 N/A LEU 772.A N GLU 768.A O no hydrogen 3.137 N/A SER 773.A N THR 769.A O no hydrogen 3.136 N/A SER 773.A OG THR 769.A O no hydrogen 2.840 N/A ILE 775.A N PHE 771.A O no hydrogen 2.901 N/A SER 777.A N GLN 774.A O no hydrogen 2.849 N/A VAL 785.A N ALA 781.A O no hydrogen 2.983 N/A ARG 786.A N LEU 782.A O no hydrogen 2.978 N/A ARG 786.A NH2 ASP 236.A OD2 no hydrogen 3.387 N/A ALA 787.A N LEU 783.A O no hydrogen 3.098 N/A ILE 788.A N GLN 784.A O no hydrogen 2.931 N/A LEU 789.A N VAL 785.A O no hydrogen 2.963 N/A GLN 790.A N ARG 786.A O no hydrogen 3.065 N/A GLN 791.A N ALA 787.A O no hydrogen 2.966 N/A LEU 792.A N ILE 788.A O no hydrogen 3.191 N/A GLY 793.A N GLN 790.A O no hydrogen 2.969 N/A LEU 794.A N LEU 789.A O no hydrogen 3.148 N/A SER 796.A OG LEU 794.A O no hydrogen 3.008 N/A THR 797.A N ASP 800.A OD2 no hydrogen 3.355 N/A CYS 798.A N GLU 237.A OE1 no hydrogen 3.245 N/A ASP 800.A N THR 797.A OG1 no hydrogen 3.100 N/A SER 801.A N THR 797.A O no hydrogen 3.209 N/A SER 801.A OG THR 797.A O no hydrogen 2.793 N/A ILE 802.A N CYS 798.A O no hydrogen 3.120 N/A LEU 803.A N ASP 799.A O no hydrogen 3.312 N/A VAL 804.A N ASP 800.A O no hydrogen 2.982 N/A LYS 805.A N SER 801.A O no hydrogen 3.009 N/A LYS 805.A NZ ILE 775.A O no hydrogen 3.011 N/A LYS 805.A NZ SER 777.A O no hydrogen 3.460 N/A THR 806.A N ILE 802.A O no hydrogen 3.128 N/A THR 806.A OG1 ILE 802.A O no hydrogen 3.001 N/A VAL 807.A N LEU 803.A O no hydrogen 2.970 N/A CYS 808.A N VAL 804.A O no hydrogen 2.957 N/A CYS 808.A SG VAL 804.A O no hydrogen 3.512 N/A GLY 809.A N LYS 805.A O no hydrogen 2.970 N/A VAL 810.A N THR 806.A O no hydrogen 3.004 N/A VAL 811.A N VAL 807.A O no hydrogen 3.138 N/A SER 812.A N CYS 808.A O no hydrogen 2.972 N/A SER 812.A OG GLU 776.A OE1 no hydrogen 2.994 N/A SER 812.A OG GLU 776.A OE2 no hydrogen 3.328 N/A SER 812.A OG CYS 808.A O no hydrogen 3.447 N/A SER 812.A OG GLY 809.A O no hydrogen 3.272 N/A ARG 813.A N GLY 809.A O no hydrogen 2.820 N/A ARG 814.A N VAL 810.A O no hydrogen 3.100 N/A ARG 814.A NH1 ASP 711.A OD2 no hydrogen 2.952 N/A ARG 814.A NH2 ASP 711.A OD1 no hydrogen 2.753 N/A ARG 814.A NH2 ASP 711.A OD2 no hydrogen 3.203 N/A ALA 815.A N VAL 811.A O no hydrogen 3.129 N/A ALA 816.A N SER 812.A O no hydrogen 3.215 N/A GLN 817.A N ARG 813.A O no hydrogen 3.072 N/A LEU 818.A N ARG 814.A O no hydrogen 2.971 N/A CYS 819.A N ALA 815.A O no hydrogen 3.076 N/A GLY 820.A N ALA 816.A O no hydrogen 2.850 N/A ALA 821.A N GLN 817.A O no hydrogen 2.876 N/A GLY 822.A N LEU 818.A O no hydrogen 3.079 N/A MET 823.A N CYS 819.A O no hydrogen 2.960 N/A ALA 824.A N GLY 820.A O no hydrogen 2.674 N/A ALA 825.A N ALA 821.A O no hydrogen 3.184 N/A VAL 826.A N GLY 822.A O no hydrogen 3.323 N/A VAL 827.A N MET 823.A O no hydrogen 3.100 N/A ASP 828.A N ALA 824.A O no hydrogen 3.223 N/A LYS 829.A N ALA 825.A O no hydrogen 3.224 N/A LYS 829.A N VAL 826.A O no hydrogen 2.838 N/A LYS 829.A NZ GLU 673.A OE2 no hydrogen 2.953 N/A LYS 829.A NZ ASN 833.A OD1 no hydrogen 3.249 N/A ILE 830.A N VAL 826.A O no hydrogen 3.124 N/A ARG 831.A N VAL 827.A O no hydrogen 3.047 N/A ARG 831.A NE ASP 828.A OD1 no hydrogen 3.108 N/A GLU 832.A N ASP 828.A O no hydrogen 3.160 N/A ASN 833.A N LYS 829.A O no hydrogen 2.844 N/A ARG 834.A N ILE 830.A O no hydrogen 3.300 N/A ARG 834.A NH1 GLU 658.A OE2 no hydrogen 3.097 N/A ARG 834.A NH2 MET 672.A O no hydrogen 3.237 N/A ARG 834.A NH2 GLU 674.A OE2 no hydrogen 2.909 N/A GLY 835.A N GLU 832.A O no hydrogen 2.972 N/A LEU 836.A N ARG 831.A O no hydrogen 2.913 N/A LEU 839.A N LYS 870.A O no hydrogen 3.034 N/A VAL 841.A N ASN 872.A O no hydrogen 3.309 N/A THR 842.A N THR 656.A O no hydrogen 3.230 N/A VAL 843.A N SER 874.A O no hydrogen 2.508 N/A GLY 844.A N VAL 659.A O no hydrogen 2.845 N/A VAL 845.A N LEU 876.A O no hydrogen 2.849 N/A GLY 847.A N ASP 846.A OD1 no hydrogen 2.769 N/A TYR 850.A N VAL 663.A O no hydrogen 3.262 N/A TYR 850.A OH HIS 861.A NE2 no hydrogen 2.574 N/A LYS 851.A N GLY 847.A O no hydrogen 2.927 N/A LYS 851.A NZ ASP 846.A OD1 no hydrogen 3.223 N/A LYS 851.A NZ SER 878.A O no hydrogen 3.379 N/A LEU 852.A N THR 848.A O no hydrogen 2.797 N/A HIS 853.A N LEU 849.A O no hydrogen 2.987 N/A HIS 853.A NE2 GLU 776.A OE2 no hydrogen 2.697 N/A HIS 855.A N HIS 853.A ND1 no hydrogen 3.069 N/A HIS 855.A NE2 ASP 778.A OD2 no hydrogen 3.070 N/A PHE 856.A N HIS 853.A ND1 no hydrogen 3.146 N/A ILE 859.A N HIS 855.A O no hydrogen 2.968 N/A MET 860.A N PHE 856.A O no hydrogen 2.822 N/A HIS 861.A N SER 857.A O no hydrogen 2.790 N/A HIS 861.A NE2 TYR 850.A OH no hydrogen 2.574 N/A GLN 862.A N ARG 858.A O no hydrogen 3.008 N/A THR 863.A N ILE 859.A O no hydrogen 3.150 N/A THR 863.A OG1 ILE 859.A O no hydrogen 2.915 N/A VAL 864.A N MET 860.A O no hydrogen 3.062 N/A LYS 865.A N HIS 861.A O no hydrogen 3.087 N/A GLU 866.A N GLN 862.A O no hydrogen 3.104 N/A LEU 867.A N THR 863.A O no hydrogen 3.015 N/A LEU 867.A N VAL 864.A O no hydrogen 3.144 N/A SER 868.A N VAL 864.A O no hydrogen 2.842 N/A SER 868.A OG ALA 824.A O no hydrogen 3.039 N/A CYS 871.A N SER 868.A O no hydrogen 3.197 N/A CYS 871.A SG ASP 828.A OD1 no hydrogen 3.246 N/A ASN 872.A N LEU 839.A O no hydrogen 2.715 N/A SER 874.A N VAL 841.A O no hydrogen 3.033 N/A LEU 876.A N VAL 843.A O no hydrogen 2.716 N/A SER 878.A N VAL 845.A O no hydrogen 2.831 N/A SER 878.A OG ASP 846.A OD2 no hydrogen 3.376 N/A GLY 881.A N SER 878.A OG no hydrogen 3.233 N/A SER 882.A OG ASP 642.A O no hydrogen 3.307 N/A ALA 886.A N SER 882.A O no hydrogen 2.989 N/A ALA 887.A N GLY 883.A O no hydrogen 3.072 N/A LEU 888.A N LYS 884.A O no hydrogen 3.185 N/A ILE 889.A N ALA 886.A O no hydrogen 3.032 N/A THR 890.A N ALA 886.A O no hydrogen 2.803 N/A THR 890.A OG1 ALA 886.A O no hydrogen 2.935 N/A ALA 891.A N ALA 887.A O no hydrogen 2.920 N/A GLY 893.A N ILE 889.A O no hydrogen 2.888 N/A VAL 894.A N THR 890.A O no hydrogen 2.902 N/A ARG 895.A N ALA 891.A O no hydrogen 2.888 N/A ARG 895.A NH1 THR 508.A OG1 no hydrogen 2.771 N/A ARG 895.A NH2 THR 508.A OG1 no hydrogen 3.184 N/A LEU 896.A N VAL 892.A O no hydrogen 2.847 N/A LEU 896.A N GLY 893.A O no hydrogen 3.246 N/A ARG 897.A N GLY 893.A O no hydrogen 3.021 N/A ARG 897.A N VAL 894.A O no hydrogen 2.728 N/A THR 898.A N VAL 894.A O no hydrogen 2.759 N/A