Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a7q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ILE 156.A O no hydrogen 2.759 N/A LEU 6.A N ILE 156.A O no hydrogen 3.014 N/A ASP 8.A N VAL 154.A O no hydrogen 2.991 N/A PHE 10.A N ASP 8.A OD2 no hydrogen 2.874 N/A ARG 15.A N ASP 8.A OD1 no hydrogen 2.906 N/A ASN 18.A N ARG 15.A O no hydrogen 3.068 N/A ASN 18.A ND2 LEU 7.A O no hydrogen 2.980 N/A ASN 18.A ND2 ASP 8.A OD1 no hydrogen 3.063 N/A TRP 19.A N GLU 16.A O no hydrogen 3.248 N/A TRP 19.A NE1 ASP 8.A OD1 no hydrogen 2.844 N/A PHE 20.A N THR 51.A O no hydrogen 2.666 N/A PHE 21.A N THR 51.A O no hydrogen 3.347 N/A GLY 25.A N TYR 22.A O no hydrogen 3.081 N/A ASN 26.A N VAL 39.A O no hydrogen 2.831 N/A GLY 28.A N ALA 37.A O no hydrogen 2.962 N/A CYS 31.A SG GLN 113.A O no hydrogen 3.484 N/A TYR 33.A N CYS 31.A O no hydrogen 2.375 N/A SER 34.A OG TRP 115.A O no hydrogen 2.441 N/A ALA 37.A N GLY 28.A O no hydrogen 2.798 N/A MET 38.A N ILE 151.A O no hydrogen 3.051 N/A VAL 39.A N ASN 26.A O no hydrogen 2.786 N/A PHE 40.A N TRP 149.A O no hydrogen 2.662 N/A SER 42.A N THR 148.A OG1 no hydrogen 3.373 N/A SER 42.A OG PRO 146.A O no hydrogen 2.285 N/A SER 42.A OG THR 148.A OG1 no hydrogen 3.376 N/A GLU 44.A N VAL 41.A O no hydrogen 3.129 N/A GLY 46.A N TYR 140.A O no hydrogen 2.791 N/A HIS 48.A N GLY 138.A O no hydrogen 2.723 N/A HIS 48.A ND1 GLN 137.A OE1 no hydrogen 2.963 N/A HIS 48.A NE2 GLU 44.A O no hydrogen 2.570 N/A SER 49.A N PRO 23.A O no hydrogen 3.127 N/A SER 49.A OG GLU 47.A OE2 no hydrogen 2.690 N/A ILE 50.A N TRP 135.A O no hydrogen 3.169 N/A THR 51.A N PHE 21.A O no hydrogen 2.615 N/A THR 52.A N PHE 133.A O no hydrogen 2.854 N/A THR 52.A OG1 ARG 53.A O no hydrogen 2.671 N/A THR 52.A OG1 PHE 133.A O no hydrogen 3.496 N/A ARG 53.A N ASN 18.A O no hydrogen 2.847 N/A LEU 55.A N VAL 131.A O no hydrogen 2.804 N/A VAL 57.A N GLY 129.A O no hydrogen 3.111 N/A ASN 58.A N THR 61.A OG1 no hydrogen 2.849 N/A ASN 58.A ND2 ASN 2.A OD1 no hydrogen 2.754 N/A ASN 60.A N ASN 58.A OD1 no hydrogen 3.030 N/A ASN 60.A ND2 ASN 2.A OD1 no hydrogen 3.332 N/A THR 61.A N ASN 58.A O no hydrogen 3.124 N/A THR 61.A OG1 ASN 58.A O no hydrogen 3.191 N/A THR 61.A OG1 ASN 58.A OD1 no hydrogen 3.050 N/A ILE 62.A N GLY 157.A O no hydrogen 2.823 N/A ILE 63.A N VAL 120.A O no hydrogen 2.769 N/A GLN 64.A N TYR 155.A O no hydrogen 2.739 N/A GLN 64.A NE2 CYS 170.A O no hydrogen 3.028 N/A PHE 65.A N GLU 118.A O no hydrogen 3.048 N/A GLU 66.A N ASP 152.A O no hydrogen 2.819 N/A ILE 67.A N ARG 116.A O no hydrogen 3.078 N/A ASN 68.A N ALA 150.A O no hydrogen 3.028 N/A ASN 68.A ND2 GLN 113.A O no hydrogen 2.844 N/A GLY 70.A N THR 148.A O no hydrogen 2.920 N/A CYS 71.A N ASN 68.A OD1 no hydrogen 3.065 N/A SER 72.A OG ASP 74.A OD2 no hydrogen 3.480 N/A ASP 74.A N SER 72.A OG no hydrogen 3.066 N/A SER 76.A N ALA 109.A O no hydrogen 3.328 N/A ALA 78.A N SER 76.A OG no hydrogen 2.843 N/A VAL 81.A N TYR 107.A O no hydrogen 2.896 N/A ARG 82.A N TYR 136.A O no hydrogen 2.675 N/A ARG 82.A NE GLU 84.A OE2 no hydrogen 3.030 N/A ARG 82.A NH1 GLU 84.A OE2 no hydrogen 3.259 N/A LEU 83.A N SER 105.A O no hydrogen 2.925 N/A GLU 84.A N ARG 134.A O no hydrogen 3.054 N/A PHE 85.A N HIS 94.A O no hydrogen 2.771 N/A SER 86.A N ARG 132.A O no hydrogen 2.686 N/A SER 86.A OG THR 92.A O no hydrogen 2.797 N/A ASP 88.A N SER 86.A OG no hydrogen 3.361 N/A GLY 90.A N SER 86.A OG no hydrogen 3.060 N/A ALA 91.A N ASP 88.A O no hydrogen 3.384 N/A THR 92.A N ASP 88.A OD1 no hydrogen 2.976 N/A THR 92.A OG1 ASP 88.A OD2 no hydrogen 3.200 N/A HIS 94.A N PHE 85.A O no hydrogen 3.187 N/A LEU 96.A N LEU 83.A O no hydrogen 3.032 N/A LEU 97.A N SER 105.A OG no hydrogen 2.783 N/A CYS 100.A N HIS 102.A O no hydrogen 3.245 N/A CYS 100.A SG HIS 102.A O no hydrogen 3.874 N/A SER 104.A OG THR 106.A OG1 no hydrogen 2.503 N/A SER 105.A N LEU 97.A O no hydrogen 2.630 N/A SER 105.A OG LEU 83.A O no hydrogen 3.092 N/A SER 105.A OG LEU 97.A O no hydrogen 3.105 N/A THR 106.A OG1 SER 104.A OG no hydrogen 2.503 N/A TYR 107.A N VAL 81.A O no hydrogen 2.669 N/A THR 111.A OG1 TYR 108.A O no hydrogen 3.513 N/A THR 111.A OG1 SER 210.A OG no hydrogen 3.397 N/A THR 112.A OG1 GLY 114.A O no hydrogen 3.016 N/A TRP 115.A N TYR 33.A O no hydrogen 3.369 N/A TRP 115.A NE1 TYR 30.A O no hydrogen 3.030 N/A TRP 115.A NE1 CYS 31.A O no hydrogen 3.071 N/A ARG 116.A N ILE 67.A O no hydrogen 2.981 N/A ARG 117.A NH1 ASP 179.A OD1 no hydrogen 3.138 N/A ARG 117.A NH2 ASP 179.A OD1 no hydrogen 3.081 N/A ARG 117.A NH2 ASP 179.A OD2 no hydrogen 2.772 N/A GLU 118.A N PHE 65.A O no hydrogen 2.850 N/A VAL 120.A N ILE 63.A O no hydrogen 2.908 N/A HIS 121.A NE2 GLN 159.A OE1 no hydrogen 3.044 N/A GLY 123.A N THR 61.A O no hydrogen 3.077 N/A LYS 124.A N HIS 121.A ND1 no hydrogen 2.923 N/A LYS 124.A N HIS 121.A O no hydrogen 3.343 N/A LEU 125.A N PHE 122.A O no hydrogen 3.009 N/A HIS 126.A N PHE 122.A O no hydrogen 2.616 N/A HIS 126.A NE2 LEU 96.A O no hydrogen 2.762 N/A GLY 129.A N VAL 57.A O no hydrogen 3.114 N/A VAL 131.A N LEU 55.A O no hydrogen 2.760 N/A ARG 132.A N SER 86.A O no hydrogen 2.760 N/A ARG 132.A NE ASP 54.A OD1 no hydrogen 2.674 N/A ARG 132.A NH2 ASP 54.A OD1 no hydrogen 3.181 N/A ARG 132.A NH2 ASP 54.A OD2 no hydrogen 2.651 N/A PHE 133.A N THR 52.A OG1 no hydrogen 3.105 N/A ARG 134.A N GLU 84.A O no hydrogen 3.124 N/A ARG 134.A NE GLU 84.A OE1 no hydrogen 2.905 N/A ARG 134.A NH2 GLU 84.A OE1 no hydrogen 2.763 N/A TRP 135.A N ILE 50.A O no hydrogen 2.993 N/A TYR 136.A N ARG 82.A O no hydrogen 2.809 N/A GLN 137.A N HIS 48.A O no hydrogen 3.146 N/A GLN 137.A NE2 ASP 79.A O no hydrogen 3.050 N/A GLN 137.A NE2 VAL 147.A O no hydrogen 2.929 N/A TYR 140.A N GLY 46.A O no hydrogen 2.933 N/A TYR 140.A OH ASP 79.A OD1 no hydrogen 2.606 N/A SER 144.A N PRO 141.A O no hydrogen 3.110 N/A SER 144.A OG PRO 141.A O no hydrogen 2.761 N/A THR 148.A OG1 SER 42.A OG no hydrogen 3.376 N/A TRP 149.A N PHE 40.A O no hydrogen 3.220 N/A ALA 150.A N ASN 68.A O no hydrogen 3.100 N/A ILE 151.A N MET 38.A O no hydrogen 3.094 N/A ASP 152.A N GLU 66.A O no hydrogen 2.912 N/A ASN 153.A N ASP 152.A OD1 no hydrogen 2.710 N/A VAL 154.A N ASP 8.A O no hydrogen 3.010 N/A TYR 155.A N GLN 64.A O no hydrogen 2.658 N/A TYR 155.A OH PRO 158.A O no hydrogen 2.558 N/A ILE 156.A N LEU 6.A O no hydrogen 2.859 N/A GLY 157.A N ILE 62.A O no hydrogen 3.242 N/A GLN 159.A N ASN 60.A O no hydrogen 2.761 N/A GLN 159.A NE2 CYS 160.A O no hydrogen 2.836 N/A CYS 160.A SG ILE 171.A O no hydrogen 4.010 N/A CYS 160.A SG LYS 175.A O no hydrogen 3.351 N/A CYS 164.A N GLU 161.A O no hydrogen 2.925 N/A CYS 164.A SG SER 169.A O no hydrogen 3.992 N/A TYR 165.A N GLU 162.A O no hydrogen 2.963 N/A GLY 166.A N MET 163.A O no hydrogen 3.501 N/A HIS 167.A N CYS 164.A O no hydrogen 2.973 N/A SER 169.A N ILE 177.A O no hydrogen 2.946 N/A CYS 170.A N GLN 64.A OE1 no hydrogen 2.917 N/A CYS 170.A SG PRO 158.A O no hydrogen 3.831 N/A ILE 171.A N LYS 175.A O no hydrogen 2.856 N/A THR 174.A N ILE 171.A O no hydrogen 3.176 N/A LYS 175.A N ILE 171.A O no hydrogen 3.361 N/A ILE 177.A N SER 169.A O no hydrogen 2.751 N/A CYS 178.A SG GLY 184.A O no hydrogen 3.459 N/A ASP 179.A N HIS 167.A O no hydrogen 2.795 N/A TYR 182.A N ASP 179.A O no hydrogen 2.896 N/A TYR 182.A OH SER 312.A OG no hydrogen 3.190 N/A SER 183.A N ILE 189.A O no hydrogen 3.367 N/A THR 186.A OG1 GLU 161.A O no hydrogen 3.083 N/A CYS 187.A N GLY 184.A O no hydrogen 2.860 N/A CYS 187.A SG HIS 167.A O no hydrogen 3.307 N/A SER 190.A OG SER 312.A OG no hydrogen 3.420 N/A THR 191.A N GLY 181.A O no hydrogen 3.229 N/A LYS 192.A NZ ASN 193.A O no hydrogen 3.128 N/A LYS 192.A NZ ASP 243.A OD2 no hydrogen 2.583 N/A ASN 193.A ND2 SER 190.A OG no hydrogen 3.135 N/A ASN 193.A ND2 GLY 311.A O no hydrogen 2.504 N/A LEU 197.A N ILE 337.A O no hydrogen 2.773 N/A LYS 198.A NZ SER 356.A OG no hydrogen 3.396 N/A LYS 198.A NZ LEU 360.A O no hydrogen 2.928 N/A ASP 199.A N ILE 335.A O no hydrogen 2.827 N/A ASP 200.A N ASP 200.A OD2 no hydrogen 2.513 N/A PHE 201.A N ASP 199.A OD2 no hydrogen 2.898 N/A ARG 205.A NE ASP 199.A OD1 no hydrogen 2.973 N/A ARG 205.A NH2 ASP 199.A OD1 no hydrogen 3.070 N/A LEU 207.A N VAL 238.A O no hydrogen 2.779 N/A SER 210.A N MET 236.A O no hydrogen 2.708 N/A SER 210.A OG THR 111.A OG1 no hydrogen 3.397 N/A SER 210.A OG LEU 234.A O no hydrogen 2.628 N/A GLY 211.A N SER 75.A OG no hydrogen 3.045 N/A LYS 213.A N PHE 228.A O no hydrogen 3.230 N/A SER 215.A N ASN 226.A O no hydrogen 2.738 N/A CYS 218.A SG GLY 257.A O no hydrogen 4.034 N/A GLY 224.A N LEU 221.A O no hydrogen 3.366 N/A ASN 225.A N GLU 202.A OE1 no hydrogen 2.574 N/A ASN 226.A N SER 215.A O no hydrogen 2.703 N/A ASN 226.A ND2 LYS 217.A O no hydrogen 3.214 N/A LEU 227.A N ILE 332.A O no hydrogen 2.974 N/A PHE 228.A N LYS 213.A O no hydrogen 2.790 N/A PHE 229.A N TRP 330.A O no hydrogen 2.962 N/A GLY 233.A N GLY 324.A O no hydrogen 2.663 N/A ARG 235.A NE GLU 231.A O no hydrogen 2.765 N/A ARG 235.A NH1 GLN 319.A OE1 no hydrogen 3.295 N/A ARG 235.A NH2 GLU 231.A O no hydrogen 2.781 N/A MET 236.A N SER 210.A O no hydrogen 2.898 N/A LEU 237.A N TRP 317.A O no hydrogen 2.781 N/A VAL 238.A N LEU 208.A O no hydrogen 3.013 N/A THR 239.A N LEU 315.A O no hydrogen 2.860 N/A THR 239.A OG1 ARG 240.A O no hydrogen 2.964 N/A THR 239.A OG1 LEU 315.A O no hydrogen 3.542 N/A ARG 240.A N ARG 205.A O no hydrogen 2.908 N/A ARG 240.A NH1 ASP 204.A OD2 no hydrogen 3.286 N/A LEU 242.A N THR 313.A O no hydrogen 2.645 N/A ASP 243.A N PRO 194.A O no hydrogen 2.870 N/A LEU 244.A N SER 310.A O no hydrogen 2.994 N/A SER 245.A N ASP 243.A OD1 no hydrogen 3.027 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.595 N/A SER 245.A OG HIS 246.A ND1 no hydrogen 3.400 N/A HIS 246.A NE2 ASP 195.A OD1 no hydrogen 2.740 N/A ALA 247.A N LEU 244.A O no hydrogen 3.243 N/A ARG 248.A N GLY 338.A O no hydrogen 2.824 N/A PHE 249.A N GLY 338.A O no hydrogen 3.020 N/A VAL 250.A N LEU 302.A O no hydrogen 2.907 N/A GLN 251.A N LEU 336.A O no hydrogen 2.877 N/A PHE 252.A N ILE 300.A O no hydrogen 2.852 N/A PHE 253.A N ASP 333.A O no hydrogen 2.633 N/A MET 254.A N ARG 298.A O no hydrogen 2.907 N/A ARG 255.A N VAL 331.A O no hydrogen 2.994 N/A LEU 256.A N SER 294.A O no hydrogen 3.204 N/A GLY 257.A N PRO 329.A O no hydrogen 3.087 N/A GLY 259.A N ASN 295.A OD1 no hydrogen 3.456 N/A SER 267.A N ASP 264.A O no hydrogen 3.259 N/A SER 267.A OG ASP 264.A O no hydrogen 2.778 N/A SER 267.A OG SER 328.A OG no hydrogen 2.491 N/A VAL 270.A N PHE 288.A O no hydrogen 3.026 N/A LEU 271.A N TRP 318.A O no hydrogen 2.755 N/A LEU 272.A N GLN 286.A O no hydrogen 2.957 N/A GLN 273.A N ARG 316.A O no hydrogen 2.868 N/A GLN 273.A NE2 HIS 101.A O no hydrogen 3.539 N/A TYR 274.A N SER 283.A O no hydrogen 2.942 N/A SER 275.A N ARG 314.A O no hydrogen 3.006 N/A SER 275.A OG ASN 277.A OD1 no hydrogen 2.986 N/A SER 275.A OG SER 281.A O no hydrogen 2.917 N/A ASN 277.A ND2 SER 281.A OG no hydrogen 2.633 N/A GLY 279.A N SER 275.A OG no hydrogen 3.014 N/A LEU 280.A N ASN 277.A O no hydrogen 3.191 N/A SER 281.A N ASN 277.A OD1 no hydrogen 3.273 N/A TRP 282.A NE1 GLY 279.A O no hydrogen 2.825 N/A SER 283.A N TYR 274.A O no hydrogen 2.869 N/A LEU 285.A N LEU 272.A O no hydrogen 2.720 N/A GLN 286.A N LEU 272.A O no hydrogen 3.100 N/A PHE 288.A N VAL 270.A O no hydrogen 2.842 N/A SER 291.A N SER 294.A OG no hydrogen 3.196 N/A SER 291.A OG SER 293.A OG no hydrogen 3.337 N/A SER 293.A N SER 291.A OG no hydrogen 3.173 N/A SER 293.A OG SER 291.A OG no hydrogen 3.337 N/A SER 294.A N SER 291.A O no hydrogen 2.907 N/A SER 294.A OG LEU 256.A O no hydrogen 2.735 N/A SER 294.A OG SER 291.A O no hydrogen 3.085 N/A ASN 295.A ND2 GLY 259.A O no hydrogen 3.011 N/A ARG 298.A N MET 254.A O no hydrogen 3.050 N/A TYR 299.A OH GLN 251.A OE1 no hydrogen 2.902 N/A TYR 299.A OH LEU 427.A O no hydrogen 2.703 N/A ILE 300.A N PHE 252.A O no hydrogen 2.952 N/A LEU 302.A N VAL 250.A O no hydrogen 2.794 N/A MET 304.A N ARG 248.A O no hydrogen 3.170 N/A ALA 308.A N PRO 305.A O no hydrogen 3.007 N/A ARG 309.A N LEU 306.A O no hydrogen 3.080 N/A ARG 309.A NH1 SER 245.A O no hydrogen 3.309 N/A ARG 309.A NH1 ALA 247.A O no hydrogen 2.545 N/A ARG 309.A NH2 ALA 247.A O no hydrogen 2.783 N/A SER 310.A OG THR 313.A OG1 no hydrogen 3.024 N/A SER 312.A N SER 310.A OG no hydrogen 3.347 N/A SER 312.A OG TYR 182.A OH no hydrogen 3.190 N/A SER 312.A OG SER 190.A OG no hydrogen 3.420 N/A THR 313.A N LEU 242.A O no hydrogen 2.689 N/A THR 313.A OG1 ALA 308.A O no hydrogen 2.589 N/A THR 313.A OG1 SER 310.A OG no hydrogen 3.024 N/A ARG 314.A N SER 275.A O no hydrogen 2.965 N/A ARG 314.A NE ASP 241.A OD1 no hydrogen 2.799 N/A ARG 314.A NH2 ASP 241.A OD1 no hydrogen 3.187 N/A ARG 314.A NH2 ASP 241.A OD2 no hydrogen 2.582 N/A LEU 315.A N THR 239.A OG1 no hydrogen 2.783 N/A ARG 316.A N GLN 273.A O no hydrogen 2.806 N/A ARG 316.A NE GLN 273.A OE1 no hydrogen 2.828 N/A ARG 316.A NH2 GLN 273.A OE1 no hydrogen 3.128 N/A TRP 317.A N LEU 237.A O no hydrogen 2.850 N/A TRP 318.A N LEU 271.A O no hydrogen 2.927 N/A GLN 319.A N ARG 235.A O no hydrogen 2.892 N/A GLN 319.A NE2 GLN 268.A O no hydrogen 2.779 N/A GLN 319.A NE2 SER 328.A O no hydrogen 3.624 N/A SER 328.A OG SER 267.A OG no hydrogen 2.491 N/A TRP 330.A N PHE 229.A O no hydrogen 3.351 N/A VAL 331.A N ARG 255.A O no hydrogen 3.067 N/A ILE 332.A N LEU 227.A O no hydrogen 3.157 N/A ASP 333.A N PHE 253.A O no hydrogen 2.889 N/A GLN 334.A N ASP 333.A OD1 no hydrogen 2.740 N/A ILE 335.A N ASP 199.A O no hydrogen 2.996 N/A LEU 336.A N GLN 251.A O no hydrogen 2.918 N/A ILE 337.A N LEU 197.A O no hydrogen 2.799 N/A GLY 338.A N PHE 249.A O no hydrogen 3.194 N/A ILE 341.A N HIS 246.A O no hydrogen 2.865 N/A SER 342.A OG ASN 344.A OD1 no hydrogen 2.952 N/A GLY 343.A N ASN 340.A O no hydrogen 3.144 N/A THR 345.A OG1 ASP 503.A OD1 no hydrogen 2.698 N/A THR 345.A OG1 ASP 503.A OD2 no hydrogen 3.328 N/A LEU 347.A N ILE 501.A O no hydrogen 3.057 N/A ASP 349.A N VAL 499.A O no hydrogen 2.764 N/A PHE 351.A N ASP 349.A OD1 no hydrogen 2.784 N/A SER 352.A N ASP 350.A OD1 no hydrogen 3.226 N/A ARG 357.A N ASP 355.A OD1 no hydrogen 2.987 N/A ARG 357.A NE ASP 355.A OD1 no hydrogen 2.986 N/A ARG 357.A NH2 ASP 355.A OD2 no hydrogen 2.664 N/A LYS 358.A NZ GLU 348.A O no hydrogen 3.263 N/A TRP 359.A N ASP 355.A O no hydrogen 3.115 N/A TRP 359.A NE1 ASP 349.A OD2 no hydrogen 2.563 N/A GLY 365.A N HIS 362.A O no hydrogen 3.062 N/A THR 366.A N VAL 379.A O no hydrogen 2.588 N/A THR 366.A OG1 GLU 382.A OE2 no hydrogen 3.096 N/A LYS 367.A NZ SER 352.A O no hydrogen 2.871 N/A LYS 367.A NZ ASP 376.A OD2 no hydrogen 2.478 N/A MET 368.A N ALA 377.A O no hydrogen 3.069 N/A VAL 370.A N SER 373.A OG no hydrogen 3.190 N/A SER 373.A OG VAL 370.A O no hydrogen 3.471 N/A SER 373.A OG GLY 375.A O no hydrogen 3.017 N/A ALA 377.A N MET 368.A O no hydrogen 2.653 N/A LEU 378.A N ILE 496.A O no hydrogen 3.000 N/A VAL 379.A N THR 366.A O no hydrogen 2.780 N/A PHE 380.A N TRP 494.A O no hydrogen 2.878 N/A ARG 387.A NH1 GLN 484.A OE1 no hydrogen 3.150 N/A ARG 387.A NH1 LYS 490.A O no hydrogen 3.298 N/A ARG 387.A NH2 GLU 382.A O no hydrogen 2.954 N/A ARG 387.A NH2 LYS 490.A O no hydrogen 2.857 N/A TYR 388.A N PRO 363.A O no hydrogen 3.206 N/A VAL 389.A N TRP 482.A O no hydrogen 3.143 N/A VAL 390.A N LEU 361.A O no hydrogen 2.880 N/A THR 391.A N PHE 480.A O no hydrogen 2.789 N/A THR 391.A OG1 THR 392.A O no hydrogen 3.094 N/A THR 391.A OG1 PHE 480.A O no hydrogen 3.391 N/A THR 392.A N LYS 358.A O no hydrogen 2.824 N/A ILE 394.A N THR 478.A O no hydrogen 3.107 N/A ALA 395.A N ASN 344.A O no hydrogen 2.772 N/A VAL 396.A N SER 475.A O no hydrogen 2.847 N/A ASN 397.A N SER 400.A OG no hydrogen 2.809 N/A ASN 397.A ND2 ASP 503.A OD2 no hydrogen 3.067 N/A ASP 399.A N ASN 397.A OD1 no hydrogen 2.973 N/A SER 400.A N ASN 397.A O no hydrogen 3.172 N/A SER 400.A OG ASN 397.A O no hydrogen 3.190 N/A PHE 401.A N GLY 502.A O no hydrogen 2.983 N/A LEU 402.A N LEU 467.A O no hydrogen 2.759 N/A GLN 403.A N TYR 500.A O no hydrogen 2.693 N/A GLN 403.A NE2 THR 466.A OG1 no hydrogen 2.756 N/A GLN 403.A NE2 GLY 513.A O no hydrogen 3.096 N/A ILE 404.A N ILE 465.A O no hydrogen 3.075 N/A ASP 405.A N ASP 497.A O no hydrogen 2.846 N/A PHE 406.A N THR 463.A O no hydrogen 2.933 N/A ALA 407.A N ALA 495.A O no hydrogen 2.959 N/A ALA 408.A N PHE 459.A O no hydrogen 2.757 N/A SER 409.A OG THR 413.A O no hydrogen 3.349 N/A CYS 410.A N.A ASN 460.A O no hydrogen 3.150 N/A CYS 410.A N.B ASN 460.A O no hydrogen 3.151 N/A CYS 410.A SG.B ALA 408.A O no hydrogen 3.391 N/A CYS 410.A SG.B ASN 460.A O no hydrogen 3.268 N/A SER 411.A N ASN 460.A OD1 no hydrogen 2.900 N/A VAL 412.A N SER 409.A O no hydrogen 3.354 N/A VAL 412.A N SER 409.A OG no hydrogen 3.154 N/A THR 413.A N SER 409.A OG no hydrogen 3.078 N/A THR 413.A OG1 SER 415.A OG no hydrogen 3.107 N/A SER 415.A N THR 413.A OG1 no hydrogen 3.331 N/A SER 415.A OG THR 413.A OG1 no hydrogen 3.107 N/A CYS 416.A SG GLY 581.A O no hydrogen 4.036 N/A TYR 417.A N SER 456.A OG no hydrogen 3.150 N/A TYR 417.A OH THR 493.A O no hydrogen 2.683 N/A ILE 419.A N LEU 454.A O no hydrogen 2.922 N/A GLU 420.A N HIS 483.A O no hydrogen 2.754 N/A GLU 422.A N ARG 481.A O no hydrogen 2.712 N/A TYR 423.A N HIS 432.A O no hydrogen 2.768 N/A SER 424.A N ARG 479.A O no hydrogen 2.842 N/A SER 424.A OG ASP 426.A OD2 no hydrogen 2.851 N/A SER 424.A OG SER 430.A O no hydrogen 3.037 N/A ASP 426.A N SER 424.A OG no hydrogen 3.302 N/A GLY 428.A N SER 424.A OG no hydrogen 2.871 N/A LEU 429.A N ASP 426.A O no hydrogen 3.272 N/A SER 430.A OG ASP 426.A OD1 no hydrogen 2.892 N/A SER 430.A OG ASP 426.A OD2 no hydrogen 3.195 N/A HIS 432.A N TYR 423.A O no hydrogen 2.965 N/A LEU 434.A N LEU 421.A O no hydrogen 3.070 N/A CYS 438.A N HIS 449.A O no hydrogen 2.921 N/A CYS 438.A SG GLU 444.A OE1 no hydrogen 3.843 N/A THR 441.A N LEU 439.A O no hydrogen 2.488 N/A THR 441.A OG1 LEU 439.A O no hydrogen 3.026 N/A CYS 445.A N ASN 442.A O no hydrogen 3.088 N/A CYS 445.A SG GLU 444.A O no hydrogen 3.238 N/A CYS 445.A SG GLU 444.A OE2 no hydrogen 3.456 N/A ARG 447.A NH1 TRP 630.A O no hydrogen 2.609 N/A ARG 447.A NH1 ASN 631.A OD1 no hydrogen 2.619 N/A ARG 447.A NH2 ASN 631.A OD1 no hydrogen 2.918 N/A HIS 449.A N CYS 438.A O no hydrogen 3.133 N/A GLN 451.A N ASP 437.A OD1 no hydrogen 2.632 N/A VAL 455.A N ILE 453.A O no hydrogen 2.866 N/A SER 456.A N TYR 417.A O no hydrogen 2.844 N/A SER 456.A OG SER 415.A O no hydrogen 2.736 N/A SER 456.A OG TYR 417.A O no hydrogen 3.420 N/A THR 458.A N ASP 457.A OD2 no hydrogen 2.782 N/A THR 458.A OG1 ASP 457.A OD2 no hydrogen 3.495 N/A THR 458.A OG1 SER 583.A OG no hydrogen 3.310 N/A PHE 459.A N VAL 455.A O no hydrogen 3.110 N/A ASN 460.A N ASP 457.A O no hydrogen 3.407 N/A ASN 460.A ND2 SER 411.A OG no hydrogen 2.999 N/A TRP 462.A NE1 VAL 370.A O no hydrogen 2.841 N/A THR 463.A N PHE 406.A O no hydrogen 3.104 N/A THR 463.A OG1 LYS 461.A O no hydrogen 3.033 N/A ARG 464.A NH1 ASP 523.A OD1 no hydrogen 2.762 N/A ARG 464.A NH1 ASP 523.A OD2 no hydrogen 3.254 N/A ARG 464.A NH2 GLY 511.A O no hydrogen 3.210 N/A ARG 464.A NH2 ASP 523.A OD2 no hydrogen 2.797 N/A ILE 465.A N ILE 404.A O no hydrogen 2.823 N/A LEU 467.A N LEU 402.A O no hydrogen 2.686 N/A LEU 469.A N SER 400.A O no hydrogen 2.898 N/A TYR 472.A OH LEU 434.A O no hydrogen 2.735 N/A THR 473.A N PRO 470.A O no hydrogen 2.902 N/A THR 473.A OG1 PRO 470.A O no hydrogen 2.793 N/A ARG 474.A N SER 471.A O no hydrogen 2.892 N/A SER 475.A OG THR 478.A OG1 no hydrogen 2.598 N/A ALA 477.A N SER 475.A OG no hydrogen 3.153 N/A THR 478.A N ILE 394.A O no hydrogen 2.939 N/A THR 478.A OG1 THR 473.A O no hydrogen 2.687 N/A THR 478.A OG1 SER 475.A OG no hydrogen 2.598 N/A ARG 479.A N SER 424.A O no hydrogen 2.838 N/A ARG 479.A NE ASP 393.A OD1 no hydrogen 2.944 N/A ARG 479.A NH1 GLN 251.A OE1 no hydrogen 2.774 N/A ARG 479.A NH2 GLN 251.A OE1 no hydrogen 3.315 N/A ARG 479.A NH2 ASP 393.A OD2 no hydrogen 3.137 N/A PHE 480.A N THR 391.A OG1 no hydrogen 2.594 N/A ARG 481.A N GLU 422.A O no hydrogen 2.956 N/A ARG 481.A NE GLU 422.A OE1 no hydrogen 2.678 N/A ARG 481.A NH2 GLU 422.A OE1 no hydrogen 2.605 N/A ARG 481.A NH2 GLU 422.A OE2 no hydrogen 3.218 N/A TRP 482.A N VAL 389.A O no hydrogen 3.136 N/A HIS 483.A N GLU 420.A O no hydrogen 2.724 N/A GLN 484.A N ARG 387.A O no hydrogen 3.083 N/A GLN 484.A NE2 GLN 492.A O no hydrogen 2.986 N/A ASP 489.A N GLN 492.A OE1 no hydrogen 3.132 N/A GLN 491.A N GLN 491.A OE1 no hydrogen 2.755 N/A GLN 492.A N ASP 489.A O no hydrogen 3.398 N/A TRP 494.A N PHE 380.A O no hydrogen 3.428 N/A TRP 494.A NE1 GLN 484.A OE1 no hydrogen 2.866 N/A ALA 495.A N ALA 407.A O no hydrogen 2.784 N/A ILE 496.A N LEU 378.A O no hydrogen 3.013 N/A ASP 497.A N ASP 405.A O no hydrogen 3.091 N/A ASN 498.A N ASP 497.A OD1 no hydrogen 2.717 N/A ASN 498.A ND2 ASP 405.A OD2 no hydrogen 2.819 N/A VAL 499.A N ASP 349.A O no hydrogen 2.879 N/A TYR 500.A N GLN 403.A O no hydrogen 2.709 N/A ILE 501.A N LEU 347.A O no hydrogen 2.982 N/A GLY 502.A N PHE 401.A O no hydrogen 2.963 N/A GLY 504.A N TYR 500.A OH no hydrogen 2.739 N/A MET 508.A N CYS 505.A O no hydrogen 3.089 N/A SER 510.A N ASP 507.A O no hydrogen 3.233 N/A SER 510.A OG TYR 530.A O no hydrogen 3.172 N/A GLY 511.A N MET 508.A O no hydrogen 3.459 N/A HIS 512.A N CYS 509.A O no hydrogen 3.138 N/A HIS 512.A NE2 ASP 590.A OD2 no hydrogen 2.972 N/A ARG 514.A N VAL 521.A O no hydrogen 2.902 N/A ARG 514.A NH2 ASP 405.A OD1 no hydrogen 2.787 N/A CYS 515.A N GLN 403.A OE1 no hydrogen 3.193 N/A VAL 516.A N SER 519.A O no hydrogen 2.696 N/A GLN 517.A N GLU 348.A OE1 no hydrogen 3.074 N/A SER 519.A N VAL 516.A O no hydrogen 3.411 N/A VAL 521.A N ARG 514.A O no hydrogen 2.877 N/A CYS 522.A SG GLY 528.A O no hydrogen 3.518 N/A ASP 523.A N HIS 512.A O no hydrogen 2.765 N/A TRP 526.A N ASP 523.A O no hydrogen 3.098 N/A GLY 527.A N GLU 533.A O no hydrogen 2.777 N/A GLU 533.A N GLY 527.A O no hydrogen 3.443 N/A GLU 535.A N GLN 525.A O no hydrogen 2.553 N/A LEU 542.A N ILE 684.A O no hydrogen 2.933 N/A ASP 544.A N VAL 682.A O no hydrogen 2.891 N/A ASN 545.A N ASN 545.A OD1 no hydrogen 2.422 N/A PHE 546.A N ASP 544.A OD1 no hydrogen 2.880 N/A GLN 553.A N SER 551.A OG no hydrogen 2.910 N/A ASN 554.A N SER 551.A O no hydrogen 3.281 N/A TRP 555.A N SER 551.A O no hydrogen 3.144 N/A TRP 555.A NE1 ASP 544.A OD2 no hydrogen 2.806 N/A LEU 556.A N VAL 587.A O no hydrogen 2.830 N/A THR 557.A N VAL 587.A O no hydrogen 3.478 N/A SER 559.A N LEU 585.A O no hydrogen 2.847 N/A LYS 562.A N HIS 577.A O no hydrogen 2.806 N/A SER 564.A N ALA 575.A O no hydrogen 3.193 N/A VAL 566.A N SER 564.A OG no hydrogen 2.955 N/A GLY 568.A N THR 565.A O no hydrogen 2.654 N/A ALA 571.A N ASP 680.A OD1 no hydrogen 3.367 N/A SER 572.A N ASP 680.A OD1 no hydrogen 3.142 N/A ALA 575.A N SER 564.A O no hydrogen 3.354 N/A LEU 576.A N ILE 679.A O no hydrogen 3.171 N/A HIS 577.A N LYS 562.A O no hydrogen 2.728 N/A HIS 577.A NE2 ASP 676.A OD1 no hydrogen 2.741 N/A PHE 578.A N TRP 677.A O no hydrogen 2.785 N/A SER 579.A N GLY 560.A O no hydrogen 3.157 N/A SER 579.A OG ASP 673.A OD1 no hydrogen 2.884 N/A GLY 580.A N GLY 560.A O no hydrogen 3.055 N/A CYS 582.A SG ASP 457.A OD2 no hydrogen 3.827 N/A SER 583.A N ASP 457.A OD1 no hydrogen 2.900 N/A SER 583.A OG ASP 457.A OD2 no hydrogen 2.839 N/A SER 583.A OG THR 458.A OG1 no hydrogen 3.310 N/A ARG 584.A NE GLY 580.A O no hydrogen 2.858 N/A ARG 584.A NH1 GLN 666.A OE1 no hydrogen 2.936 N/A ARG 584.A NH1 GLN 674.A O no hydrogen 2.666 N/A ARG 584.A NH2 GLY 580.A O no hydrogen 2.928 N/A ARG 584.A NH2 GLN 674.A O no hydrogen 2.852 N/A LEU 585.A N SER 559.A O no hydrogen 2.873 N/A LEU 586.A N TRP 664.A O no hydrogen 2.710 N/A VAL 587.A N THR 557.A O no hydrogen 3.027 N/A THR 588.A N PHE 662.A O no hydrogen 2.805 N/A THR 588.A OG1 VAL 589.A O no hydrogen 2.733 N/A VAL 589.A N ASN 554.A O no hydrogen 2.850 N/A LEU 591.A N THR 660.A O no hydrogen 2.713 N/A ASN 592.A N PRO 539.A O no hydrogen 2.878 N/A LEU 593.A N GLU 657.A O no hydrogen 2.895 N/A THR 594.A N ASN 592.A OD1 no hydrogen 3.198 N/A THR 594.A OG1 ASN 592.A OD1 no hydrogen 2.656 N/A ALA 596.A N LEU 593.A O no hydrogen 3.198 N/A GLU 597.A N SER 685.A O no hydrogen 2.971 N/A PHE 598.A N SER 685.A O no hydrogen 3.243 N/A ILE 599.A N ILE 649.A O no hydrogen 2.971 N/A GLN 600.A N LEU 683.A O no hydrogen 2.830 N/A PHE 601.A N VAL 647.A O no hydrogen 3.241 N/A TYR 602.A N ASP 680.A O no hydrogen 2.822 N/A PHE 603.A N GLY 645.A O no hydrogen 2.776 N/A MET 604.A N ALA 678.A O no hydrogen 3.162 N/A TYR 605.A N TYR 641.A O no hydrogen 2.735 N/A TYR 605.A OH ILE 636.A O no hydrogen 2.814 N/A GLY 606.A N ASP 676.A O no hydrogen 2.925 N/A CYS 607.A N ASP 676.A OD1 no hydrogen 2.632 N/A CYS 607.A SG HIS 577.A NE2 no hydrogen 3.840 N/A LEU 608.A N ASP 676.A OD1 no hydrogen 3.390 N/A LEU 608.A N ASP 676.A OD2 no hydrogen 2.828 N/A ILE 609.A N ASP 676.A OD2 no hydrogen 2.965 N/A THR 610.A OG1 PRO 611.A O no hydrogen 3.452 N/A SER 612.A N GLN 616.A OE1 no hydrogen 2.623 N/A SER 612.A OG ASP 670.A OD2 no hydrogen 3.269 N/A ASN 613.A N GLN 616.A OE1 no hydrogen 3.425 N/A ARG 614.A NE GLU 635.A OE2 no hydrogen 2.772 N/A ARG 614.A NH2 GLU 635.A OE1 no hydrogen 2.899 N/A ARG 614.A NH2 GLU 635.A OE2 no hydrogen 3.334 N/A GLN 616.A N ASN 613.A O no hydrogen 2.809 N/A GLY 617.A N ARG 614.A O no hydrogen 2.837 N/A VAL 618.A N TYR 605.A OH no hydrogen 2.617 N/A LEU 619.A N TRP 665.A O no hydrogen 3.068 N/A LEU 620.A N MET 634.A O no hydrogen 2.796 N/A GLU 621.A N ARG 663.A O no hydrogen 3.049 N/A TYR 622.A N ASN 631.A O no hydrogen 2.935 N/A SER 623.A N ARG 661.A O no hydrogen 2.976 N/A SER 623.A OG THR 629.A O no hydrogen 2.545 N/A ASN 625.A N SER 623.A OG no hydrogen 3.428 N/A ASN 625.A ND2 THR 629.A OG1 no hydrogen 2.713 N/A GLY 627.A N SER 623.A OG no hydrogen 3.114 N/A ILE 628.A N ASN 625.A O no hydrogen 3.237 N/A THR 629.A N ASN 625.A OD1 no hydrogen 2.779 N/A ASN 631.A N TYR 622.A O no hydrogen 2.809 N/A ASN 631.A ND2 TYR 622.A O no hydrogen 3.512 N/A LEU 633.A N LEU 620.A O no hydrogen 2.744 N/A MET 634.A N LEU 620.A O no hydrogen 3.112 N/A ILE 636.A N VAL 618.A O no hydrogen 2.851 N/A GLN 640.A NE2 ASP 639.A OD1 no hydrogen 2.713 N/A GLY 645.A N PHE 603.A O no hydrogen 2.863 N/A VAL 647.A N PHE 601.A O no hydrogen 2.922 N/A ASN 648.A ND2 GLN 600.A OE1 no hydrogen 2.586 N/A ILE 649.A N ILE 599.A O no hydrogen 3.037 N/A LEU 651.A N GLU 597.A O no hydrogen 3.048 N/A ALA 655.A N PRO 652.A O no hydrogen 2.956 N/A LYS 656.A N PRO 653.A O no hydrogen 3.068 N/A LYS 656.A NZ ALA 596.A O no hydrogen 3.168 N/A THR 660.A N LEU 591.A O no hydrogen 2.629 N/A THR 660.A OG1 ALA 655.A O no hydrogen 2.749 N/A ARG 661.A N SER 623.A O no hydrogen 2.989 N/A ARG 661.A NE ASP 590.A OD1 no hydrogen 2.468 N/A ARG 661.A NH2 ASP 590.A OD1 no hydrogen 2.979 N/A ARG 661.A NH2 ASP 590.A OD2 no hydrogen 2.756 N/A PHE 662.A N THR 588.A OG1 no hydrogen 2.772 N/A ARG 663.A N GLU 621.A O no hydrogen 3.108 N/A ARG 663.A NH2 GLU 621.A OE2 no hydrogen 3.146 N/A TRP 664.A N LEU 586.A O no hydrogen 2.688 N/A TRP 665.A N LEU 619.A O no hydrogen 3.103 N/A TRP 665.A NE1 GLU 621.A OE2 no hydrogen 2.540 N/A GLN 666.A N ARG 584.A O no hydrogen 2.982 N/A GLN 666.A NE2 GLN 616.A O no hydrogen 2.680 N/A GLN 666.A NE2 ASN 675.A O no hydrogen 3.030 N/A ARG 668.A NH2 ASP 437.A OD2 no hydrogen 2.791 N/A HIS 669.A NE2 CYS 582.A O no hydrogen 2.732 N/A ASP 670.A N ASN 675.A OD1 no hydrogen 2.816 N/A GLY 671.A N HIS 669.A ND1 no hydrogen 3.103 N/A ASP 673.A N SER 579.A O no hydrogen 2.799 N/A GLN 674.A N GLY 671.A O no hydrogen 2.923 N/A ASN 675.A ND2 THR 610.A O no hydrogen 3.082 N/A ASN 675.A ND2 SER 612.A OG no hydrogen 3.318 N/A TRP 677.A N PHE 578.A O no hydrogen 3.088 N/A ALA 678.A N MET 604.A O no hydrogen 2.895 N/A ILE 679.A N LEU 576.A O no hydrogen 3.242 N/A ASP 680.A N TYR 602.A O no hydrogen 3.037 N/A ASN 681.A N ASP 680.A OD2 no hydrogen 2.809 N/A VAL 682.A N ASP 544.A O no hydrogen 2.905 N/A LEU 683.A N GLN 600.A O no hydrogen 2.731 N/A ILE 684.A N LEU 542.A O no hydrogen 2.658 N/A SER 685.A N PHE 598.A O no hydrogen 3.406 N/A