Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pvc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N SER 2.A OG no hydrogen 3.200 N/A GLY 6.A N ASN 3.A O no hydrogen 3.184 N/A LEU 7.A N ASP 5.A OD1 no hydrogen 3.290 N/A THR 10.A N GLY 6.A O no hydrogen 3.191 N/A THR 10.A OG1 GLY 6.A O no hydrogen 2.975 N/A HIS 11.A N LEU 7.A O no hydrogen 3.068 N/A HIS 12.A N GLU 8.A O no hydrogen 2.879 N/A VAL 13.A N GLU 9.A O no hydrogen 2.736 N/A PHE 14.A N THR 10.A O no hydrogen 2.986 N/A LEU 15.A N HIS 11.A O no hydrogen 3.209 N/A LYS 16.A N HIS 11.A O no hydrogen 2.899 N/A ASN 18.A N LEU 15.A O no hydrogen 3.221 N/A ASN 18.A ND2 THR 173.A OG1 no hydrogen 2.514 N/A GLY 19.A N LYS 16.A O no hydrogen 2.959 N/A PHE 20.A N LEU 15.A O no hydrogen 2.669 N/A ARG 23.A N GLY 19.A O no hydrogen 2.950 N/A ARG 23.A NE ASN 18.A O no hydrogen 3.205 N/A ARG 23.A NH1 ASP 145.A O no hydrogen 3.226 N/A ARG 23.A NH2 ASN 18.A O no hydrogen 3.169 N/A ARG 23.A NH2 ASP 145.A O no hydrogen 3.246 N/A PHE 24.A N PRO 21.A O no hydrogen 3.010 N/A ALA 25.A N ALA 22.A O no hydrogen 3.105 N/A SER 26.A OG ARG 23.A O no hydrogen 3.529 N/A HIS 27.A NE2 SER 31.A O no hydrogen 2.863 N/A CYS 32.A N ARG 66.A O no hydrogen 3.036 N/A ILE 33.A N ASP 145.A OD2 no hydrogen 2.987 N/A PHE 34.A N HIS 68.A O no hydrogen 2.794 N/A ALA 35.A N ALA 146.A O no hydrogen 3.018 N/A GLU 36.A N ILE 70.A O no hydrogen 2.697 N/A THR 37.A N PHE 148.A O no hydrogen 3.172 N/A THR 37.A OG1 ASP 150.A O no hydrogen 2.781 N/A GLY 38.A N PHE 72.A O no hydrogen 2.654 N/A PHE 39.A N GLU 73.A OE1 no hydrogen 2.840 N/A GLY 40.A N GLU 73.A OE1 no hydrogen 3.164 N/A GLY 42.A N PHE 39.A O no hydrogen 2.947 N/A ASN 44.A ND2 GLU 36.A OE2 no hydrogen 2.722 N/A ASN 44.A ND2 ASP 150.A OD2 no hydrogen 3.191 N/A LEU 46.A N GLY 42.A O no hydrogen 2.789 N/A THR 47.A N LEU 43.A O no hydrogen 3.060 N/A THR 47.A OG1 LEU 43.A O no hydrogen 2.689 N/A LEU 48.A N ASN 44.A O no hydrogen 3.029 N/A TRP 49.A N PHE 45.A O no hydrogen 2.809 N/A ARG 50.A N LEU 46.A O no hydrogen 2.837 N/A ASP 51.A N THR 47.A O no hydrogen 3.178 N/A PHE 52.A N LEU 48.A O no hydrogen 2.855 N/A ALA 53.A N TRP 49.A O no hydrogen 2.702 N/A LEU 54.A N ARG 50.A O no hydrogen 2.980 N/A PHE 55.A N ASP 51.A O no hydrogen 3.054 N/A ARG 56.A N PHE 52.A O no hydrogen 3.007 N/A ARG 56.A NE LEU 64.A O no hydrogen 2.999 N/A ARG 56.A NH1 PRO 60.A O no hydrogen 3.386 N/A ARG 56.A NH2 LEU 64.A O no hydrogen 3.191 N/A GLN 57.A N ALA 53.A O no hydrogen 3.059 N/A GLN 58.A N LEU 54.A O no hydrogen 3.074 N/A SER 59.A N PHE 55.A O no hydrogen 2.924 N/A ALA 62.A N SER 59.A O no hydrogen 3.115 N/A ARG 65.A N GLN 30.A O no hydrogen 2.772 N/A ARG 65.A NH1 PRO 60.A O no hydrogen 3.524 N/A ARG 66.A N GLN 30.A O no hydrogen 2.951 N/A ARG 66.A NH1 GLN 30.A OE1 no hydrogen 3.312 N/A LEU 67.A N ALA 119.A O no hydrogen 2.817 N/A HIS 68.A N CYS 32.A O no hydrogen 2.907 N/A HIS 68.A NE2 ASP 123.A OD2 no hydrogen 2.743 N/A TYR 69.A N THR 121.A O no hydrogen 2.808 N/A TYR 69.A OH GLU 36.A OE1 no hydrogen 2.401 N/A ILE 70.A N PHE 34.A O no hydrogen 2.749 N/A SER 71.A N ASP 123.A O no hydrogen 2.870 N/A SER 71.A OG GLY 38.A O no hydrogen 2.870 N/A PHE 72.A N GLU 36.A O no hydrogen 3.112 N/A GLU 73.A N TRP 125.A O no hydrogen 2.843 N/A LYS 74.A NZ ASP 128.A OD2 no hydrogen 2.754 N/A TYR 75.A N GLU 73.A OE2 no hydrogen 2.715 N/A HIS 78.A N ASP 81.A OD2 no hydrogen 2.962 N/A ASP 81.A N HIS 78.A O no hydrogen 3.086 N/A LEU 82.A N HIS 78.A O no hydrogen 3.213 N/A ALA 83.A N VAL 79.A O no hydrogen 2.916 N/A SER 84.A N ALA 80.A O no hydrogen 2.998 N/A ALA 85.A N ASP 81.A O no hydrogen 3.068 N/A HIS 86.A N LEU 82.A O no hydrogen 2.951 N/A HIS 86.A NE2 THR 41.A O no hydrogen 2.622 N/A ARG 88.A N ALA 85.A O no hydrogen 3.104 N/A ARG 88.A NH2 GLU 4.A O no hydrogen 3.317 N/A TRP 89.A N HIS 86.A O no hydrogen 2.974 N/A TRP 89.A NE1 ASP 5.A O no hydrogen 2.655 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.628 N/A LEU 92.A N TRP 89.A O no hydrogen 2.852 N/A ALA 93.A N PRO 90.A O no hydrogen 2.965 N/A PHE 95.A N LEU 92.A O no hydrogen 2.889 N/A ALA 96.A N LEU 92.A O no hydrogen 2.930 N/A GLU 97.A N ALA 93.A O no hydrogen 2.952 N/A GLN 98.A N PHE 95.A O no hydrogen 3.014 N/A LEU 99.A N PHE 95.A O no hydrogen 3.046 N/A ARG 100.A N ALA 96.A O no hydrogen 2.878 N/A ARG 100.A NH1 HIS 86.A ND1 no hydrogen 3.091 N/A ALA 101.A N GLU 97.A O no hydrogen 2.941 N/A GLN 102.A N LEU 99.A O no hydrogen 2.971 N/A TRP 103.A N ARG 100.A O no hydrogen 3.374 N/A TRP 103.A NE1 LEU 77.A O no hydrogen 2.798 N/A LEU 107.A N LEU 105.A O no hydrogen 2.888 N/A GLY 109.A N PHE 126.A O no hydrogen 3.012 N/A CYS 110.A SG PRO 601.A O no hydrogen 3.407 N/A HIS 111.A N LEU 124.A O no hydrogen 2.836 N/A HIS 111.A NE2 LEU 107.A O no hydrogen 2.740 N/A ARG 112.A NE ASP 123.A OD1 no hydrogen 2.683 N/A ARG 112.A NH1 GLU 590.A OE2 no hydrogen 2.997 N/A ARG 112.A NH2 ASP 123.A OD1 no hydrogen 3.494 N/A ARG 112.A NH2 ASP 123.A OD2 no hydrogen 2.608 N/A ARG 112.A NH2 PRO 599.A O no hydrogen 2.962 N/A ILE 113.A N LEU 122.A O no hydrogen 2.740 N/A LEU 115.A N ILE 120.A O no hydrogen 2.672 N/A ALA 119.A N ALA 116.A O no hydrogen 2.985 N/A ILE 120.A N LEU 115.A O no hydrogen 3.114 N/A THR 121.A N LEU 67.A O no hydrogen 3.011 N/A LEU 122.A N ILE 113.A O no hydrogen 2.783 N/A ASP 123.A N TYR 69.A O no hydrogen 2.753 N/A LEU 124.A N HIS 111.A O no hydrogen 2.869 N/A TRP 125.A N SER 71.A O no hydrogen 2.679 N/A PHE 126.A N GLY 109.A O no hydrogen 2.894 N/A GLY 127.A N GLU 73.A O no hydrogen 2.985 N/A ASN 130.A N ASP 128.A OD1 no hydrogen 3.078 N/A ASN 130.A ND2 ASP 157.A O no hydrogen 3.547 N/A THR 131.A OG1 ASP 128.A O no hydrogen 3.529 N/A LEU 132.A N ASP 128.A O no hydrogen 3.010 N/A LEU 132.A N VAL 129.A O no hydrogen 3.027 N/A LEU 133.A N VAL 129.A O no hydrogen 3.010 N/A THR 135.A N LEU 132.A O no hydrogen 2.848 N/A THR 135.A OG1 LEU 132.A O no hydrogen 2.661 N/A LEU 136.A N LEU 133.A O no hydrogen 3.254 N/A SER 139.A N ASP 137.A OD2 no hydrogen 2.885 N/A SER 139.A OG ASP 137.A OD2 no hydrogen 2.628 N/A LEU 140.A N ASP 137.A O no hydrogen 2.912 N/A ASN 141.A N ASP 138.A O no hydrogen 3.124 N/A ASN 141.A ND2 ARG 167.A O no hydrogen 3.661 N/A ASN 142.A N ARG 167.A O no hydrogen 2.870 N/A GLN 143.A NE2 SER 139.A O no hydrogen 2.869 N/A GLN 143.A NE2 GLY 597.A O no hydrogen 3.239 N/A ASP 145.A N ILE 33.A O no hydrogen 2.857 N/A ALA 146.A N ILE 33.A O no hydrogen 3.246 N/A TRP 147.A N THR 173.A O no hydrogen 2.897 N/A TRP 147.A NE1 THR 168.A OG1 no hydrogen 2.954 N/A PHE 148.A N ALA 35.A O no hydrogen 2.739 N/A LEU 149.A N SER 175.A O no hydrogen 3.047 N/A ASP 150.A N THR 37.A OG1 no hydrogen 3.162 N/A ASP 157.A N ASN 155.A OD1 no hydrogen 2.752 N/A ASN 159.A ND2 ASN 130.A OD1 no hydrogen 2.969 N/A ASN 159.A ND2 ASP 157.A O no hydrogen 3.165 N/A GLN 161.A NE2 ASN 130.A O no hydrogen 2.977 N/A LEU 162.A N ASN 159.A OD1 no hydrogen 2.870 N/A PHE 163.A N ASN 159.A O no hydrogen 3.338 N/A ASN 164.A N GLU 160.A O no hydrogen 2.809 N/A ALA 165.A N GLN 161.A O no hydrogen 3.064 N/A ARG 167.A N ASN 164.A O no hydrogen 3.088 N/A ARG 169.A N VAL 144.A O no hydrogen 2.823 N/A ARG 169.A NE GLN 143.A O no hydrogen 3.161 N/A ARG 169.A NH2 GLN 143.A O no hydrogen 2.827 N/A ARG 169.A NH2 GLN 143.A OE1 no hydrogen 3.079 N/A GLY 171.A N LEU 210.A O no hydrogen 2.714 N/A GLY 172.A N ARG 169.A O no hydrogen 2.786 N/A THR 173.A N ASP 145.A O no hydrogen 3.023 N/A THR 173.A OG1 ASP 145.A O no hydrogen 3.548 N/A PHE 174.A N GLY 208.A O no hydrogen 3.047 N/A SER 175.A N TRP 147.A O no hydrogen 3.137 N/A SER 175.A OG VAL 13.A O no hydrogen 2.733 N/A SER 175.A OG ASN 18.A OD1 no hydrogen 3.273 N/A THR 176.A N LEU 206.A O no hydrogen 2.877 N/A THR 176.A OG1 LEU 149.A O no hydrogen 2.914 N/A ALA 180.A N THR 178.A OG1 no hydrogen 2.978 N/A VAL 183.A N ALA 180.A O no hydrogen 3.145 N/A ARG 184.A N ALA 180.A O no hydrogen 3.097 N/A ARG 184.A NH1 GLN 188.A OE1 no hydrogen 2.803 N/A ARG 185.A N GLY 181.A O no hydrogen 2.902 N/A GLY 186.A N PHE 182.A O no hydrogen 2.873 N/A LEU 187.A N VAL 183.A O no hydrogen 2.886 N/A GLN 188.A N ARG 184.A O no hydrogen 2.946 N/A GLN 189.A N ARG 185.A O no hydrogen 2.946 N/A GLN 189.A NE2 ASN 164.A OD1 no hydrogen 3.364 N/A GLN 189.A NE2 GLY 186.A O no hydrogen 2.634 N/A ALA 190.A N GLY 186.A O no hydrogen 3.186 N/A GLY 191.A N GLN 188.A O no hydrogen 2.798 N/A PHE 192.A N LEU 187.A O no hydrogen 2.934 N/A ASN 193.A N THR 209.A O no hydrogen 2.996 N/A THR 195.A N THR 207.A O no hydrogen 2.779 N/A LEU 206.A N THR 176.A O no hydrogen 3.474 N/A THR 207.A N THR 195.A O no hydrogen 2.980 N/A GLY 208.A N PHE 174.A O no hydrogen 3.177 N/A THR 209.A N ASN 193.A O no hydrogen 3.115 N/A LEU 210.A N GLY 172.A O no hydrogen 2.788 N/A THR 218.A OG1 ALA 216.A O no hydrogen 2.838 N/A ALA 219.A N ASP 138.A OD2 no hydrogen 2.620 N/A TYR 222.A N ALA 219.A O no hydrogen 2.908 N/A HIS 223.A N PRO 220.A O no hydrogen 3.045 N/A ARG 224.A NH1 VAL 540.A O no hydrogen 2.738 N/A ARG 224.A NH1 GLN 595.A OE1 no hydrogen 2.881 N/A ARG 224.A NH2 VAL 540.A O no hydrogen 3.227 N/A ARG 224.A NH2 LEU 607.A O no hydrogen 2.791 N/A THR 228.A N GLU 571.A OE1 no hydrogen 3.027 N/A THR 228.A N GLU 571.A OE2 no hydrogen 3.445 N/A THR 228.A OG1 GLU 571.A OE2 no hydrogen 2.559 N/A ARG 229.A NH1 ASP 231.A OD1 no hydrogen 3.472 N/A ILE 233.A N VAL 255.A O no hydrogen 2.845 N/A ALA 234.A N THR 420.A O no hydrogen 2.943 N/A ILE 235.A N THR 257.A O no hydrogen 2.639 N/A ILE 236.A N ILE 422.A O no hydrogen 2.833 N/A GLY 237.A N TYR 259.A O no hydrogen 3.044 N/A GLY 238.A N SER 242.A OG no hydrogen 2.831 N/A ILE 240.A N SER 270.A OG no hydrogen 2.996 N/A SER 242.A N GLY 239.A O no hydrogen 3.049 N/A ALA 243.A N GLY 239.A O no hydrogen 3.342 N/A LEU 244.A N ILE 240.A O no hydrogen 3.154 N/A THR 245.A N VAL 241.A O no hydrogen 2.993 N/A THR 245.A OG1 VAL 241.A O no hydrogen 2.652 N/A ALA 246.A N SER 242.A O no hydrogen 2.927 N/A LEU 247.A N ALA 243.A O no hydrogen 3.038 N/A ALA 248.A N LEU 244.A O no hydrogen 2.822 N/A LEU 249.A N THR 245.A O no hydrogen 2.943 N/A GLN 250.A N ALA 246.A O no hydrogen 2.934 N/A GLN 250.A NE2 ALA 384.A O no hydrogen 3.055 N/A ARG 251.A N LEU 247.A O no hydrogen 3.174 N/A ARG 251.A NH2 GLU 590.A OE1 no hydrogen 3.401 N/A ARG 252.A N LEU 249.A O no hydrogen 3.154 N/A ARG 252.A NE GLU 598.A OE1 no hydrogen 2.862 N/A ARG 252.A NE GLU 598.A OE2 no hydrogen 3.114 N/A ARG 252.A NH1 ALA 248.A O no hydrogen 3.000 N/A ARG 252.A NH1 GLU 590.A OE1 no hydrogen 3.199 N/A ARG 252.A NH2 GLU 590.A OE2 no hydrogen 2.886 N/A ARG 252.A NH2 GLU 598.A OE1 no hydrogen 2.935 N/A GLY 253.A N GLN 250.A O no hydrogen 2.848 N/A ALA 254.A N LEU 249.A O no hydrogen 3.068 N/A VAL 255.A N CYS 230.A O no hydrogen 3.127 N/A THR 257.A N ILE 233.A O no hydrogen 2.686 N/A LEU 258.A N THR 389.A O no hydrogen 2.952 N/A TYR 259.A N ILE 235.A O no hydrogen 2.927 N/A TYR 259.A OH HIS 418.A NE2 no hydrogen 2.913 N/A CYS 260.A N HIS 391.A O no hydrogen 3.158 N/A CYS 260.A SG ASP 262.A O no hydrogen 3.876 N/A CYS 260.A SG GLN 264.A O no hydrogen 3.773 N/A ALA 266.A N GLY 238.A O no hydrogen 2.897 N/A GLN 267.A NE2 PRO 265.A O no hydrogen 2.734 N/A GLN 274.A NE2 HIS 478.A O no hydrogen 3.064 N/A GLY 275.A N LEU 373.A O no hydrogen 2.922 N/A LEU 277.A N GLY 371.A O no hydrogen 2.869 N/A ASN 282.A N GLU 289.A OE2 no hydrogen 2.767 N/A ASN 282.A ND2 ASP 286.A OD1 no hydrogen 2.839 N/A GLY 283.A N GLU 289.A OE2 no hydrogen 2.426 N/A LYS 284.A N ASN 282.A OD1 no hydrogen 2.825 N/A ASN 285.A N GLU 289.A OE1 no hydrogen 2.956 N/A GLU 289.A N ASP 286.A OD1 no hydrogen 3.010 N/A THR 290.A N ASP 286.A O no hydrogen 3.031 N/A THR 290.A OG1 ASP 286.A O no hydrogen 2.481 N/A PHE 291.A N ALA 287.A O no hydrogen 2.832 N/A PHE 292.A N LEU 288.A O no hydrogen 2.966 N/A THR 293.A N GLU 289.A O no hydrogen 2.896 N/A THR 293.A OG1 GLU 289.A O no hydrogen 2.985 N/A SER 294.A N THR 290.A O no hydrogen 3.447 N/A SER 294.A OG CYS 110.A O no hydrogen 2.601 N/A ALA 295.A N PHE 291.A O no hydrogen 2.748 N/A PHE 296.A N PHE 292.A O no hydrogen 3.039 N/A THR 297.A OG1 THR 293.A O no hydrogen 3.166 N/A THR 297.A OG1 SER 294.A O no hydrogen 3.201 N/A PHE 298.A N SER 294.A O no hydrogen 3.011 N/A ALA 299.A N ALA 295.A O no hydrogen 2.785 N/A ARG 300.A N PHE 296.A O no hydrogen 2.918 N/A ARG 300.A NH1 ALA 369.A O no hydrogen 2.854 N/A ARG 300.A NH2 ASP 304.A OD1 no hydrogen 3.494 N/A ARG 300.A NH2 ASP 304.A OD2 no hydrogen 2.954 N/A ARG 301.A N THR 297.A O no hydrogen 3.033 N/A ARG 301.A NH2 ARG 112.A O no hydrogen 2.784 N/A GLN 302.A N PHE 298.A O no hydrogen 3.032 N/A TYR 303.A N ALA 299.A O no hydrogen 2.849 N/A TYR 303.A OH LEU 582.A O no hydrogen 2.730 N/A ASP 304.A N ARG 300.A O no hydrogen 2.950 N/A GLN 305.A N ARG 301.A O no hydrogen 2.879 N/A GLN 305.A NE2 LEU 114.A O no hydrogen 2.816 N/A LEU 306.A N GLN 302.A O no hydrogen 2.935 N/A LEU 307.A N TYR 303.A O no hydrogen 3.027 N/A GLU 308.A N ASP 304.A O no hydrogen 2.892 N/A GLN 309.A N GLN 305.A O no hydrogen 3.001 N/A GLY 310.A N LEU 307.A O no hydrogen 3.146 N/A ILE 311.A N LEU 306.A O no hydrogen 3.218 N/A HIS 315.A ND1 PHE 313.A O no hydrogen 2.863 N/A GLN 316.A N TRP 372.A O no hydrogen 2.961 N/A TRP 317.A NE1 ASP 304.A OD1 no hydrogen 3.043 N/A CYS 318.A SG GLN 316.A O no hydrogen 3.715 N/A CYS 318.A SG GLY 319.A O no hydrogen 3.577 N/A GLY 319.A N GLY 370.A O no hydrogen 2.887 N/A VAL 320.A N TYR 367.A O no hydrogen 3.170 N/A SER 321.A N VAL 462.A O no hydrogen 2.735 N/A SER 321.A OG HIS 366.A ND1 no hydrogen 3.085 N/A GLN 322.A N ILE 365.A O no hydrogen 2.920 N/A LEU 323.A N CYS 464.A O no hydrogen 2.830 N/A ALA 324.A N ASP 363.A O no hydrogen 2.802 N/A SER 329.A OG LEU 323.A O no hydrogen 3.558 N/A SER 329.A OG ASP 326.A O no hydrogen 3.362 N/A ARG 330.A N ASP 326.A O no hydrogen 2.852 N/A ARG 330.A NH1 ASP 363.A OD1 no hydrogen 2.924 N/A GLY 331.A N ASP 327.A O no hydrogen 2.960 N/A LYS 332.A N LYS 328.A O no hydrogen 2.862 N/A ILE 333.A N SER 329.A O no hydrogen 2.798 N/A GLU 334.A N ARG 330.A O no hydrogen 2.723 N/A LYS 335.A N GLY 331.A O no hydrogen 3.003 N/A HIS 337.A N LYS 335.A O no hydrogen 3.150 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 2.887 N/A PHE 344.A N PRO 341.A O no hydrogen 2.914 N/A ALA 345.A N PRO 341.A O no hydrogen 3.184 N/A GLU 346.A N HIS 366.A O no hydrogen 2.895 N/A SER 348.A OG GLN 351.A OE1 no hydrogen 3.408 N/A ARG 349.A NE ASP 359.A OD1 no hydrogen 2.932 N/A ARG 349.A NH2 ASP 359.A OD1 no hydrogen 3.391 N/A ARG 349.A NH2 ASP 359.A OD2 no hydrogen 2.906 N/A GLN 351.A N SER 348.A OG no hydrogen 3.156 N/A LEU 352.A N SER 348.A O no hydrogen 2.953 N/A SER 353.A N ARG 349.A O no hydrogen 2.934 N/A SER 353.A OG ARG 349.A O no hydrogen 2.683 N/A SER 353.A OG ASP 359.A OD1 no hydrogen 3.479 N/A GLU 354.A N GLU 350.A O no hydrogen 2.883 N/A LEU 355.A N GLN 351.A O no hydrogen 3.070 N/A ALA 356.A N LEU 352.A O no hydrogen 2.754 N/A GLY 357.A N SER 353.A O no hydrogen 2.861 N/A CYS 360.A N SER 353.A OG no hydrogen 3.043 N/A CYS 360.A SG LEU 358.A O no hydrogen 3.593 N/A ALA 361.A N ASP 359.A OD1 no hydrogen 3.049 N/A HIS 362.A NE2 CYS 509.A O no hydrogen 2.710 N/A ILE 365.A N GLN 322.A O no hydrogen 3.006 N/A HIS 366.A N GLU 346.A O no hydrogen 2.888 N/A HIS 366.A ND1 SER 321.A OG no hydrogen 3.085 N/A TYR 367.A N VAL 320.A O no hydrogen 2.842 N/A GLY 370.A N TYR 367.A O no hydrogen 2.881 N/A GLY 371.A N LEU 277.A O no hydrogen 2.990 N/A TRP 372.A N GLN 316.A O no hydrogen 3.135 N/A TRP 372.A NE1 GLN 316.A OE1 no hydrogen 2.701 N/A LEU 373.A N GLY 275.A O no hydrogen 3.125 N/A CYS 374.A N ASP 314.A O no hydrogen 2.778 N/A CYS 374.A SG ASN 272.A O no hydrogen 3.906 N/A SER 376.A N ASN 272.A O no hydrogen 3.335 N/A LEU 378.A N CYS 374.A O no hydrogen 2.998 N/A THR 379.A N PRO 375.A O no hydrogen 2.853 N/A THR 379.A OG1 PRO 375.A O no hydrogen 2.621 N/A HIS 380.A N SER 376.A O no hydrogen 3.091 N/A HIS 380.A ND1 SER 376.A O no hydrogen 2.846 N/A ALA 381.A N ASP 377.A O no hydrogen 2.867 N/A LEU 382.A N LEU 378.A O no hydrogen 2.999 N/A ALA 384.A N LEU 382.A O no hydrogen 2.923 N/A ASN 387.A N LEU 383.A O no hydrogen 3.070 N/A ASN 387.A N ALA 384.A O no hydrogen 3.281 N/A GLY 388.A N GLN 385.A O no hydrogen 2.954 N/A HIS 391.A N LEU 258.A O no hydrogen 2.786 N/A GLN 393.A N ASP 262.A O no hydrogen 2.729 N/A HIS 394.A N CYS 260.A O no hydrogen 3.036 N/A HIS 394.A ND1 TYR 392.A O no hydrogen 2.830 N/A GLN 397.A N THR 409.A O no hydrogen 2.682 N/A ARG 398.A N THR 409.A O no hydrogen 3.266 N/A LYS 400.A N GLN 407.A O no hydrogen 3.234 N/A ARG 401.A NH2 ALA 419.A O no hydrogen 3.356 N/A ILE 402.A N GLN 405.A O no hydrogen 2.996 N/A GLN 405.A NE2 SER 404.A O no hydrogen 3.699 N/A TRP 406.A N HIS 418.A O no hydrogen 2.639 N/A TRP 406.A NE1 PRO 570.A O no hydrogen 2.875 N/A GLN 407.A N LYS 400.A O no hydrogen 2.932 N/A LEU 408.A N LYS 416.A O no hydrogen 2.731 N/A THR 409.A N ARG 398.A O no hydrogen 2.999 N/A GLY 411.A N GLU 395.A O no hydrogen 3.207 N/A GLN 413.A NE2 GLN 393.A O no hydrogen 3.347 N/A LYS 416.A N LEU 408.A O no hydrogen 2.973 N/A LYS 416.A NZ ALA 414.A O no hydrogen 3.500 N/A HIS 417.A ND1 GLN 405.A OE1 no hydrogen 2.929 N/A HIS 418.A N TRP 406.A O no hydrogen 2.851 N/A HIS 418.A ND1 ASP 232.A OD1 no hydrogen 2.837 N/A HIS 418.A NE2 TYR 259.A OH no hydrogen 2.913 N/A ALA 419.A N ASP 232.A OD2 no hydrogen 3.274 N/A THR 420.A N ASP 232.A O no hydrogen 3.318 N/A THR 420.A OG1 ARG 229.A O no hydrogen 2.826 N/A VAL 421.A N GLU 571.A O no hydrogen 3.044 N/A ILE 422.A N ALA 234.A O no hydrogen 2.929 N/A LEU 423.A N PHE 573.A O no hydrogen 2.798 N/A ALA 424.A N ILE 236.A O no hydrogen 2.805 N/A ARG 428.A N THR 425.A O no hydrogen 3.112 N/A ARG 428.A NE GLU 431.A OE1 no hydrogen 2.959 N/A ARG 428.A NH1 GLU 395.A OE2 no hydrogen 3.167 N/A ARG 428.A NH2 GLU 395.A OE2 no hydrogen 3.131 N/A ARG 428.A NH2 GLU 431.A OE1 no hydrogen 3.198 N/A LEU 429.A N GLY 426.A O no hydrogen 2.977 N/A GLU 431.A N ARG 428.A O no hydrogen 3.152 N/A TRP 432.A N THR 435.A OG1 no hydrogen 3.185 N/A GLN 434.A N GLN 434.A OE1 no hydrogen 2.727 N/A GLN 434.A NE2 LEU 399.A O no hydrogen 3.001 N/A THR 435.A N TRP 432.A O no hydrogen 2.947 N/A THR 435.A OG1 LEU 429.A O no hydrogen 2.617 N/A THR 435.A OG1 TRP 432.A O no hydrogen 3.513 N/A LEU 438.A N THR 435.A O no hydrogen 3.166 N/A LEU 440.A N LEU 438.A O no hydrogen 2.820 N/A SER 441.A N ALA 533.A O no hydrogen 2.977 N/A VAL 443.A N ARG 531.A O no hydrogen 2.954 N/A ARG 444.A N GLN 486.A O no hydrogen 3.241 N/A ARG 444.A N ASP 489.A O no hydrogen 3.055 N/A ARG 444.A NE GLU 498.A OE1 no hydrogen 2.936 N/A ARG 444.A NE GLU 498.A OE2 no hydrogen 3.399 N/A ARG 444.A NH1 ALA 491.A O no hydrogen 2.653 N/A ARG 444.A NH1 ASP 493.A O no hydrogen 2.895 N/A ARG 444.A NH2 ASP 493.A O no hydrogen 2.848 N/A ARG 444.A NH2 GLU 498.A OE1 no hydrogen 3.136 N/A GLY 445.A N GLY 529.A O no hydrogen 2.858 N/A GLN 446.A N SER 484.A OG no hydrogen 2.829 N/A GLN 446.A NE2 ARG 495.A O no hydrogen 3.521 N/A VAL 447.A N ARG 527.A O no hydrogen 2.804 N/A SER 448.A N ILE 481.A O no hydrogen 2.935 N/A HIS 449.A N GLN 525.A O no hydrogen 2.833 N/A ILE 450.A N HIS 479.A O no hydrogen 2.902 N/A THR 452.A N GLN 477.A O no hydrogen 3.097 N/A THR 452.A OG1 THR 453.A O no hydrogen 3.479 N/A THR 452.A OG1 SER 457.A OG no hydrogen 3.132 N/A THR 452.A OG1 HIS 479.A NE2 no hydrogen 2.636 N/A LEU 456.A N THR 453.A OG1 no hydrogen 3.117 N/A SER 457.A N THR 453.A O no hydrogen 2.874 N/A SER 457.A OG THR 452.A OG1 no hydrogen 3.132 N/A SER 457.A OG THR 453.A O no hydrogen 3.415 N/A GLN 458.A N VAL 455.A O no hydrogen 3.067 N/A LEU 459.A N LEU 456.A O no hydrogen 3.288 N/A GLN 460.A N ALA 356.A O no hydrogen 2.857 N/A GLN 461.A NE2 CYS 318.A O no hydrogen 2.771 N/A VAL 462.A N GLY 319.A O no hydrogen 3.285 N/A LEU 463.A N LEU 469.A O no hydrogen 3.046 N/A CYS 464.A N SER 321.A O no hydrogen 2.987 N/A TYR 465.A N GLY 467.A O no hydrogen 2.715 N/A TYR 468.A N GLY 482.A O no hydrogen 3.064 N/A LEU 469.A N LEU 463.A O no hydrogen 3.005 N/A THR 470.A N CYS 480.A O no hydrogen 3.047 N/A THR 470.A OG1 PRO 471.A O no hydrogen 3.031 N/A THR 470.A OG1 CYS 480.A O no hydrogen 3.515 N/A ASN 473.A N HIS 478.A O no hydrogen 2.892 N/A ASN 473.A ND2 ASP 314.A OD2 no hydrogen 2.857 N/A ALA 475.A N ASN 473.A OD1 no hydrogen 2.912 N/A ASN 476.A N ASN 473.A O no hydrogen 2.897 N/A GLN 477.A N ASN 473.A O no hydrogen 2.772 N/A GLN 477.A NE2 PRO 474.A O no hydrogen 2.809 N/A HIS 478.A N ASN 476.A OD1 no hydrogen 2.857 N/A HIS 478.A ND1 ASN 476.A O no hydrogen 2.768 N/A HIS 479.A N ILE 450.A O no hydrogen 2.915 N/A HIS 479.A ND1 THR 470.A O no hydrogen 2.948 N/A HIS 479.A NE2 THR 452.A OG1 no hydrogen 2.636 N/A CYS 480.A N THR 470.A OG1 no hydrogen 3.160 N/A CYS 480.A SG GLN 274.A O no hydrogen 3.956 N/A ILE 481.A N SER 448.A O no hydrogen 3.015 N/A GLY 482.A N TYR 468.A O no hydrogen 3.045 N/A SER 484.A N GLN 446.A O no hydrogen 3.446 N/A SER 484.A OG GLU 498.A OE1 no hydrogen 2.625 N/A GLN 486.A N ARG 444.A O no hydrogen 2.944 N/A GLY 488.A N ALA 442.A O no hydrogen 3.236 N/A ALA 491.A N ASP 489.A OD1 no hydrogen 3.295 N/A ARG 495.A NE ASP 493.A OD1 no hydrogen 3.447 N/A ARG 495.A NE ASP 493.A OD2 no hydrogen 3.253 N/A ARG 495.A NH1 ASP 489.A OD2 no hydrogen 2.711 N/A ARG 495.A NH1 GLU 498.A OE2 no hydrogen 3.266 N/A ARG 495.A NH2 ASP 489.A OD1 no hydrogen 3.069 N/A ARG 495.A NH2 ASP 489.A OD2 no hydrogen 3.304 N/A ARG 495.A NH2 ASP 493.A OD1 no hydrogen 3.271 N/A THR 497.A OG1 GLU 501.A OE2 no hydrogen 3.452 N/A GLN 499.A N ARG 495.A O no hydrogen 3.193 N/A GLN 499.A NE2 GLN 446.A OE1 no hydrogen 3.081 N/A GLN 500.A N LEU 496.A O no hydrogen 2.994 N/A GLU 501.A N THR 497.A O no hydrogen 2.963 N/A ASN 502.A N GLU 498.A O no hydrogen 3.182 N/A ASN 502.A ND2 GLN 446.A O no hydrogen 2.891 N/A ASN 502.A ND2 SER 448.A OG no hydrogen 3.029 N/A ARG 503.A NE VAL 519.A O no hydrogen 2.644 N/A ARG 503.A NH2 GLN 517.A O no hydrogen 2.894 N/A GLU 504.A N GLN 500.A O no hydrogen 2.881 N/A ARG 505.A N GLU 501.A O no hydrogen 2.791 N/A ARG 505.A NH1 ASP 466.A O no hydrogen 3.108 N/A LEU 507.A N ARG 503.A O no hydrogen 3.040 N/A ARG 508.A N GLU 504.A O no hydrogen 2.790 N/A ARG 508.A NH1 ASP 466.A OD2 no hydrogen 3.407 N/A ARG 508.A NH2 ASP 466.A OD2 no hydrogen 2.734 N/A CYS 509.A N ARG 505.A O no hydrogen 3.098 N/A CYS 509.A N LEU 506.A O no hydrogen 3.115 N/A CYS 509.A SG ARG 505.A O no hydrogen 3.384 N/A LEU 510.A N LEU 506.A O no hydrogen 3.104 N/A GLN 512.A N GLN 512.A OE1 no hydrogen 2.623 N/A VAL 513.A N LEU 510.A O no hydrogen 3.407 N/A TRP 515.A NE1 ASP 359.A O no hydrogen 2.674 N/A GLN 517.A N SER 514.A O no hydrogen 2.940 N/A GLN 518.A N TRP 515.A O no hydrogen 2.982 N/A VAL 519.A N PRO 516.A O no hydrogen 2.977 N/A SER 522.A N ASP 520.A OD1 no hydrogen 2.728 N/A SER 522.A OG ASP 520.A OD1 no hydrogen 2.710 N/A ASN 524.A N VAL 521.A O no hydrogen 3.064 N/A GLN 525.A NE2 ASP 523.A O no hydrogen 2.813 N/A ARG 527.A N VAL 447.A O no hydrogen 2.794 N/A ARG 527.A NH2 GLY 268.A O no hydrogen 3.033 N/A CYS 528.A SG ASP 493.A O no hydrogen 3.646 N/A GLY 529.A N GLY 445.A O no hydrogen 2.950 N/A ARG 531.A N VAL 443.A O no hydrogen 2.869 N/A ARG 531.A NE SER 579.A OG no hydrogen 2.822 N/A ARG 531.A NH1 VAL 443.A O no hydrogen 3.242 N/A ARG 531.A NH1 ARG 444.A O no hydrogen 2.823 N/A ARG 531.A NH1 SER 484.A O no hydrogen 3.204 N/A ARG 531.A NH2 SER 484.A O no hydrogen 2.905 N/A CYS 532.A SG GLY 426.A O no hydrogen 3.660 N/A ALA 533.A N SER 441.A O no hydrogen 2.797 N/A HIS 537.A N ILE 534.A O no hydrogen 2.875 N/A LEU 538.A N ASP 536.A OD1 no hydrogen 3.366 N/A VAL 543.A N LEU 572.A O no hydrogen 2.947 N/A ASP 545.A N PRO 567.A O no hydrogen 3.077 N/A THR 549.A N ASP 545.A O no hydrogen 2.976 N/A THR 549.A N TYR 546.A O no hydrogen 2.828 N/A THR 549.A OG1 ASP 545.A O no hydrogen 2.432 N/A LEU 550.A N TYR 546.A O no hydrogen 3.002 N/A ALA 551.A N ALA 547.A O no hydrogen 3.076 N/A GLN 552.A N ALA 548.A O no hydrogen 2.841 N/A TYR 553.A N THR 549.A O no hydrogen 2.865 N/A TYR 553.A OH ALA 564.A O no hydrogen 2.836 N/A LEU 556.A N TYR 553.A O no hydrogen 3.170 N/A SER 557.A OG LEU 621.A O no hydrogen 3.266 N/A ARG 558.A NE ASP 555.A OD1 no hydrogen 3.538 N/A ARG 559.A N ASP 555.A O no hydrogen 3.319 N/A ALA 566.A N PRO 220.A O no hydrogen 2.985 N/A TRP 569.A N VAL 543.A O no hydrogen 3.024 N/A PHE 573.A N VAL 421.A O no hydrogen 2.913 N/A VAL 574.A N LEU 423.A O no hydrogen 2.995 N/A GLY 578.A N CYS 532.A O no hydrogen 2.914 N/A ARG 580.A N LEU 577.A O no hydrogen 3.038 N/A CYS 583.A N ARG 580.A O no hydrogen 3.033 N/A CYS 583.A SG TYR 278.A O no hydrogen 3.465 N/A SER 584.A N ARG 580.A O no hydrogen 2.983 N/A SER 584.A OG ARG 580.A O no hydrogen 3.313 N/A ALA 585.A N GLY 581.A O no hydrogen 2.807 N/A VAL 588.A N SER 584.A O no hydrogen 3.260 N/A ALA 589.A N ALA 585.A O no hydrogen 2.983 N/A GLU 590.A N PRO 586.A O no hydrogen 3.074 N/A ILE 591.A N LEU 587.A O no hydrogen 2.766 N/A LEU 592.A N VAL 588.A O no hydrogen 2.696 N/A ALA 593.A N ALA 589.A O no hydrogen 2.961 N/A ALA 594.A N GLU 590.A O no hydrogen 3.020 N/A GLN 595.A N ILE 591.A O no hydrogen 2.958 N/A GLN 595.A NE2 PRO 225.A O no hydrogen 3.143 N/A GLY 597.A N GLN 595.A O no hydrogen 2.802 N/A GLU 598.A N ALA 594.A O no hydrogen 2.839 N/A LEU 600.A N SER 139.A OG no hydrogen 3.307 N/A ALA 604.A N THR 135.A O no hydrogen 2.879 N/A LYS 605.A NZ THR 290.A OG1 no hydrogen 2.822 N/A THR 606.A N ASP 603.A OD1 no hydrogen 2.869 N/A THR 606.A OG1 ASP 603.A OD1 no hydrogen 2.543 N/A LEU 607.A N ASP 603.A O no hydrogen 3.021 N/A ALA 608.A N ALA 604.A O no hydrogen 2.824 N/A ALA 609.A N LYS 605.A O no hydrogen 2.963 N/A LEU 610.A N LEU 607.A O no hydrogen 2.951 N/A ASN 611.A N ALA 608.A O no hydrogen 3.244 N/A ASN 613.A ND2 TRP 221.A O no hydrogen 3.027 N/A ARG 614.A N ASN 611.A O no hydrogen 3.269 N/A ARG 614.A NE ASP 536.A OD2 no hydrogen 2.868 N/A ARG 614.A NH1 PRO 539.A O no hydrogen 2.961 N/A ARG 614.A NH1 ASN 611.A O no hydrogen 3.107 N/A ARG 614.A NH2 ASP 536.A OD1 no hydrogen 2.853 N/A ARG 614.A NH2 ASP 536.A OD2 no hydrogen 3.400 N/A ARG 614.A NH2 LEU 538.A O no hydrogen 2.748 N/A ARG 614.A NH2 PRO 539.A O no hydrogen 3.176 N/A TRP 616.A N ASN 613.A O no hydrogen 3.117 N/A ILE 617.A N ASN 613.A O no hydrogen 3.037 N/A ARG 618.A N ARG 614.A O no hydrogen 2.916 N/A ARG 618.A NH1 ASP 536.A OD2 no hydrogen 3.226 N/A LEU 620.A N TRP 616.A O no hydrogen 3.131 N/A LEU 621.A N ILE 617.A O no hydrogen 2.992 N/A LYS 622.A N LYS 619.A O no hydrogen 2.793 N/A GLY 623.A N LYS 619.A O no hydrogen 3.201 N/A