Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gwm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N GLY 520.A O no hydrogen 2.634 N/A VAL 5.A N GLY 522.A O no hydrogen 2.807 N/A ASP 6.A N ASP 4.A OD2 no hydrogen 2.972 N/A GLY 7.A N ASP 4.A O no hydrogen 3.125 N/A GLY 8.A N ASP 4.A OD1 no hydrogen 2.830 N/A MET 9.A N ASP 6.A O no hydrogen 3.026 N/A ASP 12.A N ASP 15.A OD1 no hydrogen 2.779 N/A ASP 15.A N ASP 12.A O no hydrogen 2.947 N/A ILE 16.A N ASP 12.A O no hydrogen 2.992 N/A ASN 17.A N ILE 13.A O no hydrogen 2.999 N/A ASN 17.A ND2 GLY 27.A O no hydrogen 2.754 N/A ASN 17.A ND2 CYS 100.A O no hydrogen 2.773 N/A GLU 18.A N PHE 14.A O no hydrogen 3.213 N/A GLY 19.A N ASP 15.A O no hydrogen 3.121 N/A LEU 20.A N ASN 17.A O no hydrogen 3.092 N/A GLY 21.A N GLU 18.A O no hydrogen 3.085 N/A LEU 22.A N ASN 17.A O no hydrogen 3.504 N/A PHE 25.A N ILE 29.A O no hydrogen 3.034 N/A GLY 27.A N LEU 24.A O no hydrogen 3.159 N/A ILE 29.A N PHE 25.A O no hydrogen 2.921 N/A ARG 30.A N SER 102.A O no hydrogen 2.888 N/A ARG 30.A NH2 GLU 113.A OE1 no hydrogen 3.120 N/A ASP 32.A N GLN 35.A OE1 no hydrogen 2.957 N/A ARG 33.A N ASP 32.A OD2 no hydrogen 2.859 N/A GLN 35.A N ASP 32.A O no hydrogen 3.125 N/A GLN 35.A NE2 VAL 104.A O no hydrogen 3.369 N/A ASN 38.A ND2 GLU 26.A OE1 no hydrogen 3.369 N/A SER 39.A OG ILE 36.A O no hydrogen 2.513 N/A TYR 45.A N GLY 42.A O no hydrogen 2.911 N/A ARG 46.A NH2 LEU 134.A O no hydrogen 2.947 N/A TRP 47.A NE1 ALA 133.A O no hydrogen 2.950 N/A HIS 49.A NE2 TYR 223.A O no hydrogen 2.831 N/A ILE 51.A N ASP 81.A O no hydrogen 2.843 N/A TYR 53.A N LYS 83.A O no hydrogen 2.945 N/A VAL 54.A N ILE 92.A O no hydrogen 2.960 N/A LEU 55.A N GLN 559.A OE1 no hydrogen 2.955 N/A GLU 56.A N VAL 94.A O no hydrogen 2.882 N/A LEU 59.A N GLU 56.A O no hydrogen 3.096 N/A ASN 62.A ND2 ASP 121.A OD1 no hydrogen 2.704 N/A ASN 62.A ND2 SER 481.A O no hydrogen 3.012 N/A LYS 64.A N GLU 60.A O no hydrogen 3.114 N/A LYS 64.A NZ LEU 555.A O no hydrogen 2.787 N/A GLY 65.A N MET 61.A O no hydrogen 3.264 N/A VAL 66.A N ASN 62.A O no hydrogen 2.973 N/A ILE 67.A N ALA 63.A O no hydrogen 2.895 N/A LEU 68.A N LYS 64.A O no hydrogen 3.160 N/A ASN 69.A N GLY 65.A O no hydrogen 3.004 N/A ALA 70.A N VAL 66.A O no hydrogen 2.877 N/A PHE 71.A N ILE 67.A O no hydrogen 3.014 N/A GLU 72.A N LEU 68.A O no hydrogen 3.238 N/A ARG 73.A N ASN 69.A O no hydrogen 3.267 N/A ARG 73.A NH1 GLN 127.A OE1 no hydrogen 2.899 N/A ARG 73.A NH1 MET 209.A O no hydrogen 2.718 N/A ARG 73.A NH2 SER 477.A O no hydrogen 3.064 N/A TYR 74.A N ALA 70.A O no hydrogen 3.180 N/A TYR 74.A OH GLN 127.A O no hydrogen 2.928 N/A ARG 75.A N PHE 71.A O no hydrogen 2.893 N/A ARG 75.A NE ASP 81.A OD2 no hydrogen 2.712 N/A ARG 75.A NH1 ASP 81.A OD2 no hydrogen 3.479 N/A ARG 75.A NH1 PHE 82.A O no hydrogen 2.913 N/A ARG 75.A NH2 GLU 72.A OE2 no hydrogen 2.849 N/A LEU 76.A N GLU 72.A O no hydrogen 3.016 N/A LEU 76.A N ARG 73.A O no hydrogen 3.260 N/A LYS 77.A N ARG 73.A O no hydrogen 3.068 N/A LYS 77.A NZ ASP 210.A OD2 no hydrogen 2.981 N/A LYS 77.A NZ ARG 475.A O no hydrogen 2.710 N/A THR 78.A N TYR 74.A O no hydrogen 2.933 N/A THR 78.A OG1 TYR 74.A O no hydrogen 2.701 N/A CYS 79.A SG TYR 223.A O no hydrogen 3.532 N/A ILE 80.A N THR 78.A OG1 no hydrogen 2.985 N/A ASP 81.A N HIS 49.A O no hydrogen 3.006 N/A PHE 82.A N ASP 81.A OD2 no hydrogen 2.773 N/A LYS 83.A N ILE 51.A O no hydrogen 2.911 N/A LYS 83.A NZ PRO 84.A O no hydrogen 2.841 N/A LYS 83.A NZ GLU 88.A OE1 no hydrogen 2.756 N/A TRP 85.A N TYR 53.A O no hydrogen 2.835 N/A TRP 85.A NE1 GLU 88.A O no hydrogen 2.874 N/A ALA 86.A N GLU 88.A OE2 no hydrogen 2.830 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.840 N/A TYR 91.A N GLY 110.A O no hydrogen 2.991 N/A ILE 92.A N PRO 52.A O no hydrogen 2.988 N/A SER 93.A N GLN 112.A O no hydrogen 2.801 N/A SER 93.A OG GLU 56.A OE1 no hydrogen 2.696 N/A VAL 94.A N VAL 54.A O no hydrogen 2.875 N/A PHE 95.A N LEU 114.A O no hydrogen 3.066 N/A LYS 96.A N SER 58.A OG no hydrogen 3.056 N/A LYS 96.A NZ GLU 60.A OE1 no hydrogen 2.939 N/A GLY 97.A N PHE 95.A O no hydrogen 3.163 N/A GLY 97.A N SER 115.A OG no hydrogen 2.950 N/A CYS 100.A N ASN 17.A OD1 no hydrogen 3.031 N/A TRP 101.A N SER 115.A O no hydrogen 3.088 N/A SER 102.A N ASP 28.A O no hydrogen 3.281 N/A SER 102.A OG SER 103.A O no hydrogen 2.737 N/A SER 102.A OG GLU 129.A O no hydrogen 3.420 N/A GLY 105.A N HIS 132.A O no hydrogen 2.951 N/A ASN 106.A N TYR 45.A O no hydrogen 2.792 N/A ASN 106.A ND2 ARG 46.A O no hydrogen 3.135 N/A ARG 107.A N GLN 112.A OE1 no hydrogen 2.811 N/A ARG 107.A NE ASP 32.A OD1 no hydrogen 2.848 N/A ARG 107.A NH1 ASP 32.A OD1 no hydrogen 3.441 N/A ARG 107.A NH2 VAL 104.A O no hydrogen 2.878 N/A ARG 108.A N ASN 106.A OD1 no hydrogen 3.043 N/A ARG 108.A NE LYS 44.A O no hydrogen 2.547 N/A ARG 108.A NH1 LYS 44.A O no hydrogen 3.532 N/A GLY 110.A N ASN 90.A OD1 no hydrogen 2.896 N/A GLN 112.A N TYR 91.A O no hydrogen 2.875 N/A GLN 112.A NE2 GLY 105.A O no hydrogen 2.914 N/A LEU 114.A N SER 93.A O no hydrogen 3.018 N/A SER 115.A N TRP 101.A O no hydrogen 2.910 N/A SER 115.A OG GLY 99.A O no hydrogen 2.796 N/A ILE 116.A N PHE 95.A O no hydrogen 2.991 N/A GLY 117.A N GLY 99.A O no hydrogen 2.968 N/A CYS 120.A N GLY 117.A O no hydrogen 3.031 N/A CYS 120.A SG ALA 118.A O no hydrogen 3.723 N/A ASP 121.A N ASP 121.A OD2 no hydrogen 2.732 N/A ARG 122.A N CYS 120.A O no hydrogen 2.866 N/A ARG 122.A NH2 ASP 6.A OD1 no hydrogen 3.076 N/A VAL 126.A N ARG 122.A O no hydrogen 3.102 N/A GLN 127.A N ILE 123.A O no hydrogen 2.912 N/A GLN 127.A NE2 ASP 210.A OD1 no hydrogen 2.998 N/A HIS 128.A N ALA 124.A O no hydrogen 2.927 N/A HIS 128.A ND1 VAL 178.A O no hydrogen 2.802 N/A GLU 129.A N THR 125.A O no hydrogen 2.909 N/A PHE 130.A N VAL 126.A O no hydrogen 2.956 N/A LEU 131.A N GLN 127.A O no hydrogen 2.940 N/A HIS 132.A N HIS 128.A O no hydrogen 3.149 N/A HIS 132.A ND1 PHE 136.A O no hydrogen 2.785 N/A ALA 133.A N GLU 129.A O no hydrogen 3.029 N/A LEU 134.A N PHE 130.A O no hydrogen 2.913 N/A GLY 135.A N HIS 132.A O no hydrogen 2.845 N/A PHE 136.A N LEU 131.A O no hydrogen 3.010 N/A TRP 137.A NE1 SER 39.A O no hydrogen 2.703 N/A HIS 138.A ND1 GLU 26.A OE2 no hydrogen 2.718 N/A GLU 139.A N MET 179.A O no hydrogen 3.020 N/A SER 141.A OG HIS 138.A O no hydrogen 3.081 N/A ARG 142.A N GLU 139.A O no hydrogen 3.287 N/A ARG 142.A NE ASP 144.A OD1 no hydrogen 2.904 N/A ARG 142.A NH1 GLU 139.A OE2 no hydrogen 3.526 N/A ARG 142.A NH1 VAL 171.A O no hydrogen 2.990 N/A ARG 142.A NH2 ASP 144.A OD1 no hydrogen 3.364 N/A ARG 142.A NH2 ASP 144.A OD2 no hydrogen 2.772 N/A ARG 145.A N ARG 142.A O no hydrogen 3.125 N/A ARG 145.A NE ASP 146.A OD1 no hydrogen 2.857 N/A ARG 145.A NH1 GLN 140.A O no hydrogen 2.977 N/A ARG 145.A NH1 PHE 164.A O no hydrogen 3.224 N/A ARG 145.A NH2 PHE 164.A O no hydrogen 2.685 N/A ASP 147.A N ASP 144.A O no hydrogen 2.985 N/A TYR 148.A N ARG 145.A O no hydrogen 2.895 N/A VAL 149.A N ARG 145.A O no hydrogen 2.846 N/A ARG 150.A N VAL 195.A O no hydrogen 2.846 N/A MET 152.A N THR 193.A O no hydrogen 2.801 N/A ARG 155.A N MET 152.A O no hydrogen 3.047 N/A ARG 155.A NH1 PRO 192.A O no hydrogen 2.854 N/A ILE 156.A N TRP 153.A O no hydrogen 3.269 N/A LEU 157.A N PHE 186.A O no hydrogen 2.979 N/A GLY 159.A N GLU 161.A OE1 no hydrogen 2.862 N/A ARG 160.A N LEU 157.A O no hydrogen 2.993 N/A ARG 160.A NE GLU 18.A OE1 no hydrogen 3.109 N/A ARG 160.A NE GLU 18.A OE2 no hydrogen 3.197 N/A ARG 160.A NH1 SER 158.A O no hydrogen 3.230 N/A ARG 160.A NH2 GLU 18.A OE1 no hydrogen 2.814 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 3.002 N/A ASN 163.A N ARG 160.A O no hydrogen 3.306 N/A ASN 163.A ND2 ARG 160.A O no hydrogen 3.017 N/A PHE 164.A N GLU 161.A O no hydrogen 3.085 N/A ASN 165.A N HIS 162.A O no hydrogen 3.191 N/A TYR 173.A OH HIS 180.A NE2 no hydrogen 2.675 N/A ASP 174.A N GLU 139.A OE2 no hydrogen 2.689 N/A TYR 175.A OH TYR 148.A O no hydrogen 3.253 N/A THR 176.A N ASP 174.A OD2 no hydrogen 3.201 N/A SER 177.A N ASP 174.A O no hydrogen 3.164 N/A SER 177.A OG ASP 215.A OD1 no hydrogen 2.668 N/A VAL 178.A N ASP 215.A OD2 no hydrogen 2.839 N/A MET 179.A N SER 177.A OG no hydrogen 2.896 N/A HIS 180.A N SER 177.A O no hydrogen 3.203 N/A HIS 180.A ND1 TYR 181.A O no hydrogen 2.713 N/A HIS 180.A NE2 TYR 173.A OH no hydrogen 2.675 N/A TYR 181.A N GLN 140.A OE1 no hydrogen 2.913 N/A TYR 181.A OH ASN 163.A O no hydrogen 3.203 N/A SER 182.A OG THR 184.A OG1 no hydrogen 2.957 N/A LYS 183.A NZ ASP 203.A OD2 no hydrogen 2.807 N/A THR 184.A N SER 182.A OG no hydrogen 3.417 N/A THR 184.A OG1 SER 182.A OG no hydrogen 2.957 N/A ALA 185.A N SER 182.A O no hydrogen 3.223 N/A GLN 187.A N THR 184.A O no hydrogen 3.018 N/A GLN 187.A NE2 GLU 191.A O no hydrogen 2.865 N/A ASN 188.A N ARG 155.A O no hydrogen 2.765 N/A THR 193.A N LYS 183.A O no hydrogen 2.829 N/A THR 193.A OG1 LYS 183.A O no hydrogen 3.311 N/A THR 193.A OG1 ALA 185.A O no hydrogen 2.650 N/A ILE 194.A N LYS 183.A O no hydrogen 3.347 N/A VAL 195.A N ARG 150.A O no hydrogen 2.989 N/A THR 196.A OG1 ILE 198.A O no hydrogen 2.620 N/A ARG 197.A N TYR 148.A O no hydrogen 2.975 N/A ARG 197.A NE ASP 146.A O no hydrogen 2.701 N/A ARG 197.A NH2 ASP 146.A O no hydrogen 2.813 N/A PHE 201.A N ILE 198.A O no hydrogen 3.220 N/A GLU 202.A N SER 199.A O no hydrogen 3.113 N/A VAL 204.A N PHE 201.A O no hydrogen 2.966 N/A ILE 205.A N PHE 201.A O no hydrogen 3.285 N/A GLN 207.A NE2 THR 176.A O no hydrogen 2.812 N/A GLN 207.A NE2 ASP 210.A O no hydrogen 2.797 N/A ARG 208.A NE ASP 12.A OD2 no hydrogen 2.830 N/A ARG 208.A NH1 HIS 180.A O no hydrogen 2.988 N/A ARG 208.A NH1 GLN 207.A O no hydrogen 2.936 N/A ARG 208.A NH2 ASP 12.A OD1 no hydrogen 2.911 N/A ARG 208.A NH2 HIS 180.A O no hydrogen 2.683 N/A MET 209.A N GLN 207.A OE1 no hydrogen 2.810 N/A ASP 210.A N GLN 207.A OE1 no hydrogen 3.364 N/A PHE 211.A N ASP 210.A OD1 no hydrogen 2.724 N/A SER 212.A N ASP 215.A OD2 no hydrogen 2.904 N/A SER 212.A OG ASP 174.A OD1 no hydrogen 2.612 N/A ASP 215.A N SER 212.A OG no hydrogen 3.045 N/A LEU 216.A N SER 212.A O no hydrogen 3.067 N/A LEU 217.A N ASP 213.A O no hydrogen 2.936 N/A LYS 218.A N SER 214.A O no hydrogen 3.116 N/A LEU 219.A N ASP 215.A O no hydrogen 3.186 N/A ASN 220.A N LEU 216.A O no hydrogen 2.813 N/A ASN 220.A ND2 LYS 77.A O no hydrogen 3.062 N/A GLN 221.A N LEU 217.A O no hydrogen 2.855 N/A LEU 222.A N LYS 218.A O no hydrogen 3.095 N/A TYR 223.A N LEU 219.A O no hydrogen 3.117 N/A TYR 223.A OH TRP 47.A O no hydrogen 2.736 N/A ASN 224.A N GLN 221.A O no hydrogen 3.268 N/A CYS 225.A N ASN 220.A O no hydrogen 2.868 N/A CYS 225.A SG ASN 220.A O no hydrogen 3.913 N/A CYS 225.A SG ASN 220.A OD1 no hydrogen 3.278 N/A SER 228.A OG ARG 75.A O no hydrogen 3.504 N/A SER 228.A OG LEU 76.A O no hydrogen 2.787 N/A SER 230.A N ARG 75.A O no hydrogen 3.028 N/A PHE 231.A N SER 228.A OG no hydrogen 2.987 N/A MET 232.A N LEU 386.A O no hydrogen 3.021 N/A ASP 233.A N LEU 386.A O no hydrogen 3.051 N/A SER 234.A OG ASN 385.A OD1 no hydrogen 2.723 N/A CYS 235.A N ILE 384.A O no hydrogen 2.805 N/A SER 236.A OG ASP 383.A OD1 no hydrogen 2.779 N/A VAL 242.A N LEU 239.A O no hydrogen 3.047 N/A CYS 243.A SG SER 234.A O no hydrogen 3.929 N/A GLY 244.A N ASN 241.A O no hydrogen 2.998 N/A MET 245.A N VAL 242.A O no hydrogen 2.937 N/A ILE 246.A N GLU 292.A O no hydrogen 2.798 N/A SER 248.A N VAL 290.A O no hydrogen 2.754 N/A SER 249.A OG THR 288.A O no hydrogen 2.551 N/A ASP 251.A N SER 249.A OG no hydrogen 2.890 N/A TRP 255.A NE1 ALA 289.A O no hydrogen 2.983 N/A GLN 256.A N HIS 277.A O no hydrogen 2.849 N/A GLN 256.A NE2 ASP 254.A OD2 no hydrogen 2.735 N/A ARG 257.A NE PHE 237.A O no hydrogen 2.926 N/A ARG 257.A NH2 PHE 237.A O no hydrogen 3.423 N/A ARG 257.A NH2 GLU 238.A O no hydrogen 2.910 N/A VAL 258.A N PHE 275.A O no hydrogen 2.994 N/A VAL 261.A N PRO 265.A O no hydrogen 2.894 N/A GLY 264.A N VAL 261.A O no hydrogen 2.843 N/A SER 267.A OG GLU 266.A OE1 no hydrogen 3.458 N/A SER 267.A OG GLU 266.A OE2 no hydrogen 3.310 N/A SER 267.A OG ASP 268.A O no hydrogen 3.294 N/A HIS 269.A N ASP 382.A OD1 no hydrogen 2.841 N/A HIS 269.A ND1 ASP 383.A OD2 no hydrogen 2.921 N/A SER 270.A N ASP 382.A OD1 no hydrogen 3.236 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 3.049 N/A SER 270.A OG ASP 382.A OD1 no hydrogen 3.036 N/A SER 270.A OG ASP 383.A OD1 no hydrogen 2.658 N/A ASN 271.A N ASP 268.A OD2 no hydrogen 2.988 N/A PHE 274.A N GLU 238.A OE2 no hydrogen 3.254 N/A PHE 275.A N VAL 258.A O no hydrogen 2.933 N/A MET 276.A N ILE 381.A O no hydrogen 3.086 N/A HIS 277.A N GLN 256.A O no hydrogen 2.808 N/A HIS 277.A ND1 SER 380.A OG no hydrogen 2.733 N/A PHE 278.A N LEU 379.A O no hydrogen 2.654 N/A SER 280.A N GLY 377.A O no hydrogen 2.929 N/A SER 280.A OG ASP 317.A OD2 no hydrogen 2.730 N/A SER 280.A OG SER 375.A OG no hydrogen 2.675 N/A SER 280.A OG GLY 377.A O no hydrogen 3.232 N/A SER 281.A N ASP 279.A OD2 no hydrogen 3.107 N/A SER 281.A OG ASP 279.A OD1 no hydrogen 3.248 N/A SER 281.A OG ASP 279.A OD2 no hydrogen 2.539 N/A SER 281.A OG SER 282.A OG no hydrogen 3.328 N/A SER 282.A N ASP 279.A OD1 no hydrogen 3.086 N/A SER 282.A OG SER 281.A OG no hydrogen 3.328 N/A GLY 286.A N LYS 370.A O no hydrogen 2.734 N/A ALA 287.A N ASN 284.A O no hydrogen 3.125 N/A THR 288.A N ASP 251.A OD2 no hydrogen 3.218 N/A THR 288.A OG1 ASP 251.A OD2 no hydrogen 3.108 N/A ALA 289.A N GLY 368.A O no hydrogen 3.131 N/A VAL 290.A N SER 248.A O no hydrogen 2.697 N/A LEU 291.A N PHE 366.A O no hydrogen 2.735 N/A GLU 292.A N ILE 246.A O no hydrogen 2.853 N/A SER 293.A N VAL 364.A O no hydrogen 2.813 N/A SER 293.A OG ARG 294.A O no hydrogen 2.829 N/A ARG 294.A NH1 ASP 233.A OD1 no hydrogen 2.904 N/A ARG 294.A NH1 CYS 243.A O no hydrogen 3.139 N/A ARG 294.A NH2 ASP 233.A OD1 no hydrogen 2.954 N/A LEU 296.A N PHE 362.A O no hydrogen 2.793 N/A LYS 299.A N GLU 388.A OE1 no hydrogen 3.213 N/A LYS 299.A N GLU 388.A OE2 no hydrogen 2.635 N/A LYS 299.A NZ SER 228.A O no hydrogen 2.764 N/A ARG 300.A N GLU 388.A OE1 no hydrogen 2.930 N/A ARG 300.A NH1 GLU 72.A OE1 no hydrogen 2.851 N/A ARG 300.A NH1 GLU 388.A O no hydrogen 2.893 N/A ARG 300.A NH2 GLU 72.A OE2 no hydrogen 2.815 N/A GLN 303.A N LEU 356.A O no hydrogen 2.901 N/A GLN 303.A NE2 VAL 358.A O no hydrogen 2.928 N/A GLN 303.A NE2 GLU 388.A OE1 no hydrogen 3.082 N/A CYS 304.A N SER 387.A O no hydrogen 2.782 N/A LEU 305.A N VAL 354.A O no hydrogen 2.896 N/A GLN 306.A N ASN 385.A O no hydrogen 2.813 N/A PHE 307.A N TYR 352.A O no hydrogen 3.164 N/A TYR 308.A N ASP 382.A O no hydrogen 3.024 N/A TYR 308.A OH GLN 468.A OE1 no hydrogen 2.798 N/A LEU 309.A N GLN 350.A O no hydrogen 2.894 N/A TYR 310.A N SER 380.A O no hydrogen 2.836 N/A ASN 311.A ND2 SER 314.A O no hydrogen 3.104 N/A ASN 311.A ND2 ILE 344.A O no hydrogen 2.967 N/A SER 312.A N GLY 378.A O no hydrogen 2.808 N/A SER 312.A OG GLY 264.A O no hydrogen 2.875 N/A SER 312.A OG GLY 378.A O no hydrogen 3.289 N/A GLY 313.A N ASN 311.A OD1 no hydrogen 2.811 N/A SER 314.A N ASP 317.A OD2 no hydrogen 3.041 N/A SER 314.A OG SER 316.A OG no hydrogen 2.781 N/A SER 314.A OG ASP 317.A OD1 no hydrogen 2.894 N/A SER 316.A OG SER 314.A OG no hydrogen 2.781 N/A SER 316.A OG SER 372.A O no hydrogen 2.721 N/A ASP 317.A N SER 314.A O no hydrogen 3.271 N/A GLN 318.A N ARG 369.A O no hydrogen 3.103 N/A GLN 318.A NE2 ASN 320.A OD1 no hydrogen 2.758 N/A GLN 318.A NE2 GLU 340.A OE2 no hydrogen 3.155 N/A LEU 319.A N ILE 341.A O no hydrogen 2.957 N/A ASN 320.A N GLU 367.A O no hydrogen 2.854 N/A ASN 320.A ND2 GLU 367.A OE1 no hydrogen 2.896 N/A ILE 321.A N GLU 339.A O no hydrogen 2.805 N/A TYR 322.A N VAL 365.A O no hydrogen 2.852 N/A TYR 322.A OH GLU 367.A OE1 no hydrogen 2.776 N/A ILE 323.A N THR 336.A O no hydrogen 2.867 N/A ARG 324.A N ARG 363.A O no hydrogen 2.984 N/A ARG 324.A NH1 ASP 332.A O no hydrogen 2.859 N/A GLU 325.A N ASN 334.A O no hydrogen 2.893 N/A TYR 326.A N LYS 361.A O no hydrogen 2.908 N/A SER 327.A OG ASP 329.A OD2 no hydrogen 2.724 N/A ASN 330.A N SER 327.A O no hydrogen 3.083 N/A ASP 332.A N ASN 330.A OD1 no hydrogen 3.389 N/A GLY 333.A N ASN 330.A O no hydrogen 3.188 N/A ASN 334.A N GLU 325.A O no hydrogen 2.771 N/A THR 336.A N ILE 323.A O no hydrogen 2.799 N/A VAL 338.A N ILE 321.A O no hydrogen 2.803 N/A GLU 339.A N ILE 321.A O no hydrogen 3.225 N/A ILE 341.A N LEU 319.A O no hydrogen 2.714 N/A GLY 347.A N ASN 311.A O no hydrogen 3.104 N/A GLN 350.A N LEU 309.A O no hydrogen 2.791 N/A LEU 351.A N TYR 544.A OH no hydrogen 3.056 N/A TYR 352.A N PHE 307.A O no hydrogen 2.858 N/A VAL 354.A N LEU 305.A O no hydrogen 2.705 N/A LEU 356.A N GLN 303.A O no hydrogen 3.007 N/A VAL 358.A N GLN 303.A OE1 no hydrogen 2.968 N/A THR 359.A N GLU 325.A OE2 no hydrogen 3.464 N/A PHE 362.A N LEU 296.A O no hydrogen 2.959 N/A ARG 363.A N ARG 324.A O no hydrogen 2.921 N/A ARG 363.A NE THR 295.A OG1 no hydrogen 3.081 N/A VAL 364.A N SER 293.A OG no hydrogen 2.907 N/A VAL 365.A N TYR 322.A O no hydrogen 2.890 N/A PHE 366.A N LEU 291.A O no hydrogen 2.769 N/A GLU 367.A N ASN 320.A O no hydrogen 2.773 N/A GLY 368.A N ALA 289.A O no hydrogen 2.895 N/A ARG 369.A N GLN 318.A O no hydrogen 2.856 N/A LYS 370.A N ALA 287.A O no hydrogen 2.954 N/A LYS 370.A NZ SER 280.A O no hydrogen 2.883 N/A LYS 370.A NZ GLY 373.A O no hydrogen 3.294 N/A GLY 371.A N ASP 317.A OD1 no hydrogen 2.961 N/A SER 375.A OG SER 280.A OG no hydrogen 2.675 N/A SER 375.A OG GLY 377.A O no hydrogen 3.231 N/A GLY 377.A N SER 375.A OG no hydrogen 3.272 N/A GLY 378.A N SER 312.A OG no hydrogen 2.973 N/A LEU 379.A N PHE 278.A O no hydrogen 2.913 N/A SER 380.A N TYR 310.A O no hydrogen 2.870 N/A SER 380.A OG HIS 277.A ND1 no hydrogen 2.733 N/A ILE 381.A N MET 276.A O no hydrogen 2.967 N/A ASP 382.A N TYR 308.A O no hydrogen 3.025 N/A ASP 383.A N ASP 382.A OD2 no hydrogen 2.828 N/A ILE 384.A N CYS 235.A O no hydrogen 2.932 N/A ASN 385.A N GLN 306.A O no hydrogen 2.735 N/A ASN 385.A ND2 ASP 383.A O no hydrogen 3.543 N/A ASN 385.A ND2 PRO 470.A O no hydrogen 2.927 N/A LEU 386.A N ASP 233.A O no hydrogen 2.806 N/A SER 387.A N CYS 304.A O no hydrogen 3.203 N/A SER 387.A OG THR 389.A OG1 no hydrogen 2.680 N/A GLU 388.A N SER 230.A O no hydrogen 2.693 N/A THR 389.A OG1 SER 387.A OG no hydrogen 2.680 N/A CYS 391.A SG THR 355.A OG1 no hydrogen 3.318 N/A HIS 393.A N THR 548.A OG1 no hydrogen 3.361 N/A HIS 394.A N LEU 547.A O no hydrogen 2.915 N/A HIS 394.A NE2 TYR 418.A O no hydrogen 2.803 N/A TRP 396.A N ILE 545.A O no hydrogen 2.859 N/A ILE 398.A N VAL 543.A O no hydrogen 2.816 N/A PHE 401.A N ASP 541.A O no hydrogen 2.918 N/A THR 402.A N ASP 541.A OD1 no hydrogen 2.908 N/A THR 402.A OG1 ASP 541.A OD1 no hydrogen 2.696 N/A GLN 403.A NE2 ASN 400.A O no hydrogen 2.846 N/A PHE 404.A N PHE 401.A O no hydrogen 3.073 N/A ILE 405.A N THR 402.A O no hydrogen 3.165 N/A GLY 406.A N LEU 431.A O no hydrogen 2.777 N/A SER 407.A N PHE 404.A O no hydrogen 3.116 N/A SER 407.A OG GLN 403.A O no hydrogen 2.849 N/A SER 407.A OG ILE 405.A O no hydrogen 3.549 N/A GLY 410.A N SER 407.A O no hydrogen 2.827 N/A LEU 412.A N LEU 429.A O no hydrogen 2.917 N/A SER 414.A N ILE 427.A O no hydrogen 2.849 N/A SER 414.A OG PRO 415.A O no hydrogen 2.940 N/A PHE 417.A N PHE 425.A O no hydrogen 2.886 N/A SER 419.A N TYR 423.A O no hydrogen 2.767 N/A SER 419.A OG TYR 423.A O no hydrogen 3.536 N/A SER 420.A OG VAL 549.A O no hydrogen 3.088 N/A GLY 422.A N SER 419.A O no hydrogen 2.932 N/A TYR 423.A N SER 419.A OG no hydrogen 3.204 N/A TYR 423.A OH GLN 453.A O no hydrogen 2.556 N/A PHE 425.A N PHE 417.A O no hydrogen 2.804 N/A GLN 426.A N HIS 442.A O no hydrogen 2.895 N/A GLN 426.A NE2 SER 414.A O no hydrogen 2.846 N/A ILE 427.A N SER 414.A OG no hydrogen 2.897 N/A TYR 428.A N TYR 440.A O no hydrogen 2.880 N/A LEU 429.A N LEU 412.A O no hydrogen 2.806 N/A ASN 430.A N GLY 438.A O no hydrogen 2.821 N/A LEU 431.A N GLY 410.A O no hydrogen 2.685 N/A ALA 432.A N ASN 430.A OD1 no hydrogen 3.021 N/A THR 435.A N HIS 433.A ND1 no hydrogen 2.968 N/A ASN 436.A N HIS 433.A ND1 no hydrogen 2.955 N/A ALA 437.A N ILE 527.A O no hydrogen 2.793 N/A GLY 438.A N ASN 430.A O no hydrogen 2.854 N/A ILE 439.A N THR 523.A O no hydrogen 2.866 N/A TYR 440.A N TYR 428.A O no hydrogen 2.864 N/A PHE 441.A N TYR 521.A O no hydrogen 2.827 N/A HIS 442.A N GLN 426.A O no hydrogen 2.864 N/A HIS 442.A ND1 GLY 518.A O no hydrogen 2.837 N/A ILE 444.A N ALA 424.A O no hydrogen 2.855 N/A SER 445.A N ARG 516.A O no hydrogen 2.886 N/A GLY 446.A N ASP 449.A OD2 no hydrogen 2.971 N/A ALA 447.A N TYR 418.A OH no hydrogen 3.080 N/A ASN 448.A ND2 GLY 422.A O no hydrogen 2.951 N/A ASP 449.A N GLY 446.A O no hydrogen 3.256 N/A GLN 451.A N ASN 448.A O no hydrogen 2.899 N/A TRP 454.A NE1 ASP 449.A O no hydrogen 2.867 N/A CYS 456.A N TRP 497.A O no hydrogen 2.976 N/A CYS 456.A SG THR 484.A OG1 no hydrogen 3.563 N/A TRP 458.A N THR 484.A O no hydrogen 2.811 N/A GLN 459.A N THR 484.A OG1 no hydrogen 3.037 N/A GLN 459.A NE2 PRO 457.A O no hydrogen 2.858 N/A GLN 459.A NE2 ASP 551.A OD1 no hydrogen 3.057 N/A GLN 460.A N GLU 550.A O no hydrogen 2.719 N/A GLN 460.A NE2 ASN 62.A O no hydrogen 3.124 N/A GLN 460.A NE2 ASN 62.A OD1 no hydrogen 2.862 N/A ALA 461.A N ILE 482.A O no hydrogen 2.767 N/A THR 462.A N THR 548.A O no hydrogen 2.779 N/A THR 462.A OG1 SER 481.A OG no hydrogen 2.717 N/A MET 463.A N ARG 480.A O no hydrogen 2.894 N/A THR 464.A N LEU 546.A O no hydrogen 2.925 N/A THR 464.A OG1 GLN 479.A OE1 no hydrogen 2.758 N/A LEU 465.A N ASN 478.A O no hydrogen 2.747 N/A LEU 466.A N TYR 544.A O no hydrogen 2.977 N/A ASP 467.A N SER 477.A OG no hydrogen 2.968 N/A GLN 468.A N ASP 536.A O no hydrogen 2.935 N/A GLN 468.A NE2 PHE 537.A O no hydrogen 3.162 N/A GLN 468.A NE2 ASP 542.A O no hydrogen 2.986 N/A ASN 469.A N ASP 467.A O no hydrogen 2.826 N/A ASP 471.A N ASN 469.A OD1 no hydrogen 2.979 N/A ILE 472.A N ASN 385.A OD1 no hydrogen 3.025 N/A ARG 473.A N ASP 471.A OD1 no hydrogen 2.861 N/A ARG 473.A NE ASP 471.A OD1 no hydrogen 2.950 N/A ARG 473.A NE ASP 471.A OD2 no hydrogen 3.211 N/A ARG 473.A NH2 ASP 471.A OD2 no hydrogen 2.691 N/A GLN 474.A N ASP 471.A O no hydrogen 2.836 N/A ARG 475.A N ILE 472.A O no hydrogen 3.410 N/A ARG 475.A NE ASN 469.A O no hydrogen 2.794 N/A ARG 475.A NH1 GLN 306.A OE1 no hydrogen 2.845 N/A ARG 475.A NH2 ASN 469.A O no hydrogen 2.947 N/A MET 476.A N ASP 467.A OD1 no hydrogen 2.766 N/A ASN 478.A N LEU 465.A O no hydrogen 3.079 N/A ASN 478.A ND2 PHE 526.A O no hydrogen 2.917 N/A ARG 480.A N MET 463.A O no hydrogen 3.037 N/A ARG 480.A NH1 ASP 6.A OD2 no hydrogen 3.192 N/A ARG 480.A NH2 ASP 6.A OD1 no hydrogen 3.508 N/A ARG 480.A NH2 ASP 6.A OD2 no hydrogen 3.166 N/A SER 481.A OG THR 462.A OG1 no hydrogen 2.717 N/A ILE 482.A N ALA 461.A O no hydrogen 3.022 N/A THR 483.A OG1 ASN 62.A OD1 no hydrogen 2.751 N/A THR 484.A N GLN 459.A O no hydrogen 2.963 N/A THR 484.A OG1 CYS 456.A O no hydrogen 2.989 N/A PHE 487.A N ASP 485.A OD2 no hydrogen 3.022 N/A MET 488.A N ASP 485.A O no hydrogen 3.135 N/A THR 489.A OG1 THR 490.A O no hydrogen 3.458 N/A THR 489.A OG1 ASN 494.A O no hydrogen 2.740 N/A THR 490.A N ASN 494.A O no hydrogen 2.701 N/A THR 490.A OG1 ASN 494.A O no hydrogen 2.982 N/A GLY 493.A N THR 490.A O no hydrogen 3.267 N/A PHE 496.A N MET 488.A O no hydrogen 2.878 N/A ASP 498.A N TYR 495.A O no hydrogen 3.156 N/A ARG 499.A N ASP 498.A OD2 no hydrogen 2.814 N/A ARG 499.A NE SER 501.A OG no hydrogen 2.908 N/A ARG 499.A NH1 ASP 450.A OD1 no hydrogen 2.839 N/A ARG 499.A NH2 ASP 450.A OD1 no hydrogen 2.781 N/A LYS 502.A N ARG 499.A O no hydrogen 2.818 N/A LYS 502.A NZ ASP 498.A OD1 no hydrogen 3.347 N/A VAL 503.A N ARG 499.A O no hydrogen 3.064 N/A GLY 504.A N PRO 500.A O no hydrogen 2.671 N/A THR 505.A N ARG 517.A O no hydrogen 2.813 N/A THR 505.A OG1 ARG 517.A O no hydrogen 3.437 N/A ALA 507.A N PHE 515.A O no hydrogen 2.836 N/A PHE 509.A N THR 513.A O no hydrogen 2.829 N/A GLY 512.A N PHE 509.A O no hydrogen 2.800 N/A THR 513.A N ASN 511.A OD1 no hydrogen 2.955 N/A THR 513.A OG1 ASN 511.A OD1 no hydrogen 3.422 N/A PHE 515.A N ALA 507.A O no hydrogen 2.883 N/A ARG 516.A N SER 445.A OG no hydrogen 2.975 N/A ARG 516.A NH1 GLY 504.A O no hydrogen 2.806 N/A ARG 517.A N THR 505.A O no hydrogen 2.768 N/A ARG 517.A NE GLN 426.A OE1 no hydrogen 2.942 N/A ARG 517.A NH2 GLN 426.A OE1 no hydrogen 2.950 N/A GLY 518.A N LEU 443.A O no hydrogen 2.731 N/A GLY 520.A N ASN 2.A OD1 no hydrogen 3.207 N/A TYR 521.A N PHE 441.A O no hydrogen 2.926 N/A GLY 522.A N PHE 3.A O no hydrogen 3.038 N/A THR 523.A N ILE 439.A O no hydrogen 2.912 N/A THR 523.A OG1 ASP 6.A OD2 no hydrogen 2.411 N/A SER 524.A N ASP 4.A OD2 no hydrogen 3.170 N/A SER 524.A OG ASP 4.A OD1 no hydrogen 2.571 N/A ALA 525.A N THR 523.A OG1 no hydrogen 3.007 N/A PHE 526.A N ALA 437.A O no hydrogen 2.863 N/A HIS 529.A N THR 435.A O no hydrogen 2.854 N/A HIS 529.A NE2 HIS 433.A O no hydrogen 2.724 N/A ARG 531.A N THR 528.A OG1 no hydrogen 3.151 N/A ARG 531.A NH1 VAL 204.A O no hydrogen 2.870 N/A ARG 531.A NH2 VAL 204.A O no hydrogen 3.255 N/A ARG 531.A NH2 ILE 205.A O no hydrogen 3.031 N/A LEU 532.A N THR 528.A O no hydrogen 2.898 N/A LYS 533.A N HIS 529.A O no hydrogen 2.950 N/A LYS 533.A NZ GLU 530.A OE1 no hydrogen 3.292 N/A SER 534.A N ARG 531.A O no hydrogen 2.938 N/A SER 534.A OG ARG 531.A O no hydrogen 2.629 N/A ARG 535.A NE ASP 467.A OD1 no hydrogen 2.677 N/A ARG 535.A NH2 ASP 467.A OD1 no hydrogen 3.301 N/A ASP 536.A N ASP 467.A OD2 no hydrogen 2.932 N/A LYS 539.A N ASP 542.A O no hydrogen 3.128 N/A LYS 539.A NZ SER 270.A O no hydrogen 3.106 N/A LYS 539.A NZ GLN 468.A O no hydrogen 3.346 N/A ASP 542.A N LYS 539.A O no hydrogen 3.056 N/A VAL 543.A N ILE 398.A O no hydrogen 2.902 N/A ILE 545.A N TRP 396.A O no hydrogen 2.889 N/A LEU 546.A N THR 464.A O no hydrogen 2.811 N/A LEU 547.A N HIS 394.A O no hydrogen 2.849 N/A THR 548.A N THR 462.A O no hydrogen 3.181 N/A VAL 549.A N HIS 393.A ND1 no hydrogen 3.147 N/A GLU 550.A N GLN 460.A O no hydrogen 2.948 N/A ILE 552.A N TRP 458.A O no hydrogen 2.923 N/A SER 553.A N ASP 551.A OD2 no hydrogen 2.882 N/A SER 553.A OG ASP 551.A OD2 no hydrogen 2.631 N/A LEU 555.A N ILE 552.A O no hydrogen 2.948 N/A ASN 556.A N SER 553.A O no hydrogen 3.164 N/A SER 557.A OG HIS 554.A O no hydrogen 3.178 N/A THR 558.A OG1 ASP 57.A OD2 no hydrogen 2.966 N/A GLN 559.A NE2 TYR 53.A O no hydrogen 2.805 N/A GLN 561.A NE2 ALA 86.A O no hydrogen 3.318 N/A