Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5yp1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLN 503.A O no hydrogen 2.743 N/A LEU 3.A N GLN 503.A OE1 no hydrogen 2.917 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 3.066 N/A ALA 7.A N THR 4.A OG1 no hydrogen 3.129 N/A ILE 8.A N THR 4.A O no hydrogen 3.399 N/A THR 9.A N LEU 5.A O no hydrogen 2.951 N/A THR 9.A OG1 LEU 5.A O no hydrogen 2.799 N/A THR 9.A OG1 GLU 6.A O no hydrogen 3.344 N/A GLY 10.A N ALA 7.A O no hydrogen 3.483 N/A GLY 16.A N PRO 13.A O no hydrogen 2.985 N/A LYS 21.A NZ ASP 65.A OD1 no hydrogen 2.861 N/A LYS 21.A NZ ASP 65.A OD2 no hydrogen 3.204 N/A GLN 23.A N THR 32.A O no hydrogen 2.896 N/A ALA 25.A N ARG 30.A O no hydrogen 2.981 N/A GLY 28.A N ALA 25.A O no hydrogen 2.759 N/A SER 29.A N ASP 27.A OD1 no hydrogen 3.002 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.536 N/A ARG 30.A NE GLU 41.A OE1 no hydrogen 2.530 N/A ARG 30.A NH2 GLU 41.A OE1 no hydrogen 2.820 N/A VAL 31.A N TYR 42.A O no hydrogen 3.050 N/A THR 32.A N GLN 23.A O no hydrogen 2.732 N/A THR 32.A OG1 GLN 23.A O no hydrogen 3.368 N/A THR 32.A OG1 TYR 66.A OH no hydrogen 2.692 N/A PHE 33.A N TRP 40.A O no hydrogen 3.335 N/A LEU 34.A N THR 20.A O no hydrogen 2.571 N/A ARG 35.A N ASP 38.A O no hydrogen 2.898 N/A ASP 38.A N ARG 35.A O no hydrogen 2.713 N/A LEU 39.A N VAL 53.A O no hydrogen 3.027 N/A TRP 40.A N PHE 33.A O no hydrogen 2.887 N/A GLU 41.A N ARG 50.A O no hydrogen 2.988 N/A TYR 42.A N VAL 31.A O no hydrogen 2.713 N/A ASP 43.A N GLN 48.A O no hydrogen 2.868 N/A ILE 44.A N SER 29.A O no hydrogen 3.257 N/A SER 46.A N ASP 43.A OD2 no hydrogen 3.086 N/A SER 46.A OG ASP 43.A OD2 no hydrogen 2.671 N/A GLY 47.A N ASP 43.A O no hydrogen 2.766 N/A ARG 50.A N GLU 41.A O no hydrogen 2.977 N/A ARG 50.A NE GLU 41.A OE2 no hydrogen 3.303 N/A ARG 50.A NH1 GLN 48.A OE1 no hydrogen 3.057 N/A ARG 50.A NH2 GLU 41.A OE2 no hydrogen 3.410 N/A LEU 52.A N LEU 39.A O no hydrogen 2.889 N/A VAL 53.A N LEU 39.A O no hydrogen 2.996 N/A SER 55.A N ASP 38.A OD1 no hydrogen 2.724 N/A SER 55.A OG LEU 37.A O no hydrogen 2.537 N/A SER 55.A OG ASP 38.A OD1 no hydrogen 3.295 N/A SER 56.A OG ASP 54.A OD2 no hydrogen 2.739 N/A VAL 58.A N SER 55.A O no hydrogen 2.779 N/A LEU 59.A N SER 55.A O no hydrogen 3.157 N/A ILE 63.A N LEU 37.A O no hydrogen 3.156 N/A ILE 63.A N SER 55.A OG no hydrogen 3.091 N/A TYR 66.A OH LYS 21.A O no hydrogen 2.818 N/A TYR 66.A OH THR 32.A OG1 no hydrogen 2.692 N/A GLN 67.A N LEU 76.A O no hydrogen 2.948 N/A GLN 67.A NE2 PRO 109.A O no hydrogen 2.739 N/A TRP 68.A NE1 THR 32.A OG1 no hydrogen 3.204 N/A SER 69.A N ALA 74.A O no hydrogen 2.955 N/A SER 69.A OG ASP 71.A OD1 no hydrogen 3.147 N/A SER 69.A OG ALA 74.A O no hydrogen 3.094 N/A GLY 72.A N SER 69.A O no hydrogen 2.986 N/A LYS 73.A N ASP 71.A OD1 no hydrogen 2.577 N/A ALA 74.A N SER 69.A OG no hydrogen 3.003 N/A LEU 75.A N TYR 86.A O no hydrogen 3.029 N/A LEU 76.A N GLN 67.A O no hydrogen 2.806 N/A PHE 77.A N TYR 84.A O no hydrogen 2.734 N/A LEU 79.A N GLU 82.A O no hydrogen 3.213 N/A GLU 82.A N LEU 79.A O no hydrogen 3.074 N/A TYR 84.A N PHE 77.A O no hydrogen 2.804 N/A PHE 85.A N VAL 96.A O no hydrogen 3.023 N/A TYR 86.A N LEU 75.A O no hydrogen 2.777 N/A TYR 86.A OH SER 91.A O no hydrogen 3.312 N/A ASP 87.A N ASP 94.A OD1 no hydrogen 2.799 N/A LEU 88.A N LYS 73.A O no hydrogen 2.717 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 3.026 N/A LYS 90.A N ASP 87.A O no hydrogen 3.455 N/A VAL 96.A N PHE 85.A O no hydrogen 2.926 N/A ARG 97.A NE LEU 99.A O no hydrogen 3.140 N/A ARG 97.A NH2 LEU 99.A O no hydrogen 3.022 N/A LYS 98.A N LEU 83.A O no hydrogen 3.336 N/A ALA 106.A N GLY 81.A O no hydrogen 2.953 N/A THR 107.A N ILE 121.A O no hydrogen 2.908 N/A THR 107.A OG1 ILE 121.A O no hydrogen 3.280 N/A LYS 110.A N SER 119.A O no hydrogen 2.710 N/A LYS 110.A NZ THR 164.A OG1 no hydrogen 2.944 N/A SER 112.A N PHE 117.A O no hydrogen 2.731 N/A SER 112.A OG PHE 117.A O no hydrogen 2.835 N/A SER 112.A OG ASP 172.A OD2 no hydrogen 2.874 N/A LYS 114.A N ASP 172.A OD1 no hydrogen 2.889 N/A GLY 116.A N ASP 172.A OD2 no hydrogen 3.125 N/A PHE 117.A N SER 112.A OG no hydrogen 2.727 N/A VAL 118.A N ILE 129.A O no hydrogen 3.100 N/A PHE 120.A N TRP 127.A O no hydrogen 3.294 N/A ILE 121.A N THR 107.A O no hydrogen 3.057 N/A ARG 122.A N ASN 125.A O no hydrogen 3.268 N/A ARG 122.A NE GLY 104.A O no hydrogen 3.206 N/A ARG 122.A NH1 GLU 136.A OE2 no hydrogen 3.127 N/A ARG 122.A NH2 GLU 136.A OE2 no hydrogen 2.554 N/A ARG 124.A NH1 SER 144.A O no hydrogen 2.996 N/A ARG 124.A NH1 GLU 182.A OE2 no hydrogen 3.010 N/A ARG 124.A NH2 GLU 182.A OE2 no hydrogen 3.105 N/A ASN 125.A N ARG 122.A O no hydrogen 2.768 N/A LEU 126.A N THR 140.A OG1 no hydrogen 3.136 N/A TRP 127.A N PHE 120.A O no hydrogen 3.025 N/A ALA 128.A N VAL 137.A O no hydrogen 3.194 N/A ILE 129.A N VAL 118.A O no hydrogen 3.099 N/A LEU 131.A N GLY 116.A O no hydrogen 2.826 N/A SER 133.A N ASP 130.A OD2 no hydrogen 3.311 N/A SER 133.A OG ASP 130.A O no hydrogen 3.289 N/A SER 133.A OG ASP 130.A OD2 no hydrogen 2.923 N/A GLY 134.A N ASP 130.A O no hydrogen 2.627 N/A LYS 135.A N SER 133.A OG no hydrogen 3.343 N/A VAL 137.A N ALA 128.A O no hydrogen 2.954 N/A GLN 138.A NE2 THR 140.A O no hydrogen 2.771 N/A THR 140.A OG1 ASN 125.A OD1 no hydrogen 2.637 N/A ASP 142.A N ASN 125.A OD1 no hydrogen 3.180 N/A SER 144.A N ILE 147.A O no hydrogen 3.033 N/A THR 146.A N SER 144.A OG no hydrogen 3.141 N/A THR 146.A OG1 ASP 181.A OD1 no hydrogen 3.417 N/A THR 146.A OG1 THR 183.A OG1 no hydrogen 2.592 N/A ILE 147.A N SER 144.A OG no hydrogen 2.718 N/A GLY 148.A N ILE 180.A O no hydrogen 3.173 N/A ASN 149.A ND2 ARG 124.A O no hydrogen 2.518 N/A GLY 150.A N ALA 178.A O no hydrogen 3.076 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.831 N/A ALA 156.A N GLU 153.A O no hydrogen 2.727 N/A ASP 157.A N GLU 153.A O no hydrogen 3.262 N/A GLU 158.A N PHE 154.A O no hydrogen 2.969 N/A GLU 159.A N VAL 155.A O no hydrogen 2.989 N/A MET 160.A N VAL 155.A O no hydrogen 3.268 N/A ARG 162.A N ALA 156.A O no hydrogen 3.033 N/A ARG 162.A NE LEU 241.A O no hydrogen 2.999 N/A ARG 162.A NE ALA 242.A O no hydrogen 3.102 N/A ARG 162.A NH1 THR 164.A O no hydrogen 3.248 N/A ARG 162.A NH2 GLU 153.A OE1 no hydrogen 3.366 N/A ARG 162.A NH2 LEU 241.A O no hydrogen 2.699 N/A HIS 163.A ND1 ASP 157.A OD1 no hydrogen 2.751 N/A HIS 163.A NE2 ASP 161.A OD1 no hydrogen 2.638 N/A THR 164.A OG1 ASP 108.A OD1 no hydrogen 3.506 N/A THR 164.A OG1 ASP 108.A OD2 no hydrogen 2.498 N/A TYR 166.A OH ASP 108.A O no hydrogen 2.429 N/A TRP 167.A N ALA 176.A O no hydrogen 2.680 N/A TRP 168.A NE1 SER 119.A OG no hydrogen 2.504 N/A ALA 169.A N ALA 174.A O no hydrogen 3.089 N/A ASP 172.A N ALA 169.A O no hydrogen 3.306 N/A ALA 173.A N ASP 171.A OD1 no hydrogen 3.134 N/A ILE 175.A N ILE 220.A O no hydrogen 2.921 N/A ALA 176.A N TRP 167.A O no hydrogen 2.750 N/A PHE 177.A N GLY 218.A O no hydrogen 3.015 N/A ALA 178.A N GLY 165.A O no hydrogen 2.815 N/A ARG 179.A N GLN 216.A O no hydrogen 2.620 N/A ARG 179.A NE ASP 142.A OD2 no hydrogen 2.671 N/A ARG 179.A NH1 GLN 216.A OE1 no hydrogen 2.943 N/A ILE 180.A N GLY 148.A O no hydrogen 2.890 N/A ASP 181.A N ARG 214.A O no hydrogen 2.565 N/A GLU 182.A N THR 146.A O no hydrogen 2.831 N/A THR 183.A N ASP 181.A OD1 no hydrogen 3.249 N/A THR 183.A OG1 THR 146.A OG1 no hydrogen 2.592 N/A THR 183.A OG1 ASP 181.A OD1 no hydrogen 2.994 N/A VAL 185.A N GLU 182.A O no hydrogen 3.148 N/A GLN 188.A N GLN 203.A O no hydrogen 2.768 N/A ARG 190.A N VAL 201.A O no hydrogen 3.206 N/A ARG 190.A NH2 ASP 639.A O no hydrogen 2.824 N/A VAL 201.A N ARG 190.A O no hydrogen 3.502 N/A GLN 203.A N GLN 188.A O no hydrogen 3.178 N/A ARG 204.A NH1 VAL 185.A O no hydrogen 2.764 N/A TYR 205.A N PRO 186.A O no hydrogen 3.200 N/A GLY 209.A N GLU 601.A OE2 no hydrogen 3.238 N/A ASP 210.A N ALA 207.A O no hydrogen 2.851 N/A ARG 214.A N ASP 181.A O no hydrogen 2.693 N/A GLN 216.A N ARG 179.A O no hydrogen 2.778 N/A GLY 218.A N PHE 177.A O no hydrogen 2.863 N/A ILE 220.A N ILE 175.A O no hydrogen 3.035 N/A LYS 223.A N ALA 221.A O no hydrogen 2.933 N/A ALA 226.A N LYS 223.A O no hydrogen 3.019 N/A ARG 229.A N VAL 219.A O no hydrogen 2.913 N/A ILE 231.A N LEU 217.A O no hydrogen 2.855 N/A ASP 238.A N ASP 236.A OD1 no hydrogen 3.362 N/A TYR 240.A N GLN 257.A O no hydrogen 2.895 N/A ALA 242.A N GLN 255.A O no hydrogen 3.056 N/A ARG 243.A NE HIS 291.A O no hydrogen 2.882 N/A ARG 243.A NE ASN 292.A OD1 no hydrogen 3.212 N/A ARG 243.A NH1 MET 160.A O no hydrogen 3.117 N/A ARG 243.A NH1 ALA 242.A O no hydrogen 2.816 N/A ARG 243.A NH2 MET 160.A O no hydrogen 2.844 N/A ARG 243.A NH2 HIS 291.A O no hydrogen 3.559 N/A ASP 245.A N THR 253.A O no hydrogen 3.473 N/A TRP 246.A NE1 TRP 167.A O no hydrogen 2.957 N/A ARG 247.A N ARG 251.A O no hydrogen 2.726 N/A ARG 247.A NH1 GLU 268.A OE2 no hydrogen 3.109 N/A ARG 247.A NH1 GLU 319.A O no hydrogen 3.199 N/A ARG 247.A NH2 GLY 300.A O no hydrogen 2.918 N/A ARG 247.A NH2 GLU 319.A O no hydrogen 3.036 N/A ARG 251.A N ASP 248.A O no hydrogen 3.055 N/A ARG 251.A NE ASP 248.A OD1 no hydrogen 3.245 N/A ARG 251.A NH1 GLU 319.A OE2 no hydrogen 3.284 N/A ARG 251.A NH2 ASP 248.A OD2 no hydrogen 3.278 N/A LEU 252.A N THR 269.A O no hydrogen 3.433 N/A THR 253.A N ASP 245.A O no hydrogen 2.830 N/A PHE 254.A N ILE 267.A O no hydrogen 3.015 N/A GLN 255.A N ARG 243.A O no hydrogen 2.658 N/A ARG 256.A N GLU 265.A O no hydrogen 3.112 N/A ARG 256.A NH1 LEU 233.A O no hydrogen 3.122 N/A ARG 256.A NH2 GLU 265.A OE1 no hydrogen 2.490 N/A GLN 257.A N TYR 240.A O no hydrogen 3.237 N/A GLN 257.A NE2 GLN 261.A OE1 no hydrogen 3.643 N/A SER 258.A N LYS 263.A O no hydrogen 2.910 N/A SER 258.A OG ASP 260.A OD1 no hydrogen 3.082 N/A SER 258.A OG LYS 263.A O no hydrogen 2.862 N/A ARG 259.A NE GLU 601.A OE1 no hydrogen 3.163 N/A ARG 259.A NE GLU 601.A OE2 no hydrogen 3.450 N/A ARG 259.A NH1 ASP 210.A O no hydrogen 3.226 N/A ARG 259.A NH1 ASP 238.A OD1 no hydrogen 2.662 N/A ARG 259.A NH2 ASP 210.A O no hydrogen 2.548 N/A ARG 259.A NH2 GLU 601.A OE2 no hydrogen 3.033 N/A GLN 261.A N SER 258.A O no hydrogen 2.669 N/A GLN 261.A NE2 HIS 598.A O no hydrogen 2.700 N/A LYS 262.A N ASP 260.A OD1 no hydrogen 3.195 N/A LYS 262.A NZ THR 285.A O no hydrogen 2.768 N/A LYS 262.A NZ THR 286.A O no hydrogen 3.047 N/A LYS 262.A NZ TYR 528.A OH no hydrogen 2.656 N/A LYS 263.A N SER 258.A OG no hydrogen 2.987 N/A ILE 264.A N GLU 282.A O no hydrogen 3.197 N/A GLU 265.A N ARG 256.A O no hydrogen 2.909 N/A LEU 266.A N VAL 280.A O no hydrogen 2.978 N/A ILE 267.A N PHE 254.A O no hydrogen 2.793 N/A GLU 268.A N ARG 277.A O no hydrogen 3.230 N/A THR 269.A N LEU 252.A O no hydrogen 2.737 N/A THR 270.A N THR 275.A O no hydrogen 3.270 N/A THR 270.A OG1 GLU 268.A OE1 no hydrogen 3.483 N/A THR 270.A OG1 THR 275.A O no hydrogen 3.530 N/A LEU 271.A N GLN 250.A O no hydrogen 2.947 N/A GLN 276.A NE2 ASP 232.A O no hydrogen 2.611 N/A ARG 277.A N GLU 268.A O no hydrogen 3.082 N/A ARG 277.A NE GLU 268.A OE1 no hydrogen 3.066 N/A ARG 277.A NH2 GLU 268.A OE2 no hydrogen 3.258 N/A ARG 277.A NH2 GLU 319.A OE1 no hydrogen 3.054 N/A ARG 277.A NH2 GLU 319.A OE2 no hydrogen 3.159 N/A LEU 279.A N LEU 266.A O no hydrogen 2.833 N/A GLU 282.A N ILE 264.A O no hydrogen 2.883 N/A SER 284.A N LYS 262.A O no hydrogen 2.805 N/A SER 284.A OG THR 286.A OG1 no hydrogen 3.097 N/A SER 284.A OG TRP 287.A O no hydrogen 3.386 N/A THR 286.A OG1 SER 284.A OG no hydrogen 3.097 N/A VAL 288.A N GLN 261.A O no hydrogen 2.556 N/A ASN 292.A ND2 ASP 161.A OD2 no hydrogen 3.066 N/A ARG 295.A N LEU 303.A O no hydrogen 3.380 N/A ARG 295.A NH1 ASN 292.A O no hydrogen 2.707 N/A ARG 295.A NH1 LEU 294.A O no hydrogen 3.432 N/A LEU 297.A N ARG 301.A O no hydrogen 3.258 N/A LYS 298.A N GLU 342.A OE2 no hydrogen 2.651 N/A GLY 300.A N LEU 297.A O no hydrogen 3.398 N/A ARG 301.A N ASP 299.A OD1 no hydrogen 3.302 N/A ARG 301.A NE ASP 299.A OD1 no hydrogen 3.443 N/A ARG 301.A NE ASP 299.A OD2 no hydrogen 3.352 N/A ARG 301.A NH2 ASP 299.A OD2 no hydrogen 3.238 N/A LEU 303.A N ARG 295.A O no hydrogen 2.870 N/A TRP 304.A N TYR 315.A O no hydrogen 2.658 N/A TRP 304.A NE1 GLU 282.A OE2 no hydrogen 3.216 N/A SER 305.A OG ASP 293.A OD2 no hydrogen 3.103 N/A SER 305.A OG HIS 313.A O no hydrogen 2.823 N/A SER 306.A N HIS 313.A O no hydrogen 3.174 N/A SER 306.A OG GLU 282.A OE1 no hydrogen 2.998 N/A SER 306.A OG GLU 282.A OE2 no hydrogen 2.721 N/A ARG 308.A NE SER 306.A OG no hydrogen 3.181 N/A ARG 308.A NH2 GLU 282.A OE2 no hydrogen 2.659 N/A GLY 310.A N GLU 307.A O no hydrogen 2.809 N/A HIS 313.A N SER 306.A O no hydrogen 3.183 N/A HIS 313.A ND1 THR 328.A OG1 no hydrogen 2.709 N/A HIS 313.A NE2 GLY 330.A O no hydrogen 3.097 N/A LEU 314.A N THR 328.A OG1 no hydrogen 2.491 N/A TYR 315.A N TRP 304.A O no hydrogen 2.584 N/A VAL 316.A N THR 325.A O no hydrogen 2.954 N/A ALA 317.A N PHE 302.A O no hydrogen 2.588 N/A SER 318.A N THR 323.A O no hydrogen 3.269 N/A SER 318.A OG ASP 320.A O no hydrogen 3.142 N/A SER 318.A OG ASP 320.A OD1 no hydrogen 3.249 N/A SER 322.A N ASP 320.A O no hydrogen 2.777 N/A THR 323.A N SER 318.A OG no hydrogen 3.219 N/A THR 325.A N VAL 316.A O no hydrogen 2.819 N/A THR 325.A OG1 VAL 316.A O no hydrogen 3.299 N/A LEU 327.A N LEU 314.A O no hydrogen 2.703 N/A THR 328.A N LEU 314.A O no hydrogen 3.310 N/A THR 328.A OG1 HIS 313.A ND1 no hydrogen 2.709 N/A TRP 332.A N GLY 330.A O no hydrogen 3.101 N/A VAL 334.A N GLU 312.A O no hydrogen 2.876 N/A ASP 335.A N SER 350.A O no hydrogen 2.801 N/A LEU 337.A N ASP 293.A OD1 no hydrogen 3.020 N/A LEU 338.A N TYR 348.A O no hydrogen 2.989 N/A ALA 339.A N TYR 348.A O no hydrogen 3.419 N/A ASP 341.A N LEU 346.A O no hydrogen 3.080 N/A GLY 345.A N ASP 341.A O no hydrogen 2.947 N/A GLY 345.A N GLU 342.A O no hydrogen 2.681 N/A LEU 346.A N ASP 341.A O no hydrogen 3.158 N/A ALA 347.A N VAL 364.A O no hydrogen 2.818 N/A TYR 348.A N ALA 339.A O no hydrogen 2.727 N/A TYR 348.A OH ALA 410.A O no hydrogen 3.178 N/A VAL 349.A N TYR 362.A O no hydrogen 3.012 N/A SER 350.A N SER 336.A O no hydrogen 3.050 N/A SER 350.A OG ASP 335.A OD2 no hydrogen 3.475 N/A SER 350.A OG HIS 360.A O no hydrogen 3.293 N/A GLY 351.A N HIS 360.A O no hydrogen 3.065 N/A THR 352.A N VAL 333.A O no hydrogen 3.192 N/A ASP 354.A N TYR 362.A OH no hydrogen 3.259 N/A GLY 355.A N THR 352.A O no hydrogen 2.617 N/A ALA 359.A N GLY 379.A O no hydrogen 3.018 N/A HIS 360.A N GLY 351.A O no hydrogen 3.258 N/A HIS 360.A ND1 THR 375.A O no hydrogen 2.794 N/A HIS 360.A ND1 THR 375.A OG1 no hydrogen 2.939 N/A HIS 360.A NE2 GLU 358.A OE2 no hydrogen 2.992 N/A VAL 361.A N THR 375.A OG1 no hydrogen 2.955 N/A TYR 362.A N VAL 349.A O no hydrogen 2.726 N/A TYR 362.A OH ASP 354.A OD1 no hydrogen 2.590 N/A ALA 363.A N ARG 372.A O no hydrogen 2.821 N/A VAL 364.A N ALA 347.A O no hydrogen 2.886 N/A LEU 366.A N GLY 345.A O no hydrogen 3.465 N/A SER 367.A OG GLY 368.A O no hydrogen 2.854 N/A ARG 372.A N ALA 363.A O no hydrogen 2.824 N/A LEU 374.A N VAL 361.A O no hydrogen 2.710 N/A THR 375.A OG1 HIS 360.A ND1 no hydrogen 2.939 N/A GLY 379.A N GLU 358.A OE2 no hydrogen 3.339 N/A MET 380.A N SER 397.A O no hydrogen 3.083 N/A HIS 381.A N ALA 359.A O no hydrogen 3.106 N/A HIS 381.A ND1 ASP 394.A OD2 no hydrogen 2.361 N/A HIS 381.A NE2 ALA 377.A O no hydrogen 2.926 N/A ALA 382.A N ASP 394.A OD1 no hydrogen 3.365 N/A THR 384.A N VAL 393.A O no hydrogen 2.939 N/A ALA 386.A N VAL 391.A O no hydrogen 2.914 N/A ALA 389.A N ALA 386.A O no hydrogen 2.671 N/A SER 390.A OG ASN 388.A OD1 no hydrogen 2.698 N/A PHE 392.A N PHE 408.A O no hydrogen 2.930 N/A VAL 393.A N THR 384.A O no hydrogen 2.764 N/A ASP 394.A N GLU 406.A O no hydrogen 2.666 N/A TRP 396.A N GLN 404.A O no hydrogen 3.145 N/A SER 397.A N MET 380.A O no hydrogen 3.216 N/A SER 398.A N THR 401.A O no hydrogen 2.976 N/A SER 398.A OG THR 401.A OG1 no hydrogen 3.169 N/A THR 400.A N SER 398.A OG no hydrogen 2.897 N/A THR 401.A N SER 398.A OG no hydrogen 2.872 N/A THR 401.A OG1 SER 398.A OG no hydrogen 3.169 N/A GLN 404.A N TRP 396.A O no hydrogen 2.984 N/A GLN 404.A NE2 LEU 402.A O no hydrogen 2.838 N/A GLN 404.A NE2 ASN 421.A O no hydrogen 3.297 N/A GLU 406.A N ASP 394.A O no hydrogen 2.728 N/A LEU 407.A N ALA 416.A O no hydrogen 2.955 N/A PHE 408.A N PHE 392.A O no hydrogen 2.912 N/A LYS 409.A N THR 413.A O no hydrogen 3.097 N/A ALA 410.A N SER 390.A O no hydrogen 3.094 N/A GLY 412.A N LYS 409.A O no hydrogen 2.757 N/A THR 413.A OG1 ASP 411.A OD1 no hydrogen 3.199 N/A THR 413.A OG1 ASP 411.A OD2 no hydrogen 2.746 N/A LYS 414.A NZ GLU 406.A OE2 no hydrogen 3.248 N/A LYS 414.A NZ THR 417.A OG1 no hydrogen 3.372 N/A LEU 415.A N LEU 407.A O no hydrogen 2.846 N/A ALA 416.A N LEU 407.A O no hydrogen 3.282 N/A THR 417.A OG1 GLU 406.A OE2 no hydrogen 3.504 N/A LEU 418.A N ILE 405.A O no hydrogen 3.031 N/A ASN 421.A ND2 SER 15.A O no hydrogen 2.791 N/A ASN 421.A ND2 PRO 403.A O no hydrogen 2.707 N/A SER 424.A N ASP 422.A OD1 no hydrogen 3.013 N/A SER 424.A OG ASP 422.A OD1 no hydrogen 2.695 N/A SER 424.A OG ASP 422.A OD2 no hydrogen 2.994 N/A ASP 425.A N ASP 422.A O no hydrogen 3.080 N/A THR 427.A N ASP 425.A OD1 no hydrogen 2.693 N/A THR 427.A OG1 ASP 425.A OD1 no hydrogen 2.919 N/A HIS 428.A N ASP 425.A O no hydrogen 3.331 N/A HIS 428.A NE2 ASN 421.A OD1 no hydrogen 2.717 N/A TYR 430.A N HIS 428.A ND1 no hydrogen 3.068 N/A TYR 430.A OH HIS 437.A ND1 no hydrogen 2.656 N/A ALA 431.A N HIS 428.A O no hydrogen 3.240 N/A TYR 433.A N TYR 430.A O no hydrogen 3.074 N/A ARG 434.A N ALA 431.A O no hydrogen 3.410 N/A ARG 434.A NH2 THR 400.A O no hydrogen 3.183 N/A HIS 437.A N ARG 434.A O no hydrogen 3.142 N/A HIS 437.A ND1 TYR 430.A OH no hydrogen 2.656 N/A GLN 438.A N GLN 499.A OE1 no hydrogen 2.817 N/A GLN 438.A NE2 LYS 460.A O no hydrogen 3.231 N/A ALA 441.A N LEU 458.A O no hydrogen 3.099 N/A TYR 442.A OH THR 486.A O no hydrogen 2.925 N/A GLY 443.A N TYR 456.A O no hydrogen 3.151 N/A LEU 445.A N LEU 454.A O no hydrogen 2.913 N/A ALA 447.A N THR 452.A O no hydrogen 2.967 N/A ALA 448.A N ASP 538.A OD1 no hydrogen 3.378 N/A THR 452.A OG1 ASP 449.A OD2 no hydrogen 2.687 N/A LEU 454.A N LEU 445.A O no hydrogen 2.682 N/A TYR 456.A N GLY 443.A O no hydrogen 3.083 N/A SER 457.A N THR 510.A O no hydrogen 2.873 N/A LEU 458.A N ALA 441.A O no hydrogen 2.969 N/A ILE 459.A N VAL 508.A O no hydrogen 2.890 N/A ASP 465.A N TYR 470.A OH no hydrogen 3.164 N/A LYS 467.A N ASP 465.A OD1 no hydrogen 3.160 N/A LYS 468.A N ASP 465.A O no hydrogen 3.286 N/A GLN 469.A NE2 ALA 550.A O no hydrogen 3.342 N/A TYR 470.A N PHE 551.A O no hydrogen 2.724 N/A VAL 472.A N ARG 556.A O no hydrogen 2.772 N/A VAL 473.A N VAL 507.A O no hydrogen 3.036 N/A VAL 474.A N GLY 558.A O no hydrogen 2.895 N/A PHE 475.A N PHE 509.A O no hydrogen 2.847 N/A VAL 476.A N TYR 560.A O no hydrogen 3.020 N/A GLN 483.A NE2 ALA 356.A O no hydrogen 2.897 N/A THR 484.A N ASP 512.A OD1 no hydrogen 2.941 N/A THR 484.A OG1 THR 510.A OG1 no hydrogen 3.083 N/A THR 484.A OG1 ASP 512.A OD1 no hydrogen 3.189 N/A VAL 485.A N ASP 512.A OD2 no hydrogen 2.916 N/A ARG 487.A N THR 357.A O no hydrogen 2.907 N/A ARG 487.A NH1 ASP 399.A OD1 no hydrogen 3.387 N/A TRP 489.A N SER 397.A OG no hydrogen 2.864 N/A GLY 491.A N SER 495.A OG no hydrogen 3.392 N/A SER 493.A OG TYR 682.A OH no hydrogen 3.234 N/A SER 495.A N ARG 492.A O no hydrogen 3.234 N/A PHE 497.A N SER 493.A O no hydrogen 2.731 N/A ASN 498.A N ASP 494.A O no hydrogen 2.738 N/A GLN 499.A NE2 GLN 438.A O no hydrogen 3.042 N/A TYR 500.A N PHE 496.A O no hydrogen 3.026 N/A TYR 500.A OH GLU 686.A OE1 no hydrogen 3.141 N/A TYR 500.A OH GLU 686.A OE2 no hydrogen 2.498 N/A LEU 501.A N PHE 497.A O no hydrogen 2.913 N/A ALA 502.A N ASN 498.A O no hydrogen 3.227 N/A GLN 503.A N GLN 499.A O no hydrogen 3.181 N/A GLN 503.A NE2 GLN 499.A OE1 no hydrogen 2.752 N/A GLN 504.A N TYR 500.A O no hydrogen 2.879 N/A GLN 504.A N LEU 501.A O no hydrogen 3.084 N/A GLY 505.A N ALA 502.A O no hydrogen 3.200 N/A TYR 506.A N LEU 501.A O no hydrogen 3.272 N/A VAL 507.A N PRO 471.A O no hydrogen 2.922 N/A VAL 508.A N ILE 459.A O no hydrogen 3.014 N/A PHE 509.A N VAL 473.A O no hydrogen 3.009 N/A THR 510.A N SER 457.A O no hydrogen 3.252 N/A THR 510.A OG1 PHE 475.A O no hydrogen 2.499 N/A THR 510.A OG1 THR 484.A OG1 no hydrogen 3.083 N/A ASP 512.A N HIS 455.A O no hydrogen 3.039 N/A ASN 513.A ND2 GLY 478.A O no hydrogen 3.089 N/A ASN 513.A ND2 ARG 514.A O no hydrogen 3.252 N/A GLY 515.A N PHE 523.A O no hydrogen 2.864 N/A THR 516.A N ASN 513.A O no hydrogen 3.223 N/A THR 516.A OG1 ASN 513.A O no hydrogen 2.902 N/A ARG 518.A NE ASP 335.A OD1 no hydrogen 2.818 N/A ARG 518.A NE ASP 335.A OD2 no hydrogen 3.372 N/A ARG 518.A NH1 GLU 358.A O no hydrogen 3.224 N/A ARG 518.A NH1 GLN 483.A OE1 no hydrogen 2.824 N/A ARG 518.A NH2 ASP 335.A OD2 no hydrogen 3.193 N/A ARG 518.A NH2 GLU 358.A O no hydrogen 2.788 N/A ARG 519.A NH1 PRO 453.A O no hydrogen 3.316 N/A ARG 519.A NH2 PRO 453.A O no hydrogen 3.202 N/A GLY 524.A N GLY 520.A O no hydrogen 3.160 N/A GLY 525.A N ALA 521.A O no hydrogen 2.744 N/A TYR 528.A N GLY 525.A O no hydrogen 2.565 N/A TYR 528.A OH ASP 605.A OD2 no hydrogen 2.808 N/A GLY 529.A N TYR 603.A O no hydrogen 2.759 N/A LYS 530.A N LEU 527.A O no hydrogen 3.242 N/A THR 533.A N GLU 535.A OE1 no hydrogen 3.269 N/A THR 533.A OG1 LYS 530.A O no hydrogen 2.967 N/A ASP 537.A N THR 533.A O no hydrogen 2.997 N/A ASP 538.A N VAL 534.A O no hydrogen 3.012 N/A GLN 539.A N GLU 535.A O no hydrogen 2.866 N/A GLN 539.A NE2 LEU 511.A O no hydrogen 2.928 N/A GLN 539.A NE2 ASN 513.A OD1 no hydrogen 2.879 N/A LEU 540.A N VAL 536.A O no hydrogen 3.028 N/A ARG 541.A N ASP 537.A O no hydrogen 2.985 N/A GLY 542.A N ASP 538.A O no hydrogen 2.795 N/A ILE 543.A N GLN 539.A O no hydrogen 2.827 N/A GLU 544.A N LEU 540.A O no hydrogen 2.785 N/A TRP 545.A N ARG 541.A O no hydrogen 2.913 N/A LEU 546.A N GLY 542.A O no hydrogen 2.766 N/A LYS 547.A N ILE 543.A O no hydrogen 2.968 N/A SER 548.A N TRP 545.A O no hydrogen 3.281 N/A SER 548.A OG GLU 544.A O no hydrogen 3.011 N/A SER 548.A OG TRP 545.A O no hydrogen 2.963 N/A VAL 552.A N GLN 549.A O no hydrogen 3.133 N/A ASP 553.A N TYR 470.A O no hydrogen 3.156 N/A ALA 555.A N ASP 553.A OD1 no hydrogen 3.113 N/A ARG 556.A N ASP 553.A O no hydrogen 2.933 N/A ARG 556.A NE ASP 553.A OD2 no hydrogen 3.038 N/A ARG 556.A NH1 LEU 693.A O no hydrogen 2.702 N/A GLY 558.A N VAL 472.A O no hydrogen 2.727 N/A VAL 559.A N CYS 582.A O no hydrogen 2.941 N/A TYR 560.A N VAL 474.A O no hydrogen 2.906 N/A GLY 561.A N VAL 584.A O no hydrogen 3.396 N/A TRP 562.A NE1 HIS 671.A O no hydrogen 2.754 N/A SER 563.A N GLY 586.A O no hydrogen 2.954 N/A SER 563.A OG HIS 671.A NE2 no hydrogen 3.306 N/A ASN 564.A ND2 TYR 477.A O no hydrogen 3.008 N/A GLY 565.A N TRP 562.A O no hydrogen 3.162 N/A TYR 567.A OH ALA 617.A O no hydrogen 2.705 N/A MET 568.A N ASN 564.A O no hydrogen 2.751 N/A THR 569.A N GLY 565.A O no hydrogen 3.043 N/A THR 569.A OG1 GLY 565.A O no hydrogen 2.913 N/A LEU 570.A N GLY 566.A O no hydrogen 2.970 N/A MET 571.A N TYR 567.A O no hydrogen 2.983 N/A LEU 572.A N MET 568.A O no hydrogen 3.034 N/A LEU 573.A N THR 569.A O no hydrogen 3.247 N/A ALA 574.A N LEU 570.A O no hydrogen 2.852 N/A LYS 575.A N MET 571.A O no hydrogen 2.802 N/A LYS 575.A NZ GLY 532.A O no hydrogen 2.955 N/A LYS 575.A NZ GLU 616.A OE2 no hydrogen 3.398 N/A HIS 576.A N LEU 572.A O no hydrogen 2.979 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 3.105 N/A ALA 579.A N HIS 576.A O no hydrogen 2.704 N/A ALA 581.A N ILE 557.A O no hydrogen 2.744 N/A GLY 583.A N LYS 630.A O no hydrogen 2.908 N/A VAL 584.A N VAL 559.A O no hydrogen 3.032 N/A ALA 585.A N LEU 632.A O no hydrogen 3.059 N/A GLY 586.A N GLY 561.A O no hydrogen 3.021 N/A ALA 587.A N ILE 634.A O no hydrogen 2.894 N/A VAL 589.A N SER 563.A O no hydrogen 3.186 N/A THR 590.A N ASN 646.A OD1 no hydrogen 2.633 N/A THR 590.A OG1 ASN 646.A O no hydrogen 2.911 N/A ALA 593.A N ASP 591.A OD1 no hydrogen 3.467 N/A LEU 594.A N ASP 591.A O no hydrogen 3.306 N/A TYR 595.A N TRP 592.A O no hydrogen 3.066 N/A ASP 596.A N TYR 205.A OH no hydrogen 3.026 N/A THR 597.A N PRO 206.A O no hydrogen 2.703 N/A THR 597.A OG1 PRO 206.A O no hydrogen 3.438 N/A THR 597.A OG1 ASN 212.A OD1 no hydrogen 2.941 N/A HIS 598.A NE2 GLN 257.A OE1 no hydrogen 2.971 N/A TYR 599.A N ASP 596.A OD1 no hydrogen 2.911 N/A THR 600.A N ASP 596.A O no hydrogen 3.028 N/A THR 600.A OG1 TYR 595.A O no hydrogen 2.225 N/A THR 600.A OG1 ASP 596.A O no hydrogen 2.724 N/A GLU 601.A N THR 597.A O no hydrogen 3.031 N/A ARG 602.A NE GLN 261.A OE1 no hydrogen 3.103 N/A ARG 602.A NH2 GLU 159.A O no hydrogen 3.316 N/A ARG 602.A NH2 HIS 598.A ND1 no hydrogen 2.906 N/A ARG 602.A NH2 HIS 598.A O no hydrogen 3.459 N/A TYR 603.A N THR 600.A O no hydrogen 2.788 N/A MET 604.A N THR 600.A O no hydrogen 2.740 N/A ASP 605.A N GLU 601.A O no hydrogen 2.782 N/A LEU 606.A N ASP 605.A OD1 no hydrogen 2.821 N/A ALA 609.A N LEU 606.A O no hydrogen 3.147 N/A ASN 610.A N PRO 607.A O no hydrogen 2.956 N/A ASN 610.A ND2 GLY 529.A O no hydrogen 2.731 N/A ASN 610.A ND2 MET 604.A O no hydrogen 2.666 N/A TYR 614.A N ASN 610.A O no hydrogen 3.055 N/A TYR 614.A OH ASP 605.A O no hydrogen 2.895 N/A ARG 615.A N GLU 611.A O no hydrogen 3.107 N/A GLU 616.A N ALA 612.A O no hydrogen 2.883 N/A ALA 617.A N GLY 613.A O no hydrogen 3.034 N/A SER 618.A N TYR 614.A O no hydrogen 2.798 N/A VAL 619.A N THR 590.A O no hydrogen 3.265 N/A THR 621.A OG1 ARG 615.A O no hydrogen 3.191 N/A HIS 622.A N VAL 619.A O no hydrogen 2.853 N/A HIS 622.A ND1 SER 618.A O no hydrogen 3.225 N/A HIS 622.A NE2 GLU 616.A OE2 no hydrogen 3.134 N/A GLY 629.A N PRO 660.A O no hydrogen 2.638 N/A LYS 630.A N GLY 627.A O no hydrogen 3.229 N/A LYS 630.A NZ ASP 577.A O no hydrogen 2.741 N/A LYS 630.A NZ ASP 577.A OD1 no hydrogen 3.138 N/A LYS 630.A NZ TYR 580.A O no hydrogen 2.955 N/A LEU 632.A N GLY 583.A O no hydrogen 2.919 N/A LEU 633.A N GLU 662.A O no hydrogen 2.813 N/A ILE 634.A N ALA 585.A O no hydrogen 2.875 N/A HIS 635.A N MET 664.A O no hydrogen 3.203 N/A HIS 635.A ND1 GLY 636.A O no hydrogen 2.927 N/A MET 637.A N TYR 666.A O no hydrogen 2.849 N/A ALA 638.A N ALA 669.A O no hydrogen 2.891 N/A ASN 641.A N ASP 639.A OD1 no hydrogen 3.177 N/A VAL 642.A N ASP 639.A OD1 no hydrogen 3.126 N/A PHE 644.A N GLU 192.A OE2 no hydrogen 3.136 N/A THR 645.A N GLU 192.A OE1 no hydrogen 3.342 N/A ASN 646.A N LEU 643.A O no hydrogen 3.099 N/A SER 647.A N PHE 644.A O no hydrogen 2.959 N/A THR 648.A N PHE 644.A O no hydrogen 2.892 N/A LYS 649.A N THR 645.A O no hydrogen 2.899 N/A MET 651.A N SER 647.A O no hydrogen 2.841 N/A GLU 653.A N LYS 649.A O no hydrogen 3.282 N/A LEU 654.A N LEU 650.A O no hydrogen 2.955 N/A GLN 655.A N MET 651.A O no hydrogen 2.934 N/A LYS 656.A N SER 652.A O no hydrogen 2.929 N/A ARG 657.A N GLU 653.A O no hydrogen 3.095 N/A ARG 657.A NE ASP 624.A OD2 no hydrogen 3.079 N/A THR 659.A N LEU 654.A O no hydrogen 3.069 N/A GLU 662.A N LEU 631.A O no hydrogen 3.021 N/A MET 664.A N LEU 633.A O no hydrogen 2.967 N/A TYR 666.A N HIS 635.A O no hydrogen 3.206 N/A TYR 666.A OH HIS 680.A ND1 no hydrogen 2.921 N/A ALA 669.A N TYR 666.A O no hydrogen 3.345 N/A LYS 670.A NZ ALA 638.A O no hydrogen 3.425 N/A LYS 670.A NZ ASP 640.A OD2 no hydrogen 2.929 N/A HIS 671.A ND1 ASP 639.A OD2 no hydrogen 2.951 N/A LEU 678.A N ARG 674.A O no hydrogen 3.462 N/A LEU 679.A N GLY 675.A O no hydrogen 2.911 N/A HIS 680.A N SER 676.A O no hydrogen 2.930 N/A HIS 680.A ND1 TYR 666.A OH no hydrogen 2.921 N/A ARG 681.A N ASP 677.A O no hydrogen 2.778 N/A ARG 681.A NH1 ASP 494.A OD1 no hydrogen 2.973 N/A ARG 681.A NH2 ASP 494.A OD1 no hydrogen 2.954 N/A TYR 682.A N LEU 678.A O no hydrogen 2.962 N/A TYR 682.A OH ASP 494.A OD1 no hydrogen 2.616 N/A ARG 683.A N LEU 679.A O no hydrogen 2.680 N/A LEU 684.A N HIS 680.A O no hydrogen 2.888 N/A THR 685.A N ARG 681.A O no hydrogen 3.043 N/A THR 685.A OG1 ARG 681.A O no hydrogen 2.933 N/A GLU 686.A N TYR 682.A O no hydrogen 3.066 N/A ASP 687.A N ARG 683.A O no hydrogen 3.046 N/A PHE 688.A N LEU 684.A O no hydrogen 2.949 N/A PHE 689.A N THR 685.A O no hydrogen 3.151 N/A ALA 690.A N GLU 686.A O no hydrogen 2.838 N/A ARG 691.A N ASP 687.A O no hydrogen 3.178 N/A ARG 691.A NH2 GLU 662.A OE2 no hydrogen 3.523 N/A CYS 692.A N PHE 688.A O no hydrogen 3.334 N/A LEU 693.A N PHE 689.A O no hydrogen 2.789 N/A LYS 694.A N ALA 690.A O no hydrogen 2.672 N/A