Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k5t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ SER 284.A OG no hydrogen 3.110 N/A VAL 6.A N LYS 3.A O no hydrogen 3.406 N/A PHE 7.A N ALA 4.A O no hydrogen 2.891 N/A SER 8.A N GLY 5.A O no hydrogen 3.293 N/A SER 8.A OG GLY 5.A O no hydrogen 2.699 N/A SER 11.A N GLU 14.A OE1 no hydrogen 2.945 N/A SER 11.A OG GLU 14.A OE1 no hydrogen 3.381 N/A ASN 12.A ND2 VAL 711.A O no hydrogen 2.755 N/A GLU 14.A N SER 11.A OG no hydrogen 2.716 N/A LEU 15.A N SER 11.A O no hydrogen 2.866 N/A LYS 16.A N ASN 12.A O no hydrogen 2.877 N/A LYS 16.A NZ VAL 711.A O no hydrogen 2.886 N/A ALA 17.A N GLN 13.A O no hydrogen 2.852 N/A VAL 18.A N GLU 14.A O no hydrogen 3.052 N/A HIS 19.A N LEU 15.A O no hydrogen 3.013 N/A SER 20.A N LYS 16.A O no hydrogen 2.875 N/A SER 20.A OG LYS 16.A O no hydrogen 2.680 N/A PHE 21.A N ALA 17.A O no hydrogen 2.886 N/A LEU 22.A N VAL 18.A O no hydrogen 3.017 N/A TRP 23.A N HIS 19.A O no hydrogen 2.787 N/A SER 24.A N SER 20.A O no hydrogen 2.770 N/A SER 24.A N PHE 21.A O no hydrogen 3.127 N/A SER 24.A OG PHE 21.A O no hydrogen 2.678 N/A LYS 25.A N LEU 22.A O no hydrogen 3.367 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.870 N/A LEU 28.A N LYS 25.A O no hydrogen 3.134 N/A ARG 29.A N LYS 26.A O no hydrogen 2.862 N/A GLN 31.A N ASN 41.A O no hydrogen 2.828 N/A SER 33.A OG ASP 368.A OD1 no hydrogen 3.035 N/A SER 34.A N ASP 368.A OD1 no hydrogen 3.138 N/A SER 34.A OG ASP 368.A OD1 no hydrogen 3.298 N/A SER 34.A OG ASP 368.A OD2 no hydrogen 2.422 N/A THR 35.A N PRO 32.A O no hydrogen 3.128 N/A THR 35.A OG1 GLN 31.A OE1 no hydrogen 3.543 N/A THR 35.A OG1 PRO 32.A O no hydrogen 3.069 N/A ALA 39.A N THR 37.A OG1 no hydrogen 2.961 N/A LYS 40.A N MET 38.A O no hydrogen 2.669 N/A ASN 41.A ND2 LEU 28.A O no hydrogen 2.914 N/A THR 42.A N PHE 76.A O no hydrogen 2.888 N/A THR 42.A OG1 GLN 31.A O no hydrogen 3.262 N/A PHE 44.A N VAL 74.A O no hydrogen 2.823 N/A LEU 45.A N VAL 74.A O no hydrogen 3.411 N/A ILE 46.A N TYR 364.A O no hydrogen 3.043 N/A GLU 47.A N ARG 72.A O no hydrogen 3.139 N/A LEU 49.A N GLU 70.A O no hydrogen 2.675 N/A LYS 53.A N GLU 589.A OE2 no hydrogen 3.227 N/A LYS 53.A NZ ASP 479.A OD1 no hydrogen 3.481 N/A LYS 53.A NZ ASP 479.A OD2 no hydrogen 3.148 N/A LYS 53.A NZ ASP 481.A OD1 no hydrogen 3.147 N/A LYS 53.A NZ ASP 481.A OD2 no hydrogen 2.999 N/A LYS 53.A NZ ASP 624.A OD1 no hydrogen 2.695 N/A LYS 53.A NZ ASP 624.A OD2 no hydrogen 2.599 N/A VAL 56.A N LYS 52.A O no hydrogen 2.974 N/A LEU 57.A N LYS 53.A O no hydrogen 2.770 N/A ARG 58.A N TYR 54.A O no hydrogen 3.128 N/A PHE 59.A N HIS 55.A O no hydrogen 3.070 N/A LEU 60.A N VAL 56.A O no hydrogen 3.006 N/A ASP 61.A N LEU 57.A O no hydrogen 2.675 N/A GLU 64.A N ARG 58.A O no hydrogen 2.816 N/A ARG 69.A NE GLU 14.A OE2 no hydrogen 2.837 N/A ARG 69.A NH1 SER 8.A O no hydrogen 2.941 N/A ARG 69.A NH2 SER 8.A O no hydrogen 2.828 N/A ARG 69.A NH2 ASP 9.A O no hydrogen 3.042 N/A ARG 69.A NH2 GLU 14.A OE1 no hydrogen 3.210 N/A ALA 71.A N VAL 90.A O no hydrogen 2.679 N/A ARG 72.A N GLU 47.A O no hydrogen 2.687 N/A ARG 72.A NE GLU 87.A OE1 no hydrogen 3.073 N/A ARG 72.A NH1 GLU 47.A OE2 no hydrogen 2.765 N/A ARG 72.A NH2 GLU 87.A OE2 no hydrogen 2.633 N/A ALA 73.A N PHE 88.A O no hydrogen 2.820 N/A VAL 74.A N LEU 45.A O no hydrogen 2.882 N/A ILE 75.A N THR 86.A O no hydrogen 2.912 N/A PHE 76.A N THR 42.A O no hydrogen 2.832 N/A PHE 77.A N ASN 84.A O no hydrogen 2.708 N/A GLY 78.A N LYS 40.A O no hydrogen 2.972 N/A ASP 79.A N ASN 41.A OD1 no hydrogen 2.760 N/A GLN 80.A NE2 HIS 82.A O no hydrogen 2.772 N/A ASN 84.A N PHE 77.A O no hydrogen 3.342 N/A VAL 85.A N SER 111.A OG no hydrogen 2.918 N/A THR 86.A N ILE 75.A O no hydrogen 3.066 N/A THR 86.A OG1 ASN 84.A OD1 no hydrogen 2.996 N/A ALA 89.A N ARG 100.A O no hydrogen 2.863 N/A VAL 90.A N ALA 71.A O no hydrogen 2.742 N/A GLY 91.A N TYR 98.A O no hydrogen 3.310 N/A LEU 93.A N ARG 69.A O no hydrogen 2.862 N/A CYS 97.A N GLY 91.A O no hydrogen 2.834 N/A TYR 98.A N GLY 91.A O no hydrogen 2.962 N/A TYR 98.A OH GLU 70.A OE2 no hydrogen 2.985 N/A ARG 100.A N ALA 89.A O no hydrogen 2.879 N/A LEU 102.A N GLU 87.A O no hydrogen 2.802 N/A SER 103.A OG LEU 102.A O no hydrogen 2.900 N/A SER 103.A OG SER 103.A O no hydrogen 2.408 N/A ARG 105.A NH1 ASP 605.A O no hydrogen 3.241 N/A ARG 105.A NH2 ASP 605.A O no hydrogen 2.557 N/A TYR 108.A N ARG 105.A O no hydrogen 3.386 N/A TYR 108.A OH ASP 602.A OD2 no hydrogen 2.492 N/A SER 110.A OG SER 168.A OG no hydrogen 3.206 N/A SER 114.A N SER 110.A O no hydrogen 3.252 N/A SER 114.A N SER 111.A O no hydrogen 3.291 N/A SER 114.A OG SER 111.A O no hydrogen 2.622 N/A ARG 115.A NE TRP 112.A O no hydrogen 2.889 N/A THR 119.A N ASP 366.A OD2 no hydrogen 2.802 N/A THR 119.A OG1 ASP 366.A OD2 no hydrogen 3.409 N/A GLU 121.A N SER 118.A OG no hydrogen 3.115 N/A TYR 122.A N SER 118.A O no hydrogen 3.033 N/A TYR 122.A OH ASP 160.A OD1 no hydrogen 2.899 N/A TYR 122.A OH ASP 160.A OD2 no hydrogen 2.730 N/A ALA 123.A N THR 119.A O no hydrogen 2.947 N/A LEU 124.A N ALA 120.A O no hydrogen 2.931 N/A LEU 125.A N GLU 121.A O no hydrogen 2.789 N/A TYR 126.A N.A TYR 122.A O no hydrogen 2.854 N/A TYR 126.A N.B TYR 122.A O no hydrogen 2.865 N/A HIS 127.A N ALA 123.A O no hydrogen 3.040 N/A THR 128.A N LEU 124.A O no hydrogen 2.969 N/A LEU 129.A N LEU 125.A O no hydrogen 2.996 N/A GLN 130.A N TYR 126.A O.A no hydrogen 3.199 N/A GLN 130.A N TYR 126.A O.B no hydrogen 3.149 N/A GLN 130.A NE2 PHE 148.A O no hydrogen 2.755 N/A GLU 131.A N HIS 127.A O no hydrogen 3.044 N/A ALA 132.A N THR 128.A O no hydrogen 2.835 N/A THR 133.A N LEU 129.A O no hydrogen 3.231 N/A THR 133.A OG1 LEU 129.A O no hydrogen 2.725 N/A LYS 134.A N GLU 131.A O no hydrogen 2.972 N/A LEU 136.A N THR 133.A O no hydrogen 2.599 N/A HIS 137.A N LYS 134.A O no hydrogen 3.215 N/A PHE 140.A N LEU 136.A O no hydrogen 2.729 N/A LEU 141.A N HIS 137.A O no hydrogen 3.046 N/A ASN 142.A N GLN 138.A O no hydrogen 2.850 N/A ASN 142.A ND2 TYR 227.A OH no hydrogen 3.121 N/A THR 143.A N PHE 139.A O no hydrogen 2.823 N/A THR 143.A OG1 PHE 139.A O no hydrogen 2.562 N/A THR 143.A OG1 PHE 140.A O no hydrogen 3.384 N/A THR 144.A N PHE 140.A O no hydrogen 2.616 N/A THR 144.A OG1 PHE 140.A O no hydrogen 2.532 N/A GLY 145.A N PHE 140.A O no hydrogen 3.224 N/A GLY 145.A N LEU 141.A O no hydrogen 2.926 N/A PHE 146.A N THR 144.A OG1 no hydrogen 2.928 N/A SER 147.A N ARG 154.A O no hydrogen 3.070 N/A SER 147.A OG GLN 149.A O no hydrogen 3.233 N/A CYS 151.A N GLN 149.A O no hydrogen 2.729 N/A HIS 152.A N ASP 150.A O no hydrogen 2.359 N/A ARG 154.A N CYS 151.A O no hydrogen 2.665 N/A CYS 155.A SG HIS 152.A O no hydrogen 3.773 N/A LEU 156.A N SER 147.A O no hydrogen 2.837 N/A ALA 157.A N GLN 178.A O no hydrogen 2.443 N/A PHE 158.A N TYR 126.A OH.A no hydrogen 3.527 N/A THR 159.A N ILE 176.A O no hydrogen 3.035 N/A THR 159.A OG1 GLN 178.A OE1 no hydrogen 2.589 N/A THR 159.A OG1 TYR 420.A OH no hydrogen 3.155 N/A VAL 161.A N TRP 174.A O no hydrogen 3.018 N/A ARG 164.A NE ASN 601.A OD1 no hydrogen 3.016 N/A ARG 164.A NH1 ASP 160.A OD2 no hydrogen 2.943 N/A ARG 164.A NH1 SER 173.A OG no hydrogen 2.722 N/A ARG 164.A NH2 ASP 160.A OD2 no hydrogen 2.919 N/A VAL 166.A N GLN 170.A OE1 no hydrogen 2.657 N/A ALA 167.A N GLN 170.A OE1 no hydrogen 3.401 N/A SER 168.A OG SER 110.A OG no hydrogen 3.206 N/A SER 168.A OG ASP 602.A OD1 no hydrogen 3.068 N/A SER 168.A OG ASP 602.A OD2 no hydrogen 2.615 N/A GLN 170.A N ALA 167.A O no hydrogen 3.222 N/A ARG 171.A NE GLU 121.A OE2 no hydrogen 2.735 N/A ARG 171.A NH1 ARG 115.A O no hydrogen 3.089 N/A ARG 171.A NH2 ARG 115.A O no hydrogen 3.349 N/A ARG 171.A NH2 PRO 116.A O no hydrogen 3.351 N/A ARG 171.A NH2 GLU 121.A OE1 no hydrogen 2.811 N/A ARG 171.A NH2 GLU 121.A OE2 no hydrogen 3.418 N/A ARG 172.A N ARG 164.A O no hydrogen 3.009 N/A ARG 172.A NE GLU 208.A OE1 no hydrogen 2.763 N/A ARG 172.A NE GLU 208.A OE2 no hydrogen 3.354 N/A ARG 172.A NH1 GLN 170.A OE1 no hydrogen 3.081 N/A ARG 172.A NH2 GLU 208.A OE2 no hydrogen 3.128 N/A SER 173.A N VAL 195.A O no hydrogen 2.864 N/A SER 173.A OG HIS 197.A NE2 no hydrogen 2.530 N/A LEU 175.A N LEU 193.A O no hydrogen 2.811 N/A ILE 176.A N THR 159.A O no hydrogen 2.952 N/A ILE 177.A N LEU 191.A O no hydrogen 3.066 N/A GLN 178.A N ALA 157.A O no hydrogen 2.603 N/A GLN 178.A NE2 PHE 185.A O no hydrogen 3.404 N/A ARG 179.A N HIS 187.A O no hydrogen 2.929 N/A ARG 179.A NE THR 144.A O no hydrogen 3.186 N/A ARG 179.A NH1 GLU 238.A O no hydrogen 2.884 N/A ARG 179.A NH2 THR 144.A O no hydrogen 2.622 N/A ARG 179.A NH2 GLU 238.A O no hydrogen 2.556 N/A TYR 180.A N CYS 155.A O no hydrogen 2.845 N/A VAL 181.A N ARG 179.A O no hydrogen 2.812 N/A LEU 186.A N GLY 183.A O no hydrogen 3.070 N/A HIS 187.A N TYR 184.A O no hydrogen 2.982 N/A HIS 187.A NE2 SER 244.A OG no hydrogen 2.788 N/A THR 189.A N ILE 177.A O no hydrogen 2.793 N/A THR 189.A OG1 ILE 177.A O no hydrogen 3.028 N/A LEU 191.A N THR 189.A OG1 no hydrogen 3.187 N/A GLU 192.A N TRP 211.A O no hydrogen 2.754 N/A LEU 193.A N LEU 175.A O no hydrogen 3.074 N/A LEU 194.A N GLN 209.A O no hydrogen 3.046 N/A VAL 195.A N SER 173.A O no hydrogen 2.883 N/A ASP 196.A N ALA 206.A O no hydrogen 3.151 N/A HIS 197.A N ARG 171.A O no hydrogen 2.934 N/A HIS 197.A ND1 GLU 121.A OE2 no hydrogen 2.970 N/A HIS 197.A NE2 SER 173.A OG no hydrogen 2.530 N/A GLY 198.A N ASP 196.A OD1 no hydrogen 3.025 N/A SER 199.A OG ASP 201.A O no hydrogen 3.293 N/A SER 199.A OG HIS 204.A ND1 no hydrogen 3.272 N/A ASP 201.A N SER 199.A OG no hydrogen 3.036 N/A GLY 203.A N ASP 201.A OD1 no hydrogen 2.605 N/A HIS 204.A N ASP 201.A O no hydrogen 3.025 N/A TRP 205.A N ALA 202.A O no hydrogen 3.209 N/A TRP 205.A NE1 SER 199.A O no hydrogen 2.574 N/A ALA 206.A N ASP 196.A O no hydrogen 3.440 N/A GLU 208.A N LEU 194.A O no hydrogen 2.845 N/A VAL 210.A N GLN 209.A OE1 no hydrogen 3.373 N/A TRP 211.A N GLU 192.A O no hydrogen 2.778 N/A TYR 212.A N LYS 215.A O no hydrogen 2.810 N/A ASN 213.A N GLY 190.A O no hydrogen 3.153 N/A ASN 213.A ND2 ASP 233.A O no hydrogen 3.307 N/A LYS 215.A N TYR 212.A O no hydrogen 2.748 N/A TYR 217.A N VAL 210.A O no hydrogen 3.031 N/A GLY 218.A N GLN 209.A OE1 no hydrogen 3.088 N/A SER 219.A N TYR 217.A O no hydrogen 2.767 N/A LEU 223.A N SER 219.A O no hydrogen 3.284 N/A ALA 224.A N PRO 220.A O no hydrogen 2.795 N/A ARG 225.A N GLU 221.A O no hydrogen 2.719 N/A LYS 226.A N GLU 222.A O no hydrogen 2.917 N/A TYR 227.A N LEU 223.A O no hydrogen 2.768 N/A ALA 228.A N ALA 224.A O no hydrogen 2.812 N/A ASP 229.A N ARG 225.A O no hydrogen 2.866 N/A GLY 230.A N TYR 227.A O no hydrogen 2.747 N/A GLU 231.A N LYS 226.A O no hydrogen 2.648 N/A VAL 235.A N TYR 212.A OH no hydrogen 3.240 N/A LEU 237.A N THR 143.A O no hydrogen 2.909 N/A SER 244.A OG GLU 182.A O no hydrogen 2.458 N/A SER 244.A OG HIS 187.A NE2 no hydrogen 2.788 N/A SER 245.A N LEU 242.A O no hydrogen 2.979 N/A SER 245.A OG.A GLU 182.A OE2 no hydrogen 2.547 N/A SER 245.A OG.B LEU 242.A O no hydrogen 2.515 N/A LYS 247.A N SER 245.A OG.A no hydrogen 3.052 N/A LYS 247.A NZ GLU 182.A OE1 no hydrogen 3.237 N/A ARG 249.A NH1 SER 245.A O no hydrogen 3.053 N/A ARG 249.A NH1 LYS 247.A O no hydrogen 3.054 N/A ARG 249.A NH2 PHE 243.A O no hydrogen 3.003 N/A ARG 262.A NH2 SER 697.A O no hydrogen 3.458 N/A GLY 268.A N GLN 265.A O no hydrogen 3.136 N/A ARG 270.A NE GLU 381.A OE1 no hydrogen 3.019 N/A ARG 270.A NH1 ASP 672.A OD1 no hydrogen 2.990 N/A ARG 270.A NH1 ASP 672.A OD2 no hydrogen 3.060 N/A ARG 270.A NH2 GLU 381.A OE2 no hydrogen 2.777 N/A ARG 270.A NH2 ASP 672.A OD2 no hydrogen 3.297 N/A ARG 272.A N LEU 279.A O no hydrogen 2.970 N/A GLU 274.A N ALA 277.A O no hydrogen 2.757 N/A ASN 276.A ND2 ALA 4.A O no hydrogen 3.292 N/A ASN 276.A ND2 PHE 287.A O no hydrogen 2.968 N/A ALA 277.A N GLU 274.A O no hydrogen 2.967 N/A VAL 278.A N PHE 285.A O no hydrogen 2.984 N/A LEU 279.A N ARG 272.A O no hydrogen 2.979 N/A TYR 280.A N TRP 283.A O no hydrogen 3.025 N/A TYR 280.A OH GLU 381.A OE2 no hydrogen 2.658 N/A TRP 283.A N TYR 280.A O no hydrogen 2.867 N/A TRP 283.A NE1 TYR 430.A O no hydrogen 2.639 N/A SER 284.A N HIS 301.A O no hydrogen 3.059 N/A PHE 285.A N VAL 278.A O no hydrogen 3.159 N/A ALA 286.A N LEU 298.A O no hydrogen 2.735 N/A PHE 287.A N ASN 276.A O no hydrogen 3.123 N/A ARG 288.A N GLN 296.A O no hydrogen 3.343 N/A ARG 288.A NE ASP 9.A OD1 no hydrogen 2.930 N/A ARG 288.A NH1 ASP 9.A OD1 no hydrogen 3.022 N/A ARG 288.A NH1 MET 48.A O no hydrogen 2.961 N/A ARG 288.A NH2 MET 48.A O no hydrogen 3.167 N/A LEU 289.A N ASP 9.A OD2 no hydrogen 2.535 N/A ARG 290.A N GLY 294.A O no hydrogen 3.019 N/A ARG 290.A NH1 SER 293.A OG no hydrogen 2.702 N/A SER 291.A OG HIS 363.A ND1 no hydrogen 3.124 N/A SER 292.A N GLU 47.A OE1 no hydrogen 3.088 N/A SER 292.A OG GLU 47.A OE1 no hydrogen 2.990 N/A SER 292.A OG GLU 47.A OE2 no hydrogen 2.941 N/A GLY 294.A N ARG 290.A O no hydrogen 2.946 N/A GLN 296.A N ARG 288.A O no hydrogen 2.995 N/A VAL 297.A N VAL 311.A O no hydrogen 2.826 N/A LEU 298.A N ALA 286.A O no hydrogen 2.909 N/A ASN 299.A N TYR 309.A O no hydrogen 2.854 N/A VAL 300.A N ALA 308.A O no hydrogen 2.755 N/A HIS 301.A N SER 284.A O no hydrogen 2.679 N/A HIS 301.A ND1 GLY 304.A O no hydrogen 3.096 N/A HIS 301.A NE2 ASN 299.A OD1 no hydrogen 2.579 N/A PHE 302.A N GLU 305.A O no hydrogen 3.078 N/A GLY 303.A N GLY 282.A O no hydrogen 2.782 N/A ARG 306.A NE ASN 299.A OD1 no hydrogen 3.147 N/A ARG 306.A NH1 ASP 61.A OD2 no hydrogen 2.896 N/A ARG 306.A NH2 ASP 61.A OD1 no hydrogen 3.273 N/A ARG 306.A NH2 ASP 61.A OD2 no hydrogen 3.171 N/A ARG 306.A NH2 ASN 299.A OD1 no hydrogen 3.282 N/A ILE 307.A N VAL 300.A O no hydrogen 2.843 N/A ALA 308.A N VAL 300.A O no hydrogen 3.291 N/A TYR 309.A N ASP 479.A O no hydrogen 2.977 N/A VAL 311.A N VAL 297.A O no hydrogen 2.769 N/A SER 312.A N ARG 477.A O no hydrogen 3.039 N/A SER 312.A OG GLU 310.A OE2 no hydrogen 2.680 N/A VAL 313.A N LEU 295.A O no hydrogen 3.240 N/A GLN 314.A N HIS 475.A O no hydrogen 2.727 N/A GLN 314.A NE2 SER 312.A OG no hydrogen 2.762 N/A GLU 315.A N HIS 475.A O no hydrogen 3.383 N/A ALA 316.A N GLU 315.A OE2 no hydrogen 2.935 N/A VAL 317.A N LEU 473.A O no hydrogen 2.804 N/A ALA 318.A N TYR 332.A O no hydrogen 2.685 N/A LEU 319.A N THR 471.A O no hydrogen 3.165 N/A TYR 320.A N THR 330.A O no hydrogen 2.762 N/A GLY 321.A N ILE 469.A O no hydrogen 3.116 N/A THR 324.A OG1 GLU 192.A OE1 no hydrogen 3.043 N/A THR 324.A OG1 GLU 192.A OE2 no hydrogen 2.741 N/A ALA 326.A N GLU 192.A OE1 no hydrogen 3.063 N/A GLY 327.A N THR 324.A OG1 no hydrogen 3.078 N/A MET 328.A N THR 324.A O no hydrogen 3.001 N/A GLN 329.A N ALA 326.A O no hydrogen 3.065 N/A GLN 329.A NE2 PRO 163.A O no hydrogen 3.066 N/A GLN 329.A NE2 GLY 165.A O no hydrogen 2.951 N/A THR 330.A OG1 ALA 326.A O no hydrogen 2.865 N/A THR 330.A OG1 HIS 446.A NE2 no hydrogen 3.161 N/A LYS 331.A N ALA 162.A O no hydrogen 2.738 N/A TYR 332.A N ALA 318.A O no hydrogen 2.752 N/A TYR 332.A OH ASP 160.A O no hydrogen 2.738 N/A LEU 333.A N GLN 600.A OE1 no hydrogen 2.901 N/A ASP 334.A N ALA 316.A O no hydrogen 2.898 N/A VAL 335.A N GLU 315.A OE2 no hydrogen 2.967 N/A GLY 336.A N LEU 333.A O no hydrogen 3.189 N/A TRP 337.A N ASP 334.A O no hydrogen 2.872 N/A TRP 337.A NE1 GLN 600.A OE1 no hydrogen 2.797 N/A GLY 338.A N VAL 335.A O no hydrogen 3.516 N/A SER 341.A N GLY 338.A O no hydrogen 2.864 N/A SER 341.A OG.A GLY 338.A O no hydrogen 2.745 N/A SER 341.A OG.B SER 291.A O no hydrogen 3.138 N/A THR 343.A OG1 HIS 363.A NE2 no hydrogen 2.787 N/A LEU 346.A N ARG 375.A O no hydrogen 3.010 N/A ALA 347.A N ASP 351.A OD2 no hydrogen 2.851 N/A GLY 349.A N CYS 352.A O no hydrogen 2.738 N/A ILE 350.A N ALA 347.A O no hydrogen 2.916 N/A ASP 351.A N ALA 347.A O no hydrogen 2.884 N/A GLU 354.A N GLU 354.A OE1 no hydrogen 2.568 N/A ALA 356.A N PRO 353.A O no hydrogen 2.860 N/A THR 357.A N LEU 379.A O no hydrogen 2.847 N/A LEU 359.A N LEU 377.A O no hydrogen 2.759 N/A THR 361.A N TYR 373.A O no hydrogen 3.088 N/A HIS 363.A N VAL 371.A O no hydrogen 3.149 N/A HIS 363.A ND1 SER 291.A OG no hydrogen 3.124 N/A HIS 363.A NE2 THR 343.A OG1 no hydrogen 2.787 N/A TYR 364.A OH HIS 19.A NE2 no hydrogen 2.947 N/A TYR 364.A OH VAL 43.A O no hydrogen 3.144 N/A ASP 366.A N PHE 44.A O no hydrogen 2.625 N/A VAL 371.A N HIS 363.A O no hydrogen 3.107 N/A HIS 372.A N ARG 709.A O no hydrogen 2.669 N/A HIS 372.A NE2 ASP 360.A OD2 no hydrogen 3.009 N/A TYR 373.A N THR 361.A O no hydrogen 2.756 N/A ARG 375.A N ASP 360.A OD1 no hydrogen 2.769 N/A ARG 375.A NH1 SER 703.A O no hydrogen 2.934 N/A ARG 375.A NH2 SER 703.A OG no hydrogen 2.992 N/A LEU 377.A N LEU 359.A O no hydrogen 3.057 N/A CYS 378.A N ARG 414.A O no hydrogen 2.887 N/A LEU 379.A N THR 357.A O no hydrogen 2.884 N/A PHE 380.A N VAL 412.A O no hydrogen 3.106 N/A MET 382.A N VAL 410.A O no hydrogen 2.923 N/A THR 384.A N GLY 408.A O no hydrogen 3.103 N/A THR 384.A OG1 VAL 386.A O no hydrogen 2.727 N/A VAL 386.A N THR 384.A OG1 no hydrogen 3.133 N/A LEU 388.A N LEU 406.A O no hydrogen 2.812 N/A ARG 389.A NE ASP 665.A OD2 no hydrogen 2.893 N/A ARG 389.A NE SER 667.A OG no hydrogen 3.118 N/A ARG 389.A NH2 SER 667.A OG no hydrogen 2.790 N/A HIS 391.A N ALA 404.A O no hydrogen 2.962 N/A ASN 393.A N PHE 402.A O no hydrogen 3.002 N/A ASN 393.A ND2 HIS 391.A NE2 no hydrogen 3.186 N/A SER 394.A OG GLY 399.A O no hydrogen 3.445 N/A ASN 395.A N GLY 399.A O no hydrogen 3.419 N/A PHE 396.A N SER 394.A OG no hydrogen 2.727 N/A LYS 397.A N ASN 395.A OD1 no hydrogen 2.985 N/A GLY 399.A N ASN 395.A OD1 no hydrogen 3.005 N/A ASN 401.A N ASN 393.A O no hydrogen 2.807 N/A ASN 401.A ND2 ASN 393.A OD1 no hydrogen 2.682 N/A PHE 402.A N ASN 393.A O no hydrogen 3.446 N/A TYR 403.A N VAL 676.A O no hydrogen 3.157 N/A ALA 404.A N HIS 391.A O no hydrogen 3.040 N/A GLY 405.A N VAL 674.A O no hydrogen 3.042 N/A LEU 406.A N ARG 389.A O no hydrogen 3.050 N/A VAL 410.A N MET 382.A O no hydrogen 2.966 N/A LEU 411.A N PHE 429.A O no hydrogen 3.077 N/A VAL 412.A N PHE 380.A O no hydrogen 2.806 N/A LEU 413.A N PHE 427.A O no hydrogen 2.664 N/A ARG 414.A N CYS 378.A O no hydrogen 2.929 N/A ARG 414.A NE ASP 426.A OD1 no hydrogen 2.968 N/A ARG 414.A NH1 ASP 351.A O no hydrogen 2.495 N/A ARG 414.A NH2 ASP 426.A OD1 no hydrogen 3.546 N/A ARG 414.A NH2 ASP 426.A OD2 no hydrogen 2.966 N/A THR 415.A N TRP 425.A O no hydrogen 3.190 N/A THR 415.A OG1 ALA 376.A O no hydrogen 2.831 N/A THR 415.A OG1 THR 416.A O no hydrogen 3.532 N/A THR 416.A OG1 HIS 344.A O no hydrogen 3.439 N/A SER 417.A N TYR 423.A O no hydrogen 2.734 N/A THR 418.A N VAL 342.A O no hydrogen 3.112 N/A THR 418.A OG1 ASP 422.A OD2 no hydrogen 2.385 N/A TYR 420.A OH THR 159.A OG1 no hydrogen 3.155 N/A ASN 421.A ND2 TYR 444.A O no hydrogen 2.684 N/A TYR 423.A N SER 417.A O no hydrogen 2.777 N/A TYR 423.A OH HIS 472.A ND1 no hydrogen 3.221 N/A ILE 424.A N HIS 440.A O no hydrogen 2.934 N/A TRP 425.A N THR 415.A O no hydrogen 2.821 N/A TRP 425.A NE1 SER 417.A OG no hydrogen 3.144 N/A ASP 426.A N LYS 438.A O no hydrogen 2.737 N/A PHE 427.A N LEU 413.A O no hydrogen 2.921 N/A ILE 428.A N GLU 436.A O no hydrogen 2.893 N/A PHE 429.A N LEU 411.A O no hydrogen 2.841 N/A TYR 430.A N VAL 434.A O no hydrogen 2.799 N/A TYR 430.A OH GLU 436.A OE1 no hydrogen 2.932 N/A GLY 433.A N TYR 430.A O no hydrogen 3.322 N/A VAL 434.A N ASN 432.A OD1 no hydrogen 3.379 N/A MET 435.A N LEU 656.A O no hydrogen 2.976 N/A GLU 436.A N ILE 428.A O no hydrogen 2.759 N/A ALA 437.A N PHE 654.A O no hydrogen 2.825 N/A LYS 438.A N ASP 426.A O no hydrogen 2.969 N/A MET 439.A N VAL 652.A O no hydrogen 2.863 N/A HIS 440.A N ILE 424.A O no hydrogen 3.008 N/A HIS 440.A NE2 ASP 426.A OD2 no hydrogen 2.998 N/A ALA 441.A N ASN 650.A O no hydrogen 3.004 N/A THR 442.A N ASP 422.A O no hydrogen 2.789 N/A THR 442.A OG1 THR 645.A O no hydrogen 2.631 N/A GLY 443.A N THR 442.A OG1 no hydrogen 2.681 N/A TYR 444.A N ASN 421.A O no hydrogen 2.605 N/A TYR 444.A OH SER 244.A O no hydrogen 2.397 N/A HIS 446.A NE2 THR 330.A OG1 no hydrogen 3.161 N/A THR 448.A N ILE 466.A O no hydrogen 2.941 N/A THR 448.A OG1 ASN 468.A OD1 no hydrogen 2.532 N/A TYR 450.A N HIS 464.A O no hydrogen 2.936 N/A GLY 454.A N THR 451.A O no hydrogen 3.140 N/A LEU 455.A N PRO 452.A O no hydrogen 3.319 N/A ARG 456.A N GLU 453.A O no hydrogen 3.506 N/A HIS 457.A N GLY 454.A O no hydrogen 3.179 N/A THR 459.A N GLY 467.A O no hydrogen 3.121 N/A THR 459.A OG1 PRO 637.A O no hydrogen 2.891 N/A ARG 460.A NE HIS 462.A O no hydrogen 3.546 N/A ARG 460.A NE THR 463.A O no hydrogen 3.008 N/A ARG 460.A NH2 THR 463.A O no hydrogen 2.637 N/A LEU 461.A N LEU 465.A O no hydrogen 2.626 N/A THR 463.A N HIS 462.A ND1 no hydrogen 3.144 N/A LEU 465.A N HIS 462.A O no hydrogen 2.984 N/A ILE 466.A N THR 448.A O no hydrogen 2.719 N/A GLY 467.A N THR 459.A O no hydrogen 2.570 N/A ASN 468.A ND2 GLY 321.A O no hydrogen 3.070 N/A ILE 469.A N HIS 457.A O no hydrogen 2.915 N/A HIS 470.A N HIS 635.A O no hydrogen 3.219 N/A HIS 470.A ND1 ASN 468.A O no hydrogen 2.848 N/A HIS 470.A NE2 HIS 472.A NE2 no hydrogen 3.105 N/A THR 471.A N LEU 319.A O no hydrogen 2.985 N/A HIS 472.A N PHE 633.A O no hydrogen 2.648 N/A LEU 473.A N VAL 317.A O no hydrogen 3.187 N/A VAL 474.A N VAL 631.A O no hydrogen 2.646 N/A HIS 475.A N GLU 315.A O no hydrogen 2.874 N/A HIS 475.A ND1 SER 594.A OG no hydrogen 2.446 N/A TYR 476.A N VAL 629.A O no hydrogen 2.734 N/A ARG 477.A N SER 312.A O no hydrogen 2.902 N/A ARG 477.A NE GLU 310.A OE1 no hydrogen 3.016 N/A VAL 478.A N ALA 627.A O no hydrogen 2.704 N/A ASP 479.A N GLU 310.A O no hydrogen 2.824 N/A LEU 480.A N VAL 478.A O no hydrogen 2.827 N/A ASP 481.A N ILE 307.A O no hydrogen 2.787 N/A VAL 482.A N ASN 487.A OD1 no hydrogen 2.763 N/A ALA 483.A N ARG 306.A O no hydrogen 2.986 N/A GLY 484.A N ASP 481.A O no hydrogen 3.165 N/A ASN 487.A N GLU 623.A O no hydrogen 2.960 N/A ASN 487.A ND2 VAL 482.A O no hydrogen 2.886 N/A ASN 487.A ND2 THR 540.A O no hydrogen 3.097 N/A SER 488.A N THR 540.A O no hydrogen 3.037 N/A GLN 490.A N LEU 538.A O no hydrogen 2.947 N/A THR 491.A N THR 517.A O no hydrogen 3.133 N/A THR 491.A OG1 TYR 519.A OH no hydrogen 2.662 N/A LEU 492.A N TYR 536.A O no hydrogen 3.137 N/A GLN 493.A N GLU 515.A O no hydrogen 2.904 N/A LYS 495.A N THR 513.A O no hydrogen 3.068 N/A GLU 497.A N GLN 511.A O no hydrogen 2.872 N/A ILE 499.A N VAL 509.A O no hydrogen 2.988 N/A ASN 501.A N HIS 507.A O no hydrogen 2.994 N/A TRP 503.A N ASN 501.A OD1 no hydrogen 3.110 N/A SER 504.A N ASN 501.A O no hydrogen 3.009 N/A SER 504.A OG HIS 507.A ND1 no hydrogen 2.764 N/A HIS 507.A N SER 504.A O no hydrogen 2.851 N/A HIS 507.A ND1 SER 504.A OG no hydrogen 2.764 N/A ARG 508.A NE ASN 498.A OD1 no hydrogen 3.125 N/A ARG 508.A NH2 ASN 498.A OD1 no hydrogen 3.234 N/A VAL 509.A N ILE 499.A O no hydrogen 2.728 N/A GLN 511.A N GLU 497.A O no hydrogen 3.206 N/A GLN 511.A NE2 GLU 497.A OE2 no hydrogen 2.755 N/A THR 513.A OG1 LYS 495.A O no hydrogen 2.561 N/A GLU 515.A N GLN 493.A O no hydrogen 2.832 N/A THR 517.A N THR 491.A O no hydrogen 2.921 N/A TYR 519.A OH THR 491.A OG1 no hydrogen 2.662 N/A SER 520.A N GLN 524.A OE1 no hydrogen 2.688 N/A SER 520.A OG GLU 621.A OE2 no hydrogen 2.423 N/A TRP 521.A N GLN 524.A OE1 no hydrogen 2.814 N/A GLU 522.A N GLU 618.A O no hydrogen 2.810 N/A ARG 523.A N ASN 617.A OD1 no hydrogen 2.651 N/A ARG 523.A NH1 TYR 580.A OH no hydrogen 3.213 N/A ARG 523.A NH2 GLU 611.A OE2 no hydrogen 2.835 N/A GLN 524.A N TRP 521.A O no hydrogen 3.007 N/A ALA 525.A N GLU 522.A O no hydrogen 2.726 N/A ALA 526.A N ARG 523.A O no hydrogen 3.425 N/A PHE 527.A N LEU 582.A O no hydrogen 3.020 N/A ARG 531.A NH1 GLN 524.A O no hydrogen 2.963 N/A ARG 531.A NH2 GLN 524.A O no hydrogen 2.864 N/A LEU 538.A N GLN 490.A O no hydrogen 2.872 N/A PHE 539.A N TYR 553.A O no hydrogen 2.888 N/A THR 540.A N SER 488.A O no hydrogen 2.695 N/A THR 540.A OG1 SER 488.A O no hydrogen 3.267 N/A SER 541.A N ARG 551.A O no hydrogen 2.672 N/A ASN 545.A N HIS 549.A O no hydrogen 2.763 N/A TRP 547.A N ASN 545.A OD1 no hydrogen 2.896 N/A TRP 547.A NE1 PRO 663.A O no hydrogen 3.192 N/A GLY 548.A N ASN 545.A O no hydrogen 3.323 N/A HIS 549.A N ASN 545.A OD1 no hydrogen 2.995 N/A ARG 551.A N GLN 543.A O no hydrogen 3.051 N/A ARG 551.A NE PHE 661.A O no hydrogen 2.788 N/A ARG 551.A NH1 GLU 305.A OE1 no hydrogen 3.129 N/A ARG 551.A NH1 GLU 305.A OE2 no hydrogen 3.173 N/A ARG 551.A NH2 GLU 305.A OE1 no hydrogen 2.562 N/A ARG 551.A NH2 PHE 661.A O no hydrogen 2.856 N/A SER 552.A N PHE 659.A O no hydrogen 2.941 N/A SER 552.A OG PHE 659.A O no hydrogen 2.874 N/A TYR 553.A N PHE 539.A O no hydrogen 3.125 N/A TYR 553.A OH GLY 433.A O no hydrogen 2.898 N/A ARG 554.A N ARG 657.A O no hydrogen 2.827 N/A ARG 554.A NH2 LYS 535.A O no hydrogen 2.788 N/A LEU 555.A N LEU 537.A O no hydrogen 2.795 N/A GLN 556.A N LEU 655.A O no hydrogen 2.884 N/A GLN 556.A NE2 HIS 558.A NE2 no hydrogen 3.451 N/A HIS 558.A N GLY 653.A O no hydrogen 2.651 N/A SER 559.A OG GLY 632.A O no hydrogen 3.028 N/A MET 560.A N GLY 632.A O no hydrogen 2.753 N/A ALA 561.A N SER 559.A OG no hydrogen 2.811 N/A GLN 563.A N ASP 562.A OD1 no hydrogen 2.680 N/A GLN 563.A NE2 LEU 565.A O no hydrogen 2.760 N/A GLY 568.A N GLU 572.A OE1 no hydrogen 2.808 N/A TRP 569.A N PRO 566.A O no hydrogen 3.064 N/A GLU 572.A N TRP 569.A O no hydrogen 3.108 N/A GLN 573.A N GLN 570.A O no hydrogen 3.087 N/A ALA 574.A N GLU 571.A O no hydrogen 3.133 N/A ILE 575.A N GLU 572.A O no hydrogen 2.917 N/A ALA 578.A N ILE 575.A O no hydrogen 3.034 N/A ARG 579.A N THR 576.A O no hydrogen 3.425 N/A ARG 579.A NE GLU 572.A OE2 no hydrogen 2.686 N/A ARG 579.A NH1 GLU 611.A OE1 no hydrogen 2.983 N/A ARG 579.A NH2 GLU 572.A OE1 no hydrogen 2.935 N/A ARG 579.A NH2 GLU 572.A OE2 no hydrogen 3.429 N/A TYR 580.A N TRP 577.A O no hydrogen 3.090 N/A TYR 580.A OH GLU 611.A OE1 no hydrogen 2.381 N/A ALA 583.A N TRP 628.A O no hydrogen 2.854 N/A VAL 584.A N ALA 525.A O no hydrogen 3.248 N/A THR 585.A N VAL 626.A O no hydrogen 2.794 N/A LYS 586.A N GLU 522.A OE2 no hydrogen 3.285 N/A TYR 587.A N ASP 624.A O no hydrogen 2.684 N/A TYR 587.A OH GLU 589.A OE2 no hydrogen 2.376 N/A GLU 591.A N ARG 588.A O no hydrogen 3.026 N/A SER 594.A N GLN 314.A OE1 no hydrogen 3.298 N/A SER 594.A OG HIS 475.A ND1 no hydrogen 2.446 N/A SER 595.A OG GLU 315.A OE1 no hydrogen 2.424 N/A SER 596.A OG HIS 599.A ND1 no hydrogen 2.682 N/A TYR 598.A N SER 596.A OG no hydrogen 3.074 N/A TYR 598.A OH GLU 87.A OE2 no hydrogen 2.726 N/A HIS 599.A ND1 SER 596.A OG no hydrogen 2.682 N/A HIS 599.A NE2 VAL 608.A O no hydrogen 2.795 N/A GLN 600.A NE2 LYS 331.A O no hydrogen 2.816 N/A GLN 600.A NE2 GLN 600.A O no hydrogen 2.799 N/A ASN 601.A N TYR 598.A O no hydrogen 3.235 N/A ASN 601.A ND2 ARG 115.A O no hydrogen 2.516 N/A ASP 602.A N TYR 598.A O no hydrogen 3.109 N/A TRP 604.A NE1 GLU 571.A OE2 no hydrogen 3.222 N/A ASP 605.A N ASP 602.A OD1 no hydrogen 3.373 N/A GLU 611.A N THR 576.A OG1 no hydrogen 2.909 N/A GLN 612.A N VAL 609.A O no hydrogen 2.911 N/A PHE 613.A N PHE 610.A O no hydrogen 3.064 N/A LEU 614.A N GLU 611.A O no hydrogen 3.045 N/A HIS 615.A N GLN 612.A O no hydrogen 2.909 N/A ASN 617.A N LEU 614.A O no hydrogen 2.850 N/A GLU 618.A N GLU 522.A OE1 no hydrogen 2.829 N/A ASN 619.A ND2 SER 520.A O no hydrogen 2.913 N/A ILE 620.A N SER 520.A O no hydrogen 2.682 N/A ASN 622.A N SER 488.A OG no hydrogen 2.695 N/A GLU 623.A N ASN 487.A O no hydrogen 2.880 N/A VAL 626.A N THR 585.A O no hydrogen 2.696 N/A ALA 627.A N VAL 478.A O no hydrogen 2.979 N/A TRP 628.A N ALA 583.A O no hydrogen 2.686 N/A TRP 628.A NE1 THR 585.A OG1 no hydrogen 2.820 N/A VAL 629.A N TYR 476.A O no hydrogen 3.050 N/A THR 630.A N PRO 581.A O no hydrogen 3.244 N/A THR 630.A OG1 TRP 577.A O no hydrogen 2.952 N/A THR 630.A OG1 TYR 580.A O no hydrogen 2.991 N/A VAL 631.A N VAL 474.A O no hydrogen 3.005 N/A GLY 632.A N SER 559.A OG no hydrogen 2.753 N/A PHE 633.A N HIS 472.A O no hydrogen 2.659 N/A HIS 635.A N HIS 470.A O no hydrogen 2.639 N/A HIS 635.A NE2 ASP 641.A OD2 no hydrogen 3.255 N/A HIS 638.A N ASP 641.A OD2 no hydrogen 2.821 N/A HIS 638.A ND1 GLU 640.A OE1 no hydrogen 3.088 N/A SER 639.A OG GLU 640.A OE1 no hydrogen 3.341 N/A GLU 640.A N GLU 640.A OE1 no hydrogen 2.649 N/A ASP 641.A N HIS 638.A O no hydrogen 2.827 N/A ILE 642.A N SER 639.A O no hydrogen 3.112 N/A ASN 644.A ND2 PRO 643.A O no hydrogen 2.660 N/A THR 645.A N GLY 443.A O no hydrogen 2.869 N/A ASN 650.A N THR 647.A O no hydrogen 2.667 N/A ASN 650.A ND2 ALA 646.A O no hydrogen 2.385 N/A VAL 652.A N MET 439.A O no hydrogen 3.080 N/A GLY 653.A N HIS 558.A O no hydrogen 2.914 N/A PHE 654.A N ALA 437.A O no hydrogen 2.981 N/A LEU 655.A N GLN 556.A O no hydrogen 2.826 N/A LEU 656.A N MET 435.A O no hydrogen 2.716 N/A ARG 657.A N ARG 554.A O no hydrogen 2.940 N/A ARG 657.A NH1 GLN 556.A OE1 no hydrogen 2.823 N/A PHE 659.A N SER 552.A O no hydrogen 2.624 N/A SER 667.A N ASP 665.A OD1 no hydrogen 2.891 N/A SER 667.A OG ASP 665.A OD1 no hydrogen 3.125 N/A SER 667.A OG ASP 665.A OD2 no hydrogen 3.128 N/A LEU 668.A N ASP 665.A O no hydrogen 3.090 N/A SER 670.A N SER 667.A O no hydrogen 2.990 N/A SER 670.A OG ASP 672.A OD2 no hydrogen 3.354 N/A ASP 672.A N SER 670.A OG no hydrogen 3.228 N/A THR 673.A OG1 SER 670.A O no hydrogen 3.543 N/A VAL 674.A N GLY 405.A O no hydrogen 3.106 N/A ILE 675.A N GLN 687.A O no hydrogen 3.076 N/A VAL 676.A N TYR 403.A O no hydrogen 2.855 N/A TRP 677.A N TYR 685.A O no hydrogen 3.085 N/A TRP 677.A NE1 GLN 687.A OE1 no hydrogen 2.469 N/A ARG 679.A N ASN 684.A OD1 no hydrogen 3.175 N/A ARG 679.A NH1 PRO 678.A O no hydrogen 2.646 N/A TYR 685.A N TRP 677.A O no hydrogen 3.144 N/A GLN 687.A N ILE 675.A O no hydrogen 2.728 N/A ASP 695.A N ASP 693.A OD2 no hydrogen 2.748 N/A TYR 704.A OH GLU 345.A O no hydrogen 2.697 N/A ASN 705.A N GLU 345.A OE2 no hydrogen 2.848 N/A GLY 706.A N GLU 345.A OE1 no hydrogen 2.615 N/A THR 707.A N ASN 705.A OD1 no hydrogen 3.018 N/A THR 707.A OG1 ASN 705.A OD1 no hydrogen 2.331 N/A