Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vps_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLU 486.A OE2 no hydrogen 3.155 N/A ARG 5.A N GLU 486.A OE1 no hydrogen 2.789 N/A ARG 5.A NH1 ARG 440.A O no hydrogen 3.146 N/A ARG 5.A NH2 ARG 440.A O no hydrogen 3.261 N/A ARG 5.A NH2 ASN 441.A OD1 no hydrogen 3.274 N/A VAL 8.A N TYR 308.A O no hydrogen 3.087 N/A SER 9.A OG ASN 11.A O no hydrogen 3.207 N/A PHE 10.A N GLN 310.A O no hydrogen 3.396 N/A ASN 11.A N SER 9.A OG no hydrogen 2.844 N/A LYS 12.A NZ SER 9.A O no hydrogen 3.338 N/A LYS 12.A NZ ASN 379.A O no hydrogen 2.498 N/A ILE 16.A N PHE 150.A O no hydrogen 2.957 N/A GLY 19.A N SER 33.A O no hydrogen 2.868 N/A ALA 20.A N PRO 17.A O no hydrogen 2.936 N/A GLN 22.A N ALA 31.A O no hydrogen 2.730 N/A GLN 22.A NE2 TYR 32.A O no hydrogen 3.304 N/A GLN 22.A NE2 ARG 149.A O no hydrogen 3.697 N/A ALA 25.A N VAL 29.A O no hydrogen 2.791 N/A GLY 28.A N ALA 25.A O no hydrogen 2.898 N/A VAL 29.A N ALA 25.A O no hydrogen 3.184 N/A ALA 31.A N GLY 23.A O no hydrogen 2.781 N/A TYR 32.A N GLN 146.A OE1 no hydrogen 2.697 N/A SER 33.A N ALA 20.A O no hydrogen 3.041 N/A SER 33.A OG ILE 16.A O no hydrogen 2.671 N/A SER 33.A OG PRO 17.A O no hydrogen 3.415 N/A ASN 34.A ND2 TYR 39.A O no hydrogen 2.973 N/A ASN 34.A ND2 ASN 147.A OD1 no hydrogen 2.968 N/A LYS 35.A N SER 33.A OG no hydrogen 3.133 N/A HIS 36.A N ASN 34.A O no hydrogen 2.690 N/A HIS 36.A ND1 ASP 37.A O no hydrogen 2.669 N/A HIS 36.A NE2 ASP 566.A OD1 no hydrogen 3.151 N/A HIS 36.A NE2 ASP 566.A OD2 no hydrogen 3.010 N/A HIS 38.A ND1 GLU 603.A O no hydrogen 2.878 N/A TYR 39.A N HIS 36.A O no hydrogen 3.311 N/A SER 41.A OG LYS 55.A O no hydrogen 2.742 N/A GLU 43.A N SER 41.A OG no hydrogen 3.045 N/A ARG 44.A NH1 GLU 259.A OE1 no hydrogen 3.209 N/A ARG 44.A NH1 GLU 259.A OE2 no hydrogen 3.229 N/A ASN 45.A N GLY 53.A O no hydrogen 2.771 N/A ASN 45.A ND2 GLU 60.A OE2 no hydrogen 2.679 N/A GLU 47.A N ILE 50.A O no hydrogen 3.371 N/A ILE 50.A N GLU 47.A O no hydrogen 2.786 N/A PHE 52.A N ASN 45.A O no hydrogen 2.844 N/A LYS 55.A N GLU 43.A O no hydrogen 2.745 N/A GLN 57.A N PHE 54.A O no hydrogen 2.909 N/A GLN 57.A NE2 ALA 600.A O no hydrogen 3.396 N/A CYS 58.A N GLU 603.A OE2 no hydrogen 3.079 N/A CYS 58.A SG HIS 129.A ND1 no hydrogen 3.583 N/A CYS 58.A SG GLU 603.A OE1 no hydrogen 3.469 N/A CYS 58.A SG GLU 603.A OE2 no hydrogen 2.794 N/A PHE 61.A N GLN 57.A O no hydrogen 3.353 N/A ALA 62.A N CYS 58.A O no hydrogen 3.127 N/A ARG 63.A N VAL 59.A O no hydrogen 2.838 N/A ARG 63.A NE LEU 74.A O no hydrogen 2.748 N/A ARG 63.A NH1 PHE 52.A O no hydrogen 3.040 N/A ARG 63.A NH2 PRO 75.A O no hydrogen 2.896 N/A ARG 64.A N GLU 60.A O no hydrogen 3.040 N/A ARG 64.A NE GLU 60.A OE2 no hydrogen 2.738 N/A ARG 64.A NH1 PRO 30.A O no hydrogen 3.139 N/A ARG 64.A NH1 GLU 60.A OE1 no hydrogen 3.070 N/A ARG 64.A NH2 PRO 30.A O no hydrogen 2.930 N/A TRP 65.A N PHE 61.A O no hydrogen 2.720 N/A LEU 66.A N ALA 62.A O no hydrogen 2.873 N/A LEU 67.A N ARG 63.A O no hydrogen 3.193 N/A VAL 68.A N ARG 64.A O no hydrogen 3.177 N/A ARG 69.A N TRP 65.A O no hydrogen 2.896 N/A ARG 69.A NE ASP 114.A OD1 no hydrogen 3.315 N/A ARG 69.A NH1 ASP 114.A OD1 no hydrogen 3.474 N/A LYS 70.A N LEU 66.A O no hydrogen 2.935 N/A LYS 70.A NZ ARG 193.A O no hydrogen 3.011 N/A LYS 70.A NZ ASN 195.A OD1 no hydrogen 2.411 N/A GLY 71.A N LEU 67.A O no hydrogen 2.832 N/A LEU 72.A N LEU 66.A O no hydrogen 3.504 N/A LEU 73.A N ARG 90.A O no hydrogen 2.601 N/A CYS 81.A N VAL 127.A O no hydrogen 3.049 N/A CYS 81.A SG VAL 127.A O no hydrogen 3.100 N/A HIS 82.A N TRP 79.A O no hydrogen 2.918 N/A ILE 83.A N ALA 80.A O no hydrogen 2.935 N/A PHE 84.A N CYS 81.A O no hydrogen 3.270 N/A GLN 85.A N HIS 82.A O no hydrogen 2.986 N/A LEU 86.A N ILE 83.A O no hydrogen 3.005 N/A VAL 89.A N PHE 98.A O no hydrogen 2.844 N/A ARG 90.A N LEU 73.A O no hydrogen 3.138 N/A ASP 91.A N GLU 96.A O no hydrogen 3.270 N/A ALA 92.A N GLY 71.A O no hydrogen 3.026 N/A ALA 93.A N ASP 91.A OD2 no hydrogen 2.977 N/A THR 94.A N ASP 91.A OD2 no hydrogen 2.942 N/A THR 95.A N ASP 91.A O no hydrogen 2.942 N/A THR 95.A OG1 THR 94.A O no hydrogen 2.428 N/A GLU 96.A N THR 94.A OG1 no hydrogen 2.901 N/A PHE 98.A N VAL 89.A O no hydrogen 2.912 N/A VAL 100.A N LYS 87.A O no hydrogen 3.158 N/A LEU 101.A N THR 189.A O no hydrogen 3.025 N/A VAL 103.A N TRP 187.A O no hydrogen 3.004 N/A ASN 105.A N LEU 185.A O no hydrogen 2.649 N/A ASN 105.A ND2 ILE 172.A O no hydrogen 2.889 N/A ASN 105.A ND2 PRO 184.A O no hydrogen 2.904 N/A GLY 106.A N TRP 170.A O no hydrogen 2.792 N/A THR 107.A OG1 ARG 104.A O no hydrogen 3.328 N/A THR 109.A N THR 107.A OG1 no hydrogen 3.231 N/A LYS 110.A NZ GLY 137.A O no hydrogen 3.298 N/A ASP 114.A N ILE 133.A O no hydrogen 2.788 N/A LEU 116.A N LEU 188.A O no hydrogen 3.064 N/A VAL 118.A N GLY 186.A O no hydrogen 3.078 N/A TYR 119.A N HIS 129.A O no hydrogen 2.839 N/A TYR 119.A OH ASP 174.A OD2 no hydrogen 2.930 N/A SER 121.A OG PRO 126.A O no hydrogen 2.328 N/A THR 122.A N ASN 125.A O no hydrogen 2.925 N/A THR 122.A OG1 ASN 125.A O no hydrogen 3.315 N/A ALA 124.A N THR 122.A OG1 no hydrogen 3.221 N/A ASN 125.A N THR 122.A O no hydrogen 3.026 N/A ASN 125.A N THR 122.A OG1 no hydrogen 2.513 N/A HIS 129.A NE2 ASP 145.A OD2 no hydrogen 2.641 N/A GLY 131.A N LEU 117.A O no hydrogen 2.921 N/A THR 132.A N ALA 144.A O no hydrogen 2.799 N/A ILE 133.A N ALA 115.A O no hydrogen 2.898 N/A THR 134.A N CYS 142.A O no hydrogen 3.099 N/A GLY 137.A N TYR 140.A O no hydrogen 2.823 N/A TYR 140.A OH GLU 135.A OE2 no hydrogen 2.470 N/A VAL 141.A N LEU 161.A O no hydrogen 3.089 N/A CYS 142.A N GLU 135.A O no hydrogen 2.936 N/A VAL 143.A N TYR 159.A O no hydrogen 2.887 N/A ALA 144.A N THR 132.A O no hydrogen 2.813 N/A GLN 146.A NE2 GLN 57.A O no hydrogen 2.926 N/A GLN 146.A NE2 GLU 60.A OE1 no hydrogen 2.697 N/A ASN 147.A ND2 GLU 603.A OE2 no hydrogen 3.226 N/A TYR 148.A OH GLU 182.A OE1 no hydrogen 2.400 N/A ARG 149.A NH1 ASP 174.A OD2 no hydrogen 3.563 N/A ARG 149.A NH2 ASP 174.A OD1 no hydrogen 3.439 N/A HIS 151.A ND1 LYS 152.A O no hydrogen 3.185 N/A TRP 153.A N GLN 22.A O no hydrogen 2.818 N/A CYS 157.A SG TYR 159.A O no hydrogen 3.826 N/A ALA 158.A N VAL 143.A O no hydrogen 2.605 N/A TYR 159.A N VAL 143.A O no hydrogen 3.403 N/A TYR 159.A OH ASP 145.A OD2 no hydrogen 2.639 N/A LEU 161.A N VAL 141.A O no hydrogen 2.912 N/A LYS 162.A NZ ASP 175.A OD1 no hydrogen 3.258 N/A LYS 162.A NZ ASP 175.A OD2 no hydrogen 2.828 N/A LEU 163.A N ASP 139.A O no hydrogen 3.135 N/A ASP 164.A N THR 171.A O no hydrogen 2.960 N/A ARG 166.A N ILE 169.A O no hydrogen 3.387 N/A ARG 166.A NE ASP 164.A OD1 no hydrogen 3.362 N/A ARG 166.A NE ASP 164.A OD2 no hydrogen 3.425 N/A ARG 166.A NH2 ASP 164.A OD1 no hydrogen 2.940 N/A ILE 169.A N ARG 166.A O no hydrogen 3.132 N/A TRP 170.A N THR 107.A O no hydrogen 2.834 N/A THR 171.A N ASP 164.A O no hydrogen 3.093 N/A ILE 172.A N ASN 105.A OD1 no hydrogen 2.973 N/A ILE 173.A N LYS 162.A O no hydrogen 3.031 N/A ASP 174.A N GLU 182.A O no hydrogen 3.089 N/A ILE 176.A N ASP 174.A OD1 no hydrogen 3.397 N/A GLU 180.A N ASP 177.A O no hydrogen 2.918 N/A GLU 182.A N ASP 174.A O no hydrogen 3.251 N/A LEU 185.A N VAL 118.A O no hydrogen 3.017 N/A TRP 187.A N VAL 103.A O no hydrogen 2.863 N/A LEU 188.A N LEU 116.A O no hydrogen 3.069 N/A THR 189.A N LEU 101.A O no hydrogen 3.012 N/A THR 189.A OG1 LEU 101.A O no hydrogen 3.497 N/A ARG 193.A N PHE 190.A O no hydrogen 3.180 N/A ARG 193.A NH1 ASP 91.A OD1 no hydrogen 2.700 N/A ARG 193.A NH2 LYS 70.A O no hydrogen 2.851 N/A ARG 193.A NH2 GLY 71.A O no hydrogen 3.478 N/A ARG 193.A NH2 ASP 91.A OD1 no hydrogen 3.115 N/A ASN 195.A ND2 ASP 114.A OD2 no hydrogen 2.736 N/A ARG 196.A N ARG 69.A O no hydrogen 2.822 N/A ARG 196.A NH2 PRO 201.A O no hydrogen 2.893 N/A ALA 200.A N PRO 197.A O no hydrogen 3.021 N/A HIS 206.A N ALA 92.A O no hydrogen 2.883 N/A SER 208.A N HIS 206.A ND1 no hydrogen 3.128 N/A SER 208.A OG HIS 206.A ND1 no hydrogen 2.917 N/A LEU 209.A N HIS 206.A O no hydrogen 2.826 N/A HIS 210.A N PRO 207.A O no hydrogen 2.856 N/A PHE 211.A N ASN 49.A O no hydrogen 2.779 N/A LYS 216.A NZ ASN 323.A O no hydrogen 2.813 N/A TYR 218.A N ASN 257.A OD1 no hydrogen 3.116 N/A TYR 218.A OH GLU 255.A OE2 no hydrogen 3.418 N/A LEU 219.A N ASN 323.A OD1 no hydrogen 3.228 N/A LEU 220.A N GLU 255.A O no hydrogen 2.699 N/A ARG 221.A N GLN 552.A OE1 no hydrogen 2.802 N/A ARG 221.A NE GLU 575.A OE2 no hydrogen 2.943 N/A ARG 221.A NH1 GLU 575.A OE1 no hydrogen 2.795 N/A ARG 221.A NH2 ASP 553.A OD2 no hydrogen 3.340 N/A ARG 222.A N TYR 253.A O no hydrogen 2.856 N/A ASN 223.A ND2 ASP 553.A OD2 no hydrogen 3.328 N/A PHE 224.A N VAL 251.A O no hydrogen 2.874 N/A LYS 230.A N SER 354.A O no hydrogen 3.309 N/A ASP 235.A N GLU 241.A OE1 no hydrogen 3.056 N/A ASN 238.A ND2 GLU 241.A OE2 no hydrogen 2.824 N/A ARG 242.A N ASN 238.A O no hydrogen 3.149 N/A ARG 242.A NH1 GLU 246.A OE2 no hydrogen 3.323 N/A LEU 243.A N PRO 239.A O no hydrogen 3.160 N/A PHE 244.A N ALA 240.A O no hydrogen 3.279 N/A VAL 245.A N GLU 241.A O no hydrogen 3.442 N/A GLU 246.A N ARG 242.A O no hydrogen 3.113 N/A GLU 247.A N PHE 244.A O no hydrogen 3.074 N/A PHE 248.A N PHE 244.A O no hydrogen 2.918 N/A VAL 251.A N PHE 224.A O no hydrogen 2.866 N/A TYR 253.A N ARG 222.A O no hydrogen 3.268 N/A TYR 254.A N ALA 589.A O no hydrogen 2.705 N/A TYR 254.A OH GLU 575.A OE2 no hydrogen 2.596 N/A GLU 255.A N LEU 220.A O no hydrogen 2.694 N/A SER 256.A N ARG 591.A O no hydrogen 2.808 N/A SER 256.A OG ASN 257.A O no hydrogen 3.317 N/A ASN 257.A N TYR 218.A O no hydrogen 3.101 N/A ASN 257.A ND2 LYS 216.A O no hydrogen 2.775 N/A PHE 260.A N ASN 257.A OD1 no hydrogen 2.806 N/A HIS 261.A N ASN 257.A O no hydrogen 3.300 N/A LEU 262.A N HIS 258.A O no hydrogen 2.984 N/A ARG 263.A N GLU 259.A O no hydrogen 2.828 N/A ARG 263.A NH2 GLY 326.A O no hydrogen 3.397 N/A CYS 264.A N PHE 260.A O no hydrogen 3.144 N/A CYS 264.A SG PHE 260.A O no hydrogen 3.275 N/A VAL 265.A N HIS 261.A O no hydrogen 3.136 N/A ALA 266.A N LEU 262.A O no hydrogen 2.969 N/A TYR 267.A N ARG 263.A O no hydrogen 3.013 N/A GLY 268.A N CYS 264.A O no hydrogen 2.784 N/A THR 269.A N VAL 265.A O no hydrogen 2.939 N/A THR 269.A OG1 VAL 265.A O no hydrogen 3.242 N/A GLN 270.A N ALA 266.A O no hydrogen 3.092 N/A GLN 270.A NE2 GLU 43.A OE2 no hydrogen 2.684 N/A LEU 271.A N TYR 267.A O no hydrogen 2.799 N/A HIS 272.A N GLY 268.A O no hydrogen 2.885 N/A HIS 272.A ND1 TYR 333.A OH no hydrogen 2.563 N/A HIS 272.A NE2 TYR 312.A OH no hydrogen 2.759 N/A ALA 273.A N THR 269.A O no hydrogen 3.141 N/A ILE 274.A N GLN 270.A O no hydrogen 2.918 N/A PHE 275.A N LEU 271.A O no hydrogen 2.736 N/A MET 276.A N HIS 272.A O no hydrogen 3.018 N/A GLU 277.A N ALA 273.A O no hydrogen 2.927 N/A ALA 278.A N ILE 274.A O no hydrogen 3.022 N/A THR 279.A N PHE 275.A O no hydrogen 2.736 N/A THR 279.A OG1 PHE 275.A O no hydrogen 2.833 N/A ALA 280.A N MET 276.A O no hydrogen 2.888 N/A GLN 281.A N GLU 277.A O no hydrogen 3.095 N/A VAL 282.A N ALA 278.A O no hydrogen 3.078 N/A ILE 283.A N THR 279.A O no hydrogen 3.165 N/A GLU 284.A N ALA 280.A O no hydrogen 3.099 N/A SER 285.A N VAL 282.A O no hydrogen 3.098 N/A LYS 288.A N SER 285.A OG no hydrogen 3.045 N/A LEU 289.A N SER 285.A O no hydrogen 3.036 N/A ARG 290.A N ASP 286.A O no hydrogen 3.195 N/A LEU 291.A N GLU 287.A O no hydrogen 2.991 N/A PHE 292.A N LYS 288.A O no hydrogen 2.991 N/A ALA 293.A N ARG 290.A O no hydrogen 2.992 N/A ILE 294.A N LEU 289.A O no hydrogen 3.176 N/A PHE 298.A N PRO 295.A O no hydrogen 2.918 N/A TRP 299.A N GLU 296.A O no hydrogen 3.153 N/A TRP 299.A NE1 ILE 294.A O no hydrogen 3.040 N/A ARG 301.A NH1 GLY 482.A O no hydrogen 3.108 N/A ARG 301.A NH2 GLY 482.A O no hydrogen 3.345 N/A ILE 302.A N PHE 298.A O no hydrogen 2.920 N/A ARG 303.A N TRP 299.A O no hydrogen 2.844 N/A ARG 303.A NE ILE 283.A O no hydrogen 2.873 N/A ARG 303.A NH1 ASP 286.A OD1 no hydrogen 3.161 N/A ARG 303.A NH2 ILE 283.A O no hydrogen 3.166 N/A ARG 303.A NH2 ASP 286.A OD1 no hydrogen 2.904 N/A HIS 304.A N PRO 300.A O no hydrogen 2.926 N/A SER 305.A N ARG 301.A O no hydrogen 2.810 N/A TRP 306.A N ILE 302.A O no hydrogen 2.988 N/A LYS 307.A N ARG 303.A O no hydrogen 3.181 N/A TYR 308.A N HIS 304.A O no hydrogen 2.758 N/A TYR 308.A OH GLU 486.A O no hydrogen 2.463 N/A GLN 309.A N SER 305.A O no hydrogen 2.889 N/A GLN 310.A N VAL 8.A O no hydrogen 2.955 N/A GLN 310.A NE2 TRP 306.A O no hydrogen 2.511 N/A THR 311.A OG1 SER 380.A O no hydrogen 2.657 N/A TYR 312.A OH HIS 272.A NE2 no hydrogen 2.759 N/A ILE 313.A N GLU 491.A OE2 no hydrogen 2.835 N/A SER 314.A N GLU 491.A OE2 no hydrogen 2.862 N/A GLY 315.A N MET 563.A O no hydrogen 3.215 N/A ARG 316.A N ASN 334.A O no hydrogen 2.994 N/A ARG 316.A NE ASP 318.A OD1 no hydrogen 3.155 N/A ARG 316.A NH1 SER 339.A O no hydrogen 3.113 N/A ARG 316.A NH2 ASP 318.A OD2 no hydrogen 3.125 N/A PHE 317.A N GLY 561.A O no hydrogen 2.823 N/A ASP 318.A N GLU 332.A O no hydrogen 2.957 N/A PHE 319.A N ILE 559.A O no hydrogen 2.777 N/A ALA 320.A N LYS 329.A O no hydrogen 2.979 N/A ASN 322.A N GLU 327.A O no hydrogen 3.086 N/A ASN 323.A ND2 LEU 219.A O no hydrogen 2.722 N/A GLU 324.A N ASN 322.A OD1 no hydrogen 3.068 N/A THR 325.A N ASN 322.A OD1 no hydrogen 3.398 N/A THR 325.A OG1 GLU 327.A OE1 no hydrogen 2.851 N/A GLY 326.A N ASN 322.A O no hydrogen 2.897 N/A GLU 327.A N THR 325.A OG1 no hydrogen 3.261 N/A LYS 329.A N ALA 320.A O no hydrogen 3.079 N/A LYS 329.A NZ PRO 515.A O no hydrogen 2.961 N/A LYS 329.A NZ ILE 517.A O no hydrogen 3.027 N/A CYS 330.A N ALA 516.A O no hydrogen 2.794 N/A CYS 330.A SG GLU 332.A O no hydrogen 3.690 N/A PHE 331.A N ASP 318.A O no hydrogen 2.850 N/A TYR 333.A OH HIS 272.A ND1 no hydrogen 2.563 N/A ASN 334.A N ARG 316.A O no hydrogen 2.942 N/A ALA 335.A N SER 499.A OG no hydrogen 2.888 N/A SER 337.A OG THR 445.A O no hydrogen 3.251 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 2.770 N/A CYS 344.A N THR 340.A O no hydrogen 3.039 N/A GLY 345.A N LEU 341.A O no hydrogen 2.943 N/A ILE 347.A N LEU 342.A O no hydrogen 3.135 N/A GLN 348.A N GLU 343.A O no hydrogen 3.045 N/A GLN 348.A NE2 CYS 344.A O no hydrogen 3.125 N/A GLN 348.A NE2 THR 571.A O no hydrogen 3.418 N/A GLN 349.A NE2 GLU 353.A OE2 no hydrogen 2.682 N/A LYS 350.A N LEU 346.A O no hydrogen 3.058 N/A LYS 350.A NZ GLU 241.A OE1 no hydrogen 3.376 N/A TRP 351.A N ILE 347.A O no hydrogen 2.738 N/A ALA 352.A N GLN 348.A O no hydrogen 2.978 N/A GLU 353.A N GLN 349.A O no hydrogen 2.828 N/A SER 354.A N LYS 350.A O no hydrogen 3.133 N/A SER 354.A OG TRP 351.A O no hydrogen 2.435 N/A VAL 355.A N TRP 351.A O no hydrogen 3.139 N/A GLY 356.A N GLU 353.A O no hydrogen 3.058 N/A LEU 357.A N ALA 352.A O no hydrogen 2.672 N/A ARG 363.A N ILE 592.A O no hydrogen 2.968 N/A ARG 363.A NH1 ASP 602.A OD1 no hydrogen 3.480 N/A ARG 363.A NH1 ASP 602.A OD2 no hydrogen 3.156 N/A ARG 363.A NH2 ASP 602.A OD1 no hydrogen 3.533 N/A SER 365.A N VAL 590.A O no hydrogen 3.161 N/A SER 365.A OG THR 571.A O no hydrogen 2.750 N/A SER 365.A OG THR 571.A OG1 no hydrogen 2.595 N/A PHE 367.A N GLY 364.A O no hydrogen 3.052 N/A VAL 369.A N GLY 366.A O no hydrogen 3.158 N/A ASN 372.A N ALA 368.A O no hydrogen 2.984 N/A ASN 372.A N VAL 369.A O no hydrogen 3.038 N/A ASN 372.A ND2 SER 569.A OG no hydrogen 2.797 N/A LEU 373.A N VAL 369.A O no hydrogen 2.878 N/A LYS 374.A N GLU 370.A O no hydrogen 3.393 N/A LYS 374.A NZ GLU 370.A OE2 no hydrogen 2.570 N/A MET 375.A N ARG 371.A O no hydrogen 3.364 N/A ALA 376.A N ASN 372.A O no hydrogen 2.900 N/A TRP 377.A N LEU 373.A O no hydrogen 2.997 N/A ALA 378.A N LYS 374.A O no hydrogen 2.705 N/A ASN 379.A N MET 375.A O no hydrogen 3.152 N/A ASN 379.A ND2 MET 375.A O no hydrogen 2.712 N/A SER 380.A N TRP 377.A O no hydrogen 3.051 N/A SER 380.A OG TRP 377.A O no hydrogen 2.476 N/A ALA 382.A N SER 380.A OG no hydrogen 3.219 N/A ARG 385.A NE GLU 413.A OE1 no hydrogen 3.208 N/A ARG 385.A NH1 ASP 433.A OD2 no hydrogen 2.942 N/A ARG 385.A NH1 ASP 435.A OD2 no hydrogen 3.068 N/A ARG 385.A NH2 GLU 413.A OE1 no hydrogen 3.508 N/A ARG 385.A NH2 GLU 413.A OE2 no hydrogen 3.477 N/A VAL 386.A N GLU 413.A O no hydrogen 2.749 N/A HIS 387.A N ASN 441.A O no hydrogen 2.774 N/A HIS 387.A NE2 ASP 433.A OD2 no hydrogen 2.756 N/A PHE 388.A N LYS 415.A O no hydrogen 3.058 N/A CYS 389.A N TRP 443.A O no hydrogen 2.811 N/A CYS 389.A SG HIS 387.A O no hydrogen 3.618 N/A VAL 390.A N CYS 417.A O no hydrogen 3.025 N/A ASP 391.A N GLU 396.A OE1 no hydrogen 2.956 N/A GLU 392.A N ASP 391.A OD1 no hydrogen 2.588 N/A GLU 393.A N ASP 391.A O no hydrogen 2.629 N/A ARG 394.A NE GLU 246.A OE1 no hydrogen 3.480 N/A ARG 394.A NH1 GLU 247.A OE1 no hydrogen 3.124 N/A GLN 397.A N GLU 393.A O no hydrogen 3.234 N/A TYR 398.A N ARG 394.A O no hydrogen 3.006 N/A TYR 398.A OH GLU 343.A OE2 no hydrogen 3.224 N/A THR 399.A N GLU 395.A O no hydrogen 3.192 N/A THR 399.A OG1 GLU 395.A O no hydrogen 2.766 N/A ALA 400.A N GLU 396.A O no hydrogen 2.904 N/A LEU 401.A N GLN 397.A O no hydrogen 2.831 N/A TYR 402.A N TYR 398.A O no hydrogen 3.190 N/A CYS 403.A N THR 399.A O no hydrogen 3.449 N/A CYS 403.A SG THR 399.A O no hydrogen 3.291 N/A MET 404.A N ALA 400.A O no hydrogen 2.856 N/A GLN 405.A N LEU 401.A O no hydrogen 2.874 N/A ALA 406.A N TYR 402.A O no hydrogen 3.452 N/A ALA 407.A N CYS 403.A O no hydrogen 2.848 N/A GLU 408.A N MET 404.A O no hydrogen 2.625 N/A ALA 409.A N GLN 405.A O no hydrogen 2.975 N/A VAL 410.A N ALA 407.A O no hydrogen 3.052 N/A GLY 411.A N GLU 408.A O no hydrogen 3.435 N/A LEU 412.A N ALA 407.A O no hydrogen 3.245 N/A LYS 415.A N VAL 386.A O no hydrogen 3.250 N/A LYS 415.A NZ ASP 435.A OD2 no hydrogen 3.270 N/A CYS 417.A N PHE 388.A O no hydrogen 2.705 N/A CYS 417.A SG LYS 415.A O no hydrogen 3.265 N/A LEU 419.A N VAL 390.A O no hydrogen 2.881 N/A ARG 424.A N VAL 432.A O no hydrogen 2.913 N/A ASP 426.A N HIS 430.A O no hydrogen 3.002 N/A ASN 428.A N ASP 426.A OD1 no hydrogen 3.019 N/A GLY 429.A N ASP 426.A O no hydrogen 3.067 N/A HIS 430.A N ASP 426.A OD1 no hydrogen 3.008 N/A VAL 432.A N ARG 424.A O no hydrogen 2.821 N/A ASP 433.A N VAL 437.A O no hydrogen 3.019 N/A SER 434.A N GLU 422.A OE2 no hydrogen 2.506 N/A SER 434.A OG GLU 422.A OE1 no hydrogen 3.367 N/A SER 434.A OG GLU 422.A OE2 no hydrogen 2.772 N/A ASP 435.A N ASP 433.A OD1 no hydrogen 2.898 N/A GLY 436.A N ASP 433.A O no hydrogen 3.110 N/A VAL 437.A N ASP 433.A OD1 no hydrogen 3.182 N/A ARG 438.A NH2 ASP 484.A OD2 no hydrogen 2.863 N/A VAL 439.A N VAL 431.A O no hydrogen 3.075 N/A ARG 440.A NE THR 383.A O no hydrogen 3.120 N/A ARG 440.A NH2 THR 383.A O no hydrogen 3.160 N/A ASN 441.A ND2 THR 383.A O no hydrogen 2.830 N/A ASN 441.A ND2 ARG 385.A O no hydrogen 3.094 N/A VAL 442.A N LEU 488.A O no hydrogen 2.853 N/A TRP 443.A N HIS 387.A O no hydrogen 2.838 N/A LYS 444.A N PHE 490.A O no hydrogen 3.396 N/A LYS 444.A NZ ASP 336.A OD1 no hydrogen 3.354 N/A LYS 444.A NZ TRP 446.A O no hydrogen 3.022 N/A LYS 444.A NZ GLU 491.A O no hydrogen 3.517 N/A THR 445.A N CYS 389.A O no hydrogen 3.323 N/A THR 445.A OG1 GLU 396.A OE1 no hydrogen 2.772 N/A TRP 448.A N ASP 336.A OD2 no hydrogen 3.449 N/A TRP 448.A NE1 GLU 491.A O no hydrogen 2.812 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.489 N/A ALA 451.A N MET 447.A O no hydrogen 3.047 N/A ILE 452.A N TRP 448.A O no hydrogen 2.733 N/A THR 453.A N GLU 449.A O no hydrogen 2.852 N/A THR 453.A OG1 GLU 449.A O no hydrogen 2.966 N/A ASP 454.A N SER 450.A O no hydrogen 2.962 N/A TYR 455.A N ALA 451.A O no hydrogen 2.847 N/A TYR 455.A OH GLU 297.A OE2 no hydrogen 3.348 N/A TYR 456.A N ILE 452.A O no hydrogen 3.219 N/A ALA 457.A N THR 453.A O no hydrogen 2.889 N/A ALA 458.A N ASP 454.A O no hydrogen 2.771 N/A ARG 459.A N TYR 455.A O no hydrogen 3.053 N/A ARG 459.A N TYR 456.A O no hydrogen 3.257 N/A ARG 459.A NH1 GLU 297.A OE1 no hydrogen 2.962 N/A ARG 459.A NH1 GLU 297.A OE2 no hydrogen 3.282 N/A ARG 459.A NH2 GLU 297.A OE2 no hydrogen 2.765 N/A GLU 460.A N ALA 457.A O no hydrogen 3.410 N/A ARG 462.A N ALA 458.A O no hydrogen 3.463 N/A ARG 462.A NH2 ASP 478.A OD1 no hydrogen 3.136 N/A SER 469.A N ASP 472.A OD1 no hydrogen 2.751 N/A SER 469.A OG ASP 472.A OD1 no hydrogen 3.297 N/A ASP 472.A N SER 469.A O no hydrogen 2.847 N/A ARG 475.A N ASP 478.A OD2 no hydrogen 3.121 N/A ARG 475.A NE ASP 454.A OD1 no hydrogen 3.237 N/A ARG 475.A NE ASP 454.A OD2 no hydrogen 3.330 N/A ARG 475.A NH2 ASP 454.A OD1 no hydrogen 2.750 N/A CYS 477.A N ASP 454.A OD2 no hydrogen 2.849 N/A CYS 477.A SG ASP 454.A O no hydrogen 3.899 N/A CYS 477.A SG ASP 454.A OD2 no hydrogen 3.280 N/A ASP 478.A N ARG 475.A O no hydrogen 3.019 N/A LEU 479.A N ARG 475.A O no hydrogen 3.029 N/A LEU 480.A N LEU 476.A O no hydrogen 2.867 N/A LEU 481.A N CYS 477.A O no hydrogen 2.694 N/A GLU 486.A N ASP 484.A OD1 no hydrogen 3.192 N/A LEU 488.A N ARG 440.A O no hydrogen 3.019 N/A TYR 489.A OH LEU 479.A O no hydrogen 2.973 N/A PHE 490.A N VAL 442.A O no hydrogen 2.794 N/A TRP 494.A NE1 GLN 309.A O no hydrogen 2.709 N/A LYS 495.A N PRO 492.A O no hydrogen 2.898 N/A LYS 495.A NZ ALA 335.A O no hydrogen 2.936 N/A LYS 495.A NZ GLU 491.A OE1 no hydrogen 2.596 N/A VAL 496.A N MET 493.A O no hydrogen 3.311 N/A ILE 497.A N TRP 494.A O no hydrogen 3.068 N/A SER 499.A OG LYS 495.A O no hydrogen 3.078 N/A ASN 500.A N ILE 497.A O no hydrogen 2.849 N/A ALA 502.A N ASN 500.A OD1 no hydrogen 2.921 N/A ILE 503.A N ASN 500.A O no hydrogen 2.907 N/A LEU 504.A N LYS 501.A O no hydrogen 2.858 N/A MET 506.A N ILE 503.A O no hydrogen 3.121 N/A ILE 507.A N ILE 503.A O no hydrogen 2.981 N/A TYR 508.A N LEU 504.A O no hydrogen 3.209 N/A HIS 509.A N PRO 505.A O no hydrogen 3.062 N/A HIS 509.A NE2 GLU 521.A OE1 no hydrogen 2.763 N/A ASN 510.A N MET 506.A O no hydrogen 3.020 N/A HIS 511.A N ILE 507.A O no hydrogen 2.986 N/A HIS 511.A NE2 GLU 277.A OE1 no hydrogen 2.609 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.792 N/A HIS 514.A N HIS 511.A O no hydrogen 3.452 N/A HIS 514.A NE2 GLN 270.A OE1 no hydrogen 2.742 N/A ALA 516.A N HIS 514.A ND1 no hydrogen 3.144 N/A ILE 517.A N HIS 514.A O no hydrogen 2.963 N/A GLU 521.A N TYR 543.A O no hydrogen 2.787 N/A TYR 522.A OH ALA 502.A O no hydrogen 2.883 N/A LEU 528.A N THR 525.A OG1 no hydrogen 3.332 N/A ARG 529.A N THR 525.A O no hydrogen 2.957 N/A LYS 530.A N ASP 526.A O no hydrogen 3.244 N/A LYS 530.A N GLU 527.A O no hydrogen 3.053 N/A HIS 531.A N GLU 527.A O no hydrogen 2.887 N/A GLY 532.A N LEU 528.A O no hydrogen 2.818 N/A ALA 534.A N GLN 544.A O no hydrogen 2.729 N/A LYS 536.A N ILE 542.A O no hydrogen 2.918 N/A ILE 542.A N LYS 536.A O no hydrogen 3.113 N/A TYR 543.A N GLU 521.A O no hydrogen 2.798 N/A GLN 544.A N ALA 534.A O no hydrogen 2.961 N/A GLN 545.A N LYS 519.A O no hydrogen 2.957 N/A LEU 546.A N GLY 532.A O no hydrogen 2.948 N/A GLN 552.A N TYR 555.A O no hydrogen 3.232 N/A GLN 552.A NE2 LEU 219.A O no hydrogen 2.875 N/A TYR 555.A N GLN 552.A O no hydrogen 2.831 N/A TYR 556.A N ASP 576.A O no hydrogen 2.747 N/A ILE 558.A N ARG 574.A O no hydrogen 3.211 N/A ILE 559.A N PHE 319.A O no hydrogen 2.851 N/A GLY 560.A N GLY 572.A O no hydrogen 2.990 N/A GLY 561.A N PHE 317.A O no hydrogen 2.946 N/A TRP 562.A N GLY 570.A O no hydrogen 2.929 N/A MET 563.A N GLY 315.A O no hydrogen 2.900 N/A ILE 564.A N ALA 567.A O no hydrogen 2.828 N/A GLY 565.A N ILE 313.A O no hydrogen 2.701 N/A ALA 567.A N ILE 564.A O no hydrogen 3.024 N/A SER 569.A N TRP 562.A O no hydrogen 3.015 N/A SER 569.A OG ALA 567.A O no hydrogen 2.962 N/A THR 571.A N SER 365.A OG no hydrogen 3.321 N/A THR 571.A OG1 SER 365.A OG no hydrogen 2.595 N/A GLY 572.A N GLY 560.A O no hydrogen 3.124 N/A ARG 574.A N ILE 558.A O no hydrogen 3.322 N/A ARG 574.A NH1 SER 339.A OG no hydrogen 3.117 N/A GLU 575.A N PRO 586.A O no hydrogen 3.073 N/A ASP 576.A N TYR 556.A O no hydrogen 3.066 N/A SER 578.A N ASP 576.A OD1 no hydrogen 3.041 N/A VAL 579.A N ASP 576.A OD1 no hydrogen 3.190 N/A THR 581.A N VAL 579.A O no hydrogen 2.862 N/A ASP 584.A N THR 581.A OG1 no hydrogen 3.045 N/A SER 585.A OG ASP 576.A OD2 no hydrogen 2.995 N/A SER 585.A OG THR 581.A O no hydrogen 2.577 N/A ALA 588.A N ILE 573.A O no hydrogen 2.623 N/A VAL 590.A N GLN 348.A OE1 no hydrogen 2.815 N/A ARG 591.A N TYR 254.A O no hydrogen 2.834 N/A ARG 591.A NH2 GLN 349.A OE1 no hydrogen 3.533 N/A ILE 592.A N ARG 363.A O no hydrogen 3.038 N/A LYS 593.A N SER 256.A O no hydrogen 2.867 N/A THR 594.A N ASP 361.A O no hydrogen 2.932 N/A THR 594.A OG1 ASP 361.A O no hydrogen 3.281 N/A THR 594.A OG1 ASP 597.A O no hydrogen 3.209 N/A THR 594.A OG1 ASP 597.A OD2 no hydrogen 3.092 N/A GLU 601.A N GLU 601.A OE1 no hydrogen 2.668 N/A GLU 603.A N ALA 600.A O no hydrogen 2.945 N/A