Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ga2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASP 440.A O no hydrogen 2.976 N/A TYR 3.A N GLY 438.A O no hydrogen 3.222 N/A TYR 3.A OH ASP 347.A OD1 no hydrogen 2.532 N/A GLU 5.A N ASN 2.A OD1 no hydrogen 2.893 N/A ALA 6.A N ASN 2.A O no hydrogen 3.288 N/A LEU 7.A N TYR 3.A O no hydrogen 2.843 N/A GLN 8.A N GLY 4.A O no hydrogen 2.888 N/A GLN 8.A NE2 ILE 442.A O no hydrogen 2.718 N/A LYS 9.A N GLU 5.A O no hydrogen 2.921 N/A LYS 9.A NZ GLU 5.A OE2 no hydrogen 2.788 N/A LYS 9.A NZ GLY 360.A O no hydrogen 2.741 N/A SER 10.A N ALA 6.A O no hydrogen 2.834 N/A SER 10.A OG THR 427.A OG1 no hydrogen 2.649 N/A ILE 11.A N LEU 7.A O no hydrogen 3.085 N/A MET 12.A N GLN 8.A O no hydrogen 3.102 N/A PHE 13.A N LYS 9.A O no hydrogen 2.927 N/A TYR 14.A N ILE 11.A O no hydrogen 3.230 N/A TYR 14.A OH CYS 420.A O no hydrogen 2.762 N/A GLU 15.A N MET 12.A O no hydrogen 2.839 N/A PHE 16.A N PHE 13.A O no hydrogen 3.068 N/A GLN 17.A N TYR 14.A O no hydrogen 2.936 N/A GLN 17.A NE2 TYR 51.A O no hydrogen 3.005 N/A GLN 17.A NE2 ALA 53.A O no hydrogen 3.054 N/A ARG 18.A N GLU 15.A O no hydrogen 3.385 N/A ARG 18.A NE GLU 15.A O no hydrogen 3.071 N/A SER 19.A N GLY 49.A O no hydrogen 2.942 N/A SER 19.A OG TYR 51.A OH no hydrogen 2.854 N/A GLY 20.A N SER 34.A O no hydrogen 2.767 N/A LEU 22.A N ASP 33.A OD1 no hydrogen 3.058 N/A LYS 26.A N PRO 23.A O no hydrogen 3.209 N/A LYS 26.A NZ ASP 28.A O no hydrogen 2.748 N/A LYS 26.A NZ ASP 28.A OD2 no hydrogen 3.122 N/A LYS 26.A NZ ARG 31.A O no hydrogen 2.807 N/A ARG 27.A NE GLU 15.A OE1 no hydrogen 2.906 N/A ARG 27.A NE GLU 15.A OE2 no hydrogen 3.337 N/A ARG 27.A NH1 GLU 15.A OE2 no hydrogen 2.889 N/A ARG 27.A NH2 PHE 445.A O no hydrogen 3.249 N/A ASN 29.A ND2 GLU 449.A O no hydrogen 2.847 N/A TRP 30.A N ASP 28.A OD2 no hydrogen 3.054 N/A ARG 31.A N ASP 28.A OD2 no hydrogen 2.881 N/A ARG 31.A NE GLU 129.A OE2 no hydrogen 2.647 N/A ARG 31.A NH1 PHE 16.A O no hydrogen 2.855 N/A ARG 31.A NH1 ARG 18.A O no hydrogen 2.825 N/A ARG 31.A NH2 ARG 18.A O no hydrogen 2.985 N/A ARG 31.A NH2 GLU 129.A OE2 no hydrogen 3.223 N/A ASP 32.A N GLU 129.A OE2 no hydrogen 2.825 N/A ASP 33.A N ASP 32.A OD1 no hydrogen 2.616 N/A SER 34.A N GLY 20.A O no hydrogen 3.313 N/A SER 34.A OG TYR 51.A OH no hydrogen 2.563 N/A ASP 38.A N GLY 35.A O no hydrogen 3.192 N/A SER 40.A N LYS 37.A O no hydrogen 2.845 N/A SER 40.A OG LYS 37.A O no hydrogen 2.798 N/A VAL 42.A N GLY 39.A O no hydrogen 2.966 N/A GLY 43.A N SER 40.A O no hydrogen 3.441 N/A VAL 44.A N GLY 39.A O no hydrogen 3.131 N/A LEU 46.A N ASP 38.A O no hydrogen 3.081 N/A THR 47.A N ASP 45.A OD1 no hydrogen 2.967 N/A THR 47.A OG1 ASP 45.A OD1 no hydrogen 2.783 N/A TYR 51.A N GLN 17.A O no hydrogen 2.755 N/A TYR 51.A OH SER 34.A OG no hydrogen 2.563 N/A ASP 52.A N VAL 57.A O no hydrogen 3.022 N/A ALA 53.A N ASP 55.A OD1 no hydrogen 2.899 N/A GLY 54.A N GLU 417.A OE2 no hydrogen 2.911 N/A HIS 56.A N ASP 121.A OD1 no hydrogen 2.908 N/A HIS 56.A NE2 THR 373.A OG1 no hydrogen 2.931 N/A LYS 58.A N VAL 115.A O no hydrogen 2.960 N/A LYS 58.A NZ ASP 38.A OD2 no hydrogen 2.741 N/A LYS 58.A NZ LEU 46.A O no hydrogen 2.824 N/A LYS 58.A NZ GLY 48.A O no hydrogen 2.882 N/A ASN 60.A N TYR 113.A O no hydrogen 3.142 N/A ASN 60.A ND2 TYR 100.A OH no hydrogen 2.794 N/A MET 63.A N PHE 59.A O no hydrogen 3.165 N/A SER 64.A N ASN 60.A O no hydrogen 2.943 N/A SER 64.A OG ASN 60.A O no hydrogen 2.667 N/A SER 64.A OG LEU 61.A O no hydrogen 3.092 N/A SER 64.A OG SER 152.A OG no hydrogen 2.662 N/A TYR 65.A N LEU 61.A O no hydrogen 3.001 N/A THR 66.A N PRO 62.A O no hydrogen 2.961 N/A THR 66.A OG1 PRO 62.A O no hydrogen 2.787 N/A SER 67.A N MET 63.A O no hydrogen 3.122 N/A SER 67.A OG MET 63.A O no hydrogen 3.216 N/A SER 67.A OG SER 64.A O no hydrogen 3.320 N/A SER 67.A OG SER 156.A OG no hydrogen 2.585 N/A ALA 68.A N SER 64.A O no hydrogen 2.933 N/A MET 69.A N TYR 65.A O no hydrogen 2.934 N/A LEU 70.A N THR 66.A O no hydrogen 2.958 N/A ALA 71.A N SER 67.A O no hydrogen 2.974 N/A TRP 72.A N ALA 68.A O no hydrogen 2.878 N/A TRP 72.A NE1 GLU 76.A OE2 no hydrogen 2.880 N/A SER 73.A N MET 69.A O no hydrogen 3.050 N/A SER 73.A OG TYR 81.A OH no hydrogen 2.610 N/A LEU 74.A N LEU 70.A O no hydrogen 3.061 N/A TYR 75.A N ALA 71.A O no hydrogen 2.869 N/A GLU 76.A N TRP 72.A O no hydrogen 2.941 N/A ASP 77.A N SER 73.A O no hydrogen 2.739 N/A LYS 78.A NZ.A ASP 82.A OD1 no hydrogen 3.183 N/A LYS 78.A NZ.A ASP 82.A OD2 no hydrogen 3.343 N/A LYS 78.A NZ.B ASP 82.A OD2 no hydrogen 2.634 N/A ALA 80.A N ASP 77.A O no hydrogen 2.932 N/A TYR 81.A N ASP 77.A O no hydrogen 3.363 N/A TYR 81.A OH SER 73.A OG no hydrogen 2.610 N/A ASP 82.A N LYS 78.A O.A no hydrogen 2.810 N/A ASP 82.A N LYS 78.A O.B no hydrogen 2.817 N/A LYS 83.A N ASP 79.A O no hydrogen 2.978 N/A SER 84.A N ALA 80.A O no hydrogen 3.066 N/A SER 84.A OG ALA 80.A O no hydrogen 2.859 N/A SER 84.A OG TYR 81.A O no hydrogen 3.072 N/A GLY 85.A N ASP 82.A O no hydrogen 3.001 N/A GLN 86.A N TYR 81.A O no hydrogen 3.021 N/A GLN 86.A NE2 SER 84.A O no hydrogen 2.992 N/A THR 87.A OG1 ASP 82.A OD1 no hydrogen 2.727 N/A LYS 88.A NZ ASP 92.A OD2 no hydrogen 2.917 N/A ILE 90.A N GLN 86.A O no hydrogen 3.126 N/A MET 91.A N THR 87.A O no hydrogen 3.049 N/A ASP 92.A N LYS 88.A O no hydrogen 2.931 N/A GLY 93.A N TYR 89.A O no hydrogen 3.138 N/A ILE 94.A N ILE 90.A O no hydrogen 2.939 N/A LYS 95.A N MET 91.A O no hydrogen 2.893 N/A LYS 95.A NZ ASP 99.A OD1 no hydrogen 3.229 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 2.872 N/A TRP 96.A N ASP 92.A O no hydrogen 2.851 N/A TRP 96.A NE1 GLY 49.A O no hydrogen 2.818 N/A ALA 97.A N GLY 93.A O no hydrogen 3.140 N/A ASN 98.A N ILE 94.A O no hydrogen 3.040 N/A ASN 98.A ND2 ILE 94.A O no hydrogen 2.898 N/A ASP 99.A N LYS 95.A O no hydrogen 2.801 N/A PHE 101.A N ALA 97.A O no hydrogen 3.013 N/A ILE 102.A N ASN 98.A O no hydrogen 2.971 N/A LYS 103.A N ASP 99.A O no hydrogen 3.116 N/A LYS 103.A NZ ASP 45.A OD1 no hydrogen 3.391 N/A LYS 103.A NZ ASP 45.A OD2 no hydrogen 3.153 N/A LYS 103.A NZ THR 47.A O no hydrogen 3.050 N/A CYS 104.A N TYR 100.A O no hydrogen 2.927 N/A CYS 104.A SG ASN 60.A OD1 no hydrogen 3.626 N/A CYS 104.A SG TYR 100.A O no hydrogen 3.458 N/A ASN 105.A N ILE 102.A O no hydrogen 3.033 N/A ASN 105.A ND2 VAL 110.A O no hydrogen 2.887 N/A ASN 105.A ND2 ASN 181.A OD1 no hydrogen 3.198 N/A GLY 109.A N ASN 181.A OD1 no hydrogen 2.882 N/A VAL 110.A N THR 107.A O no hydrogen 3.162 N/A TYR 111.A N VAL 140.A O no hydrogen 3.078 N/A TYR 112.A N CYS 104.A O no hydrogen 2.802 N/A TYR 113.A N PHE 138.A O no hydrogen 2.861 N/A VAL 115.A N LYS 58.A O no hydrogen 3.121 N/A GLY 116.A N PRO 136.A O no hydrogen 2.772 N/A LYS 120.A N ASP 117.A OD2 no hydrogen 2.971 N/A ASP 121.A N ASP 117.A O no hydrogen 2.743 N/A HIS 122.A N GLY 118.A O no hydrogen 2.944 N/A HIS 122.A NE2 ASP 55.A OD2 no hydrogen 2.726 N/A SER 123.A N LYS 120.A O no hydrogen 3.258 N/A SER 123.A OG LYS 120.A O no hydrogen 2.624 N/A TRP 124.A NE1 GLY 552.A O no hydrogen 2.881 N/A TRP 125.A N ASP 380.A OD1 no hydrogen 2.692 N/A TRP 125.A NE1 HIS 375.A ND1 no hydrogen 2.929 N/A ALA 128.A N THR 373.A OG1 no hydrogen 2.880 N/A VAL 130.A N PRO 127.A O no hydrogen 3.186 N/A MET 131.A N ALA 128.A O no hydrogen 3.361 N/A ARG 135.A NE ASP 38.A OD1 no hydrogen 2.688 N/A ARG 135.A NH1 HIS 56.A O no hydrogen 2.761 N/A ARG 135.A NH2 ASP 38.A OD2 no hydrogen 2.929 N/A ARG 135.A NH2 HIS 56.A O no hydrogen 3.216 N/A SER 137.A N ASP 41.A OD2 no hydrogen 2.882 N/A SER 137.A OG ASP 41.A OD1 no hydrogen 2.771 N/A PHE 138.A N GLN 114.A O no hydrogen 3.030 N/A VAL 140.A N TYR 111.A O no hydrogen 2.838 N/A ASP 141.A N LYS 144.A O no hydrogen 2.862 N/A SER 143.A N ASP 141.A OD1 no hydrogen 2.985 N/A SER 143.A OG ASP 141.A OD1 no hydrogen 2.808 N/A LYS 144.A N ASP 141.A O no hydrogen 3.229 N/A LYS 144.A N ASP 141.A OD1 no hydrogen 3.002 N/A SER 147.A N SER 191.A O no hydrogen 2.824 N/A SER 147.A OG ALA 186.A O no hydrogen 2.770 N/A SER 147.A OG SER 191.A O no hydrogen 3.157 N/A ALA 148.A N ASP 192.A OD1 no hydrogen 2.911 N/A CYS 150.A N GLY 146.A O no hydrogen 2.892 N/A CYS 150.A SG GLY 146.A O no hydrogen 3.309 N/A ALA 151.A N SER 147.A O no hydrogen 2.868 N/A SER 152.A N ALA 148.A O no hydrogen 2.774 N/A SER 152.A OG LEU 61.A O no hydrogen 3.503 N/A SER 152.A OG SER 64.A OG no hydrogen 2.662 N/A THR 153.A N VAL 149.A O no hydrogen 3.088 N/A THR 153.A OG1 TYR 111.A OH no hydrogen 2.629 N/A THR 153.A OG1 VAL 149.A O no hydrogen 2.783 N/A ALA 154.A N CYS 150.A O no hydrogen 2.897 N/A ALA 155.A N ALA 151.A O no hydrogen 2.804 N/A SER 156.A N SER 152.A O no hydrogen 3.028 N/A SER 156.A OG SER 67.A OG no hydrogen 2.585 N/A SER 156.A OG ASN 98.A OD1 no hydrogen 2.765 N/A LEU 157.A N THR 153.A O no hydrogen 2.864 N/A ALA 158.A N ALA 154.A O no hydrogen 2.804 N/A SER 159.A N ALA 155.A O no hydrogen 2.926 N/A SER 159.A OG ALA 155.A O no hydrogen 2.857 N/A SER 159.A OG SER 156.A O no hydrogen 2.916 N/A ALA 160.A N SER 156.A O no hydrogen 2.904 N/A ALA 161.A N LEU 157.A O no hydrogen 2.933 N/A VAL 162.A N ALA 158.A O no hydrogen 3.024 N/A VAL 163.A N SER 159.A O no hydrogen 3.197 N/A PHE 164.A N ALA 160.A O no hydrogen 2.905 N/A LYS 165.A N ALA 161.A O no hydrogen 2.939 N/A LYS 165.A NZ ALA 221.A O no hydrogen 2.792 N/A ASP 168.A N PHE 164.A O no hydrogen 2.742 N/A TYR 171.A N ASP 168.A OD1 no hydrogen 3.094 N/A TYR 171.A OH ASP 99.A OD1 no hydrogen 2.752 N/A ALA 172.A N ASP 168.A O no hydrogen 3.032 N/A GLU 173.A N PRO 169.A O no hydrogen 3.026 N/A LYS 174.A N THR 170.A O no hydrogen 2.909 N/A LYS 174.A NZ HIS 178.A NE2 no hydrogen 2.976 N/A CYS 175.A N TYR 171.A O no hydrogen 2.838 N/A CYS 175.A SG TYR 171.A O no hydrogen 3.428 N/A ILE 176.A N ALA 172.A O no hydrogen 2.943 N/A SER 177.A N GLU 173.A O no hydrogen 2.927 N/A SER 177.A OG GLU 173.A O no hydrogen 2.991 N/A HIS 178.A N LYS 174.A O no hydrogen 3.245 N/A HIS 178.A ND1 ASN 105.A OD1 no hydrogen 2.716 N/A ALA 179.A N CYS 175.A O no hydrogen 2.845 N/A LYS 180.A N ILE 176.A O no hydrogen 2.883 N/A ASN 181.A N SER 177.A O no hydrogen 3.300 N/A LEU 182.A N HIS 178.A O no hydrogen 3.019 N/A PHE 183.A N ALA 179.A O no hydrogen 2.872 N/A ASP 184.A N LYS 180.A O no hydrogen 2.980 N/A MET 185.A N ASN 181.A O no hydrogen 3.005 N/A ALA 186.A N LEU 182.A O no hydrogen 2.975 N/A ASP 187.A N PHE 183.A O no hydrogen 2.771 N/A LYS 188.A N ASP 184.A O no hydrogen 2.924 N/A ALA 189.A N MET 185.A O no hydrogen 3.142 N/A LYS 190.A N ALA 186.A O no hydrogen 3.007 N/A LYS 190.A NZ ASP 187.A O no hydrogen 2.794 N/A LYS 190.A NZ ASP 187.A OD1 no hydrogen 3.299 N/A SER 191.A N SER 147.A OG no hydrogen 2.916 N/A ALA 193.A N SER 191.A OG no hydrogen 3.029 N/A GLY 194.A N PRO 145.A O no hydrogen 2.610 N/A TYR 195.A N ASP 192.A O no hydrogen 2.939 N/A TYR 195.A OH TYR 202.A O no hydrogen 2.633 N/A THR 196.A N TYR 113.A OH no hydrogen 3.189 N/A ALA 197.A N TYR 113.A OH no hydrogen 2.960 N/A SER 199.A N THR 196.A O no hydrogen 3.091 N/A SER 199.A OG THR 196.A O no hydrogen 3.222 N/A TYR 201.A N ALA 198.A O no hydrogen 2.826 N/A TYR 202.A N ALA 198.A O no hydrogen 2.838 N/A TYR 202.A OH ASP 52.A OD2 no hydrogen 2.441 N/A SER 204.A OG ASP 192.A OD2 no hydrogen 2.727 N/A SER 205.A N ASP 256.A OD2 no hydrogen 3.067 N/A SER 205.A OG ASP 256.A OD1 no hydrogen 2.614 N/A SER 205.A OG ASP 256.A OD2 no hydrogen 3.518 N/A SER 206.A N SER 204.A OG no hydrogen 3.323 N/A SER 206.A OG ASP 209.A OD1 no hydrogen 2.910 N/A SER 206.A OG ASP 209.A OD2 no hydrogen 3.393 N/A LEU 211.A N PHE 207.A O no hydrogen 2.921 N/A SER 212.A N TYR 208.A O no hydrogen 3.103 N/A SER 212.A OG TYR 208.A O no hydrogen 3.536 N/A SER 212.A OG ALA 231.A O no hydrogen 2.886 N/A TRP 213.A N ASP 209.A O no hydrogen 2.915 N/A ALA 214.A N ASP 210.A O no hydrogen 2.847 N/A ALA 215.A N LEU 211.A O no hydrogen 2.904 N/A VAL 216.A N SER 212.A O no hydrogen 2.895 N/A TRP 217.A N TRP 213.A O no hydrogen 3.133 N/A LEU 218.A N ALA 214.A O no hydrogen 2.806 N/A TYR 219.A N ALA 215.A O no hydrogen 2.830 N/A LEU 220.A N VAL 216.A O no hydrogen 2.991 N/A ALA 221.A N TRP 217.A O no hydrogen 2.921 N/A THR 222.A N LEU 218.A O no hydrogen 2.854 N/A THR 222.A OG1 LEU 218.A O no hydrogen 2.760 N/A ASN 223.A N TYR 219.A O no hydrogen 2.684 N/A ASP 224.A N THR 222.A OG1 no hydrogen 3.094 N/A THR 226.A N ASP 224.A OD1 no hydrogen 2.903 N/A THR 226.A OG1 ASP 224.A OD1 no hydrogen 2.755 N/A TYR 227.A N ASP 224.A O no hydrogen 3.029 N/A ASP 229.A N SER 225.A O no hydrogen 2.956 N/A LYS 230.A N THR 226.A O no hydrogen 3.189 N/A LYS 230.A NZ ASP 187.A OD2 no hydrogen 2.752 N/A ALA 231.A N TYR 227.A O no hydrogen 2.854 N/A GLU 232.A N LEU 228.A O no hydrogen 3.074 N/A SER 233.A N ASP 229.A O no hydrogen 2.989 N/A SER 233.A OG LYS 230.A O no hydrogen 2.708 N/A TYR 234.A N LYS 230.A O no hydrogen 3.342 N/A TYR 234.A OH ASP 187.A OD1 no hydrogen 2.666 N/A VAL 235.A N GLU 232.A O no hydrogen 3.223 N/A ASN 237.A N TYR 234.A O no hydrogen 2.812 N/A ASN 237.A ND2 SER 233.A O no hydrogen 3.595 N/A ASN 237.A ND2 TYR 234.A O no hydrogen 3.557 N/A TRP 238.A N VAL 235.A O no hydrogen 3.071 N/A TRP 238.A NE1 SER 212.A OG no hydrogen 3.033 N/A GLU 241.A N ILE 246.A O no hydrogen 2.748 N/A THR 244.A N.A GLU 241.A O no hydrogen 3.057 N/A THR 244.A N.B GLU 241.A O no hydrogen 3.064 N/A THR 244.A OG1.A GLU 241.A O no hydrogen 3.499 N/A THR 244.A OG1.A GLN 242.A O no hydrogen 2.874 N/A THR 244.A OG1.B GLU 241.A O no hydrogen 2.819 N/A ILE 246.A N THR 244.A OG1.B no hydrogen 2.915 N/A ALA 248.A N GLY 239.A O no hydrogen 3.069 N/A TYR 249.A N GLU 241.A OE2 no hydrogen 2.784 N/A TYR 249.A OH THR 293.A OG1 no hydrogen 3.340 N/A LYS 250.A N GLU 241.A OE2 no hydrogen 3.037 N/A TRP 251.A N TYR 260.A OH no hydrogen 2.994 N/A GLN 253.A N GLN 317.A OE1 no hydrogen 2.855 N/A CYS 254.A N ASP 257.A O no hydrogen 2.945 N/A CYS 254.A SG GLY 252.A O no hydrogen 3.709 N/A ASP 257.A N CYS 254.A O no hydrogen 3.055 N/A VAL 258.A N ASP 209.A OD2 no hydrogen 2.926 N/A HIS 259.A N ASP 257.A OD1 no hydrogen 3.122 N/A HIS 259.A ND1 ASP 257.A OD1 no hydrogen 2.588 N/A HIS 259.A NE2 ALA 248.A O no hydrogen 2.823 N/A GLY 261.A N GLN 253.A OE1 no hydrogen 2.869 N/A ALA 262.A N VAL 258.A O no hydrogen 3.058 N/A GLU 263.A N HIS 259.A O no hydrogen 2.869 N/A LEU 264.A N TYR 260.A O no hydrogen 3.112 N/A LEU 265.A N GLY 261.A O no hydrogen 2.976 N/A LEU 266.A N ALA 262.A O no hydrogen 2.805 N/A ALA 267.A N GLU 263.A O no hydrogen 2.844 N/A LYS 268.A N LEU 264.A O no hydrogen 3.141 N/A LYS 268.A NZ GLU 76.A OE2 no hydrogen 2.752 N/A LEU 269.A N LEU 265.A O no hydrogen 2.856 N/A THR 270.A N LEU 266.A O no hydrogen 2.917 N/A THR 270.A OG1 LEU 266.A O no hydrogen 2.783 N/A ASN 271.A N ALA 267.A O no hydrogen 2.739 N/A LYS 272.A N THR 270.A OG1 no hydrogen 3.146 N/A LYS 272.A NZ GLU 232.A OE1 no hydrogen 3.362 N/A LYS 272.A NZ GLU 232.A OE2 no hydrogen 2.670 N/A TYR 275.A OH GLU 232.A OE2 no hydrogen 2.567 N/A LYS 276.A N LYS 272.A O no hydrogen 3.337 N/A LYS 276.A NZ ASN 271.A OD1 no hydrogen 3.106 N/A ASP 277.A N GLN 273.A O no hydrogen 2.795 N/A SER 278.A N LEU 274.A O no hydrogen 3.023 N/A SER 278.A OG LEU 274.A O no hydrogen 2.626 N/A ILE 279.A N TYR 275.A O no hydrogen 2.979 N/A GLU 280.A N LYS 276.A O no hydrogen 3.040 N/A MET 281.A N ASP 277.A O no hydrogen 2.978 N/A ASN 282.A N SER 278.A O no hydrogen 3.246 N/A ASN 282.A ND2 TYR 249.A O no hydrogen 2.839 N/A ASN 282.A ND2 TRP 251.A O no hydrogen 2.931 N/A LEU 283.A N ILE 279.A O no hydrogen 2.882 N/A ASP 284.A N GLU 280.A O no hydrogen 2.682 N/A PHE 285.A N MET 281.A O no hydrogen 2.912 N/A TRP 286.A N ASN 282.A O no hydrogen 3.100 N/A TRP 286.A NE1 TRP 251.A O no hydrogen 2.847 N/A THR 287.A N ASP 284.A O no hydrogen 2.930 N/A THR 287.A OG1 LEU 283.A O no hydrogen 2.718 N/A THR 287.A OG1 ASP 284.A O no hydrogen 3.390 N/A THR 288.A OG1 GLY 289.A O no hydrogen 2.803 N/A GLY 289.A N ASP 284.A O no hydrogen 2.615 N/A VAL 290.A N THR 293.A O no hydrogen 2.707 N/A THR 293.A N VAL 290.A O no hydrogen 2.807 N/A THR 293.A OG1 TYR 249.A OH no hydrogen 3.340 N/A THR 293.A OG1 VAL 290.A O no hydrogen 2.601 N/A ARG 294.A NE THR 287.A O no hydrogen 2.670 N/A ARG 294.A NH2 THR 287.A O no hydrogen 3.073 N/A VAL 295.A N PHE 285.A O no hydrogen 2.994 N/A SER 296.A OG.A ASN 402.A OD1 no hydrogen 2.812 N/A TYR 297.A OH TRP 286.A O no hydrogen 2.653 N/A THR 298.A N LEU 302.A O no hydrogen 2.873 N/A THR 298.A OG1 ASP 404.A OD1 no hydrogen 2.705 N/A THR 298.A OG1 ASP 404.A OD2 no hydrogen 3.462 N/A LYS 300.A N ASP 404.A OD2 no hydrogen 2.971 N/A GLY 301.A N THR 298.A O no hydrogen 3.003 N/A LEU 302.A N THR 298.A OG1 no hydrogen 3.006 N/A ALA 303.A N GLN 345.A OE1 no hydrogen 2.835 N/A TRP 304.A N SER 296.A O.A no hydrogen 2.708 N/A TRP 304.A N SER 296.A O.B no hydrogen 2.735 N/A TRP 304.A NE1 PRO 400.A O no hydrogen 2.883 N/A SER 310.A OG GLY 398.A O no hydrogen 3.561 N/A SER 310.A OG PRO 400.A O no hydrogen 2.984 N/A LEU 311.A N GLY 398.A O no hydrogen 2.884 N/A ARG 312.A NE GLY 309.A O no hydrogen 3.140 N/A ARG 312.A NH1 ASP 421.A OD2 no hydrogen 2.773 N/A ARG 312.A NH2 TRP 308.A O no hydrogen 2.901 N/A HIS 313.A N GLY 309.A O no hydrogen 3.145 N/A ALA 314.A N SER 310.A O no hydrogen 3.089 N/A THR 315.A N LEU 311.A O no hydrogen 2.886 N/A THR 315.A OG1 LEU 311.A O no hydrogen 2.733 N/A THR 315.A OG1 ARG 312.A O no hydrogen 3.382 N/A THR 316.A N ARG 312.A O no hydrogen 3.103 N/A THR 316.A OG1 ARG 312.A O no hydrogen 2.681 N/A GLN 317.A N HIS 313.A O no hydrogen 3.032 N/A GLN 317.A NE2 ASN 282.A OD1 no hydrogen 2.853 N/A ALA 318.A N ALA 314.A O no hydrogen 2.936 N/A PHE 319.A N THR 315.A O no hydrogen 3.204 N/A LEU 320.A N THR 316.A O no hydrogen 3.131 N/A ALA 321.A N GLN 317.A O no hydrogen 2.861 N/A GLY 322.A N ALA 318.A O no hydrogen 2.964 N/A VAL 323.A N PHE 319.A O no hydrogen 2.954 N/A TYR 324.A N LEU 320.A O no hydrogen 2.937 N/A TYR 324.A OH GLU 280.A OE2 no hydrogen 2.707 N/A ALA 325.A N ALA 321.A O no hydrogen 2.862 N/A GLU 326.A N GLY 322.A O no hydrogen 3.318 N/A GLU 326.A N VAL 323.A O no hydrogen 3.259 N/A TRP 327.A N TYR 324.A O no hydrogen 3.000 N/A CYS 330.A N TRP 327.A O no hydrogen 3.003 N/A CYS 330.A SG THR 331.A O no hydrogen 3.598 N/A THR 331.A N GLU 280.A OE2 no hydrogen 3.252 N/A THR 331.A OG1 GLU 280.A OE1 no hydrogen 2.763 N/A THR 331.A OG1 GLU 280.A OE2 no hydrogen 3.097 N/A LYS 334.A N THR 331.A O no hydrogen 2.990 N/A LYS 334.A NZ GLU 280.A OE1 no hydrogen 2.782 N/A LYS 334.A NZ ASP 284.A OD2 no hydrogen 2.720 N/A VAL 335.A N PRO 332.A O no hydrogen 3.234 N/A TYR 338.A N LYS 334.A O no hydrogen 2.830 N/A TYR 338.A OH ASP 284.A OD1 no hydrogen 2.706 N/A LYS 339.A N VAL 335.A O no hydrogen 2.940 N/A ASP 340.A N SER 336.A O.A no hydrogen 2.847 N/A ASP 340.A N SER 336.A O.B no hydrogen 2.867 N/A PHE 341.A N VAL 337.A O no hydrogen 3.032 N/A LEU 342.A N TYR 338.A O no hydrogen 2.989 N/A LYS 343.A N LYS 339.A O no hydrogen 3.127 N/A LYS 343.A NZ TYR 3.A OH no hydrogen 3.054 N/A LYS 343.A NZ ASP 347.A OD2 no hydrogen 2.771 N/A SER 344.A N.A ASP 340.A O no hydrogen 2.864 N/A SER 344.A N.B ASP 340.A O no hydrogen 2.845 N/A SER 344.A OG.A ASP 340.A O no hydrogen 3.335 N/A SER 344.A OG.A PHE 341.A O no hydrogen 3.008 N/A GLN 345.A N PHE 341.A O no hydrogen 2.994 N/A GLN 345.A NE2 GLY 301.A O no hydrogen 2.900 N/A GLN 345.A NE2 SER 344.A OG.A no hydrogen 3.240 N/A ILE 346.A N LEU 342.A O no hydrogen 3.094 N/A ASP 347.A N LYS 343.A O no hydrogen 2.804 N/A TYR 348.A N SER 344.A O.A no hydrogen 3.012 N/A TYR 348.A N SER 344.A O.B no hydrogen 3.016 N/A TYR 348.A OH ASP 404.A OD1 no hydrogen 2.530 N/A ALA 349.A N GLN 345.A O no hydrogen 3.204 N/A LEU 350.A N ILE 346.A O no hydrogen 2.916 N/A GLY 351.A N ASP 347.A O no hydrogen 2.850 N/A SER 352.A N ASP 347.A O no hydrogen 2.798 N/A GLY 354.A N GLY 351.A O no hydrogen 2.886 N/A ARG 355.A NE SER 356.A O no hydrogen 2.701 N/A SER 356.A N VAL 363.A O no hydrogen 2.778 N/A SER 356.A OG VAL 358.A O no hydrogen 3.089 N/A SER 356.A OG TYR 361.A O no hydrogen 2.800 N/A PHE 357.A N ALA 349.A O no hydrogen 2.975 N/A VAL 358.A N SER 356.A OG no hydrogen 2.852 N/A VAL 359.A N ALA 395.A O no hydrogen 2.887 N/A TYR 361.A N VAL 358.A O no hydrogen 3.194 N/A TYR 361.A OH ASN 2.A O no hydrogen 2.646 N/A GLN 367.A N ASP 408.A OD2 no hydrogen 2.671 N/A GLN 367.A NE2 PRO 365.A O no hydrogen 2.998 N/A HIS 368.A N ASP 408.A OD1 no hydrogen 2.892 N/A HIS 370.A N ASN 416.A O no hydrogen 2.852 N/A HIS 370.A ND1 ILE 410.A O no hydrogen 2.640 N/A HIS 371.A NE2 GLN 17.A OE1 no hydrogen 2.843 N/A ARG 372.A N GLY 54.A O no hydrogen 3.100 N/A ARG 372.A NE TRP 124.A O no hydrogen 2.811 N/A ARG 372.A NH1 GLY 54.A O no hydrogen 2.966 N/A ARG 372.A NH2 HIS 122.A O no hydrogen 3.211 N/A THR 373.A OG1 HIS 56.A NE2 no hydrogen 2.931 N/A ALA 374.A N HIS 371.A ND1 no hydrogen 2.941 N/A HIS 375.A N HIS 371.A O no hydrogen 3.173 N/A HIS 375.A NE2 PRO 385.A O no hydrogen 2.863 N/A GLY 376.A N ARG 372.A O no hydrogen 2.949 N/A SER 377.A OG GLN 381.A O no hydrogen 2.975 N/A SER 377.A OG SER 384.A O no hydrogen 2.776 N/A THR 379.A N SER 377.A OG no hydrogen 3.238 N/A GLN 381.A N SER 377.A OG no hydrogen 3.149 N/A GLN 381.A NE2 THR 379.A OG1 no hydrogen 2.783 N/A SER 384.A N GLN 381.A O no hydrogen 3.263 N/A HIS 388.A NE2 PRO 369.A O no hydrogen 2.650 N/A ARG 389.A N HIS 375.A O no hydrogen 2.974 N/A ARG 389.A NE GLY 376.A O no hydrogen 2.767 N/A ARG 389.A NH1 ASN 453.A OD1 no hydrogen 2.867 N/A ARG 389.A NH1 GLN 479.A O no hydrogen 2.869 N/A ARG 389.A NH2 GLY 376.A O no hydrogen 2.888 N/A ARG 389.A NH2 THR 480.A O no hydrogen 2.752 N/A HIS 390.A N ALA 374.A O no hydrogen 2.907 N/A HIS 390.A ND1 GLU 449.A OE1 no hydrogen 2.651 N/A THR 391.A N GLU 449.A OE2 no hydrogen 2.891 N/A GLY 394.A N VAL 359.A O no hydrogen 2.974 N/A ALA 395.A N ILE 392.A O no hydrogen 3.435 N/A LEU 396.A N ASN 423.A OD1 no hydrogen 2.902 N/A VAL 397.A N PHE 357.A O no hydrogen 3.109 N/A GLY 398.A N GLU 417.A O no hydrogen 2.994 N/A GLY 399.A N ASN 415.A O no hydrogen 2.961 N/A ASP 401.A N GLY 405.A O no hydrogen 2.812 N/A ALA 403.A N ASP 401.A OD2 no hydrogen 2.798 N/A ASP 404.A N ASP 401.A O no hydrogen 2.993 N/A GLY 405.A N ASP 401.A OD2 no hydrogen 2.732 N/A TYR 406.A OH ASN 416.A OD1 no hydrogen 2.588 N/A ASN 412.A N GLU 409.A O no hydrogen 3.268 N/A ASN 412.A ND2 ASN 415.A OD1 no hydrogen 3.596 N/A TYR 413.A N ASN 411.A O no hydrogen 3.051 N/A ASN 415.A ND2 GLY 399.A O no hydrogen 2.890 N/A ASN 416.A N ASN 412.A O no hydrogen 2.734 N/A ASN 416.A ND2 ASP 408.A OD1 no hydrogen 2.862 N/A ASN 416.A ND2 GLU 409.A O no hydrogen 3.209 N/A CYS 420.A N ASP 52.A O no hydrogen 2.906 N/A CYS 420.A SG TYR 51.A O no hydrogen 3.345 N/A CYS 420.A SG ASP 52.A O no hydrogen 3.508 N/A TYR 422.A N ALA 419.A O no hydrogen 3.034 N/A ASN 423.A N CYS 420.A O no hydrogen 3.160 N/A ASN 423.A ND2 SER 10.A OG no hydrogen 2.967 N/A ASN 423.A ND2 GLY 394.A O no hydrogen 2.758 N/A ALA 424.A N ASP 421.A O no hydrogen 3.357 N/A THR 427.A N ASN 423.A O no hydrogen 2.979 N/A THR 427.A OG1 SER 10.A OG no hydrogen 2.649 N/A THR 427.A OG1 ASN 423.A O no hydrogen 2.665 N/A ALA 429.A N GLY 425.A O no hydrogen 2.965 N/A LEU 430.A N PHE 426.A O no hydrogen 2.855 N/A ALA 431.A N THR 427.A O no hydrogen 3.054 N/A LYS 432.A N GLY 428.A O no hydrogen 3.241 N/A LYS 432.A NZ ASP 77.A OD1 no hydrogen 3.144 N/A LYS 432.A NZ ASP 77.A OD2 no hydrogen 2.831 N/A LYS 432.A NZ GLU 326.A OE2 no hydrogen 2.695 N/A MET 433.A N ALA 429.A O no hydrogen 2.967 N/A TYR 434.A N LEU 430.A O no hydrogen 2.836 N/A LYS 435.A N ALA 431.A O no hydrogen 3.031 N/A LYS 435.A NZ GLU 326.A OE1 no hydrogen 3.136 N/A HIS 436.A N LYS 432.A O no hydrogen 3.104 N/A SER 437.A N MET 433.A O no hydrogen 2.698 N/A GLY 438.A N TYR 434.A O no hydrogen 2.766 N/A ILE 442.A N GLN 8.A OE1 no hydrogen 2.754 N/A ALA 447.A N ARG 27.A O no hydrogen 2.673 N/A GLU 449.A N ASN 29.A OD1 no hydrogen 2.779 N/A ASN 453.A ND2 ASP 454.A O no hydrogen 2.981 N/A ASN 453.A ND2 GLN 479.A O no hydrogen 3.121 N/A ILE 457.A N TYR 477.A O no hydrogen 3.078 N/A LYS 459.A N VAL 475.A O no hydrogen 2.848 N/A ALA 460.A N ASN 592.A O no hydrogen 2.956 N/A GLY 461.A N LYS 473.A O no hydrogen 2.949 N/A LEU 462.A N PRO 586.A O no hydrogen 2.590 N/A ASN 463.A N GLU 471.A O no hydrogen 2.785 N/A SER 464.A N GLU 471.A O no hydrogen 3.301 N/A SER 464.A OG TYR 469.A OH no hydrogen 2.724 N/A GLY 466.A N TYR 469.A O no hydrogen 3.098 N/A ASN 468.A ND2 ALA 567.A O no hydrogen 2.942 N/A TYR 469.A N GLY 466.A O no hydrogen 3.223 N/A TYR 469.A OH SER 464.A OG no hydrogen 2.724 N/A THR 470.A N ILE 565.A O no hydrogen 3.199 N/A GLU 471.A N SER 464.A O no hydrogen 2.698 N/A ILE 472.A N PHE 563.A O no hydrogen 2.754 N/A LYS 473.A N GLY 461.A O no hydrogen 3.020 N/A LYS 473.A NZ SER 589.A O no hydrogen 3.389 N/A ALA 474.A N VAL 561.A O no hydrogen 2.756 N/A VAL 475.A N LYS 459.A O no hydrogen 2.710 N/A VAL 476.A N ARG 559.A O no hydrogen 2.942 N/A TYR 477.A N ILE 457.A O no hydrogen 2.926 N/A ASN 478.A N CYS 557.A O no hydrogen 2.675 N/A ASN 478.A ND2 ARG 485.A O no hydrogen 2.951 N/A ASN 478.A ND2 THR 487.A OG1 no hydrogen 2.744 N/A ASN 478.A ND2 ILE 549.A O no hydrogen 3.197 N/A GLN 479.A N GLU 455.A O no hydrogen 2.650 N/A GLN 479.A NE2 ASP 454.A O no hydrogen 2.976 N/A THR 480.A N ASN 478.A OD1 no hydrogen 2.983 N/A THR 480.A OG1 ASN 478.A OD1 no hydrogen 2.731 N/A THR 480.A OG1 ARG 485.A O no hydrogen 3.180 N/A GLY 481.A N GLU 455.A OE2 no hydrogen 2.937 N/A TRP 482.A N GLU 455.A OE2 no hydrogen 2.891 N/A TRP 482.A NE1 GLU 449.A OE1 no hydrogen 2.844 N/A ARG 485.A N THR 480.A OG1 no hydrogen 2.939 N/A ARG 485.A NH1 GLU 455.A OE1 no hydrogen 3.395 N/A ARG 485.A NH1 GLU 455.A OE2 no hydrogen 2.953 N/A ARG 485.A NH1 PRO 483.A O no hydrogen 2.751 N/A ARG 485.A NH2 GLU 455.A OE1 no hydrogen 2.900 N/A THR 487.A N ILE 549.A O no hydrogen 2.843 N/A THR 487.A OG1 ILE 549.A O no hydrogen 3.496 N/A SER 491.A N TYR 600.A O no hydrogen 2.986 N/A PHE 492.A N VAL 542.A O no hydrogen 2.890 N/A LYS 493.A N PRO 598.A O no hydrogen 3.116 N/A LYS 493.A NZ TYR 539.A OH no hydrogen 3.511 N/A LYS 493.A NZ ASN 541.A OD1 no hydrogen 3.022 N/A TYR 494.A N VAL 540.A O no hydrogen 2.994 N/A PHE 495.A N SER 581.A OG no hydrogen 2.802 N/A MET 496.A N TYR 538.A O no hydrogen 2.919 N/A ASP 497.A N ASP 579.A OD1 no hydrogen 2.841 N/A LEU 498.A N ASN 536.A O no hydrogen 2.731 N/A SER 499.A N ASP 497.A OD1 no hydrogen 2.825 N/A SER 499.A OG ASP 497.A OD1 no hydrogen 2.966 N/A GLU 500.A N GLU 500.A OE2 no hydrogen 2.868 N/A ILE 501.A N LEU 498.A O no hydrogen 2.870 N/A VAL 502.A N LEU 498.A O no hydrogen 3.158 N/A ALA 503.A N SER 499.A O no hydrogen 2.976 N/A ALA 504.A N GLU 500.A O no hydrogen 3.171 N/A ALA 504.A N ILE 501.A O no hydrogen 2.959 N/A GLY 505.A N VAL 502.A O no hydrogen 3.006 N/A ILE 506.A N ILE 501.A O no hydrogen 3.145 N/A LEU 509.A N ASP 507.A OD1 no hydrogen 2.975 N/A SER 510.A N ASP 507.A O no hydrogen 2.803 N/A SER 510.A OG ASP 507.A O no hydrogen 2.582 N/A LEU 511.A N PRO 508.A O no hydrogen 3.361 N/A VAL 512.A N ALA 566.A O no hydrogen 3.104 N/A THR 513.A OG1 SER 526.A O no hydrogen 2.759 N/A SER 514.A N ARG 564.A O no hydrogen 2.938 N/A SER 515.A OG GLN 562.A O no hydrogen 2.513 N/A GLU 519.A N GLU 560.A O no hydrogen 2.712 N/A ASN 522.A N GLU 547.A OE2 no hydrogen 2.648 N/A THR 523.A OG1 GLU 519.A O no hydrogen 2.792 N/A THR 523.A OG1 GLY 520.A O no hydrogen 3.154 N/A LYS 524.A N ASP 543.A O no hydrogen 3.057 N/A LYS 524.A NZ VAL 525.A O no hydrogen 2.932 N/A SER 526.A N ASN 541.A O no hydrogen 2.893 N/A SER 526.A OG GLY 527.A O no hydrogen 2.779 N/A SER 526.A OG ASN 541.A O no hydrogen 3.317 N/A LEU 529.A N TYR 539.A O no hydrogen 2.846 N/A TRP 531.A N VAL 537.A O no hydrogen 2.974 N/A ASP 532.A N VAL 537.A O no hydrogen 2.928 N/A ASN 535.A N ASP 532.A O no hydrogen 2.979 N/A ASN 535.A ND2 ASP 532.A OD2 no hydrogen 2.706 N/A ASN 536.A N VAL 533.A O no hydrogen 2.833 N/A VAL 537.A N ASP 532.A O no hydrogen 2.934 N/A TYR 538.A N MET 496.A O no hydrogen 2.958 N/A TYR 539.A N LEU 529.A O no hydrogen 2.760 N/A VAL 540.A N TYR 494.A O no hydrogen 2.901 N/A ASN 541.A N SER 526.A OG no hydrogen 2.809 N/A VAL 542.A N PHE 492.A O no hydrogen 2.946 N/A ASP 543.A N LYS 524.A O no hydrogen 2.936 N/A LEU 544.A N ILE 490.A O no hydrogen 2.710 N/A THR 545.A N ASP 543.A OD1 no hydrogen 2.992 N/A THR 545.A OG1 ASP 543.A OD1 no hydrogen 2.616 N/A THR 545.A OG1 ASP 543.A OD2 no hydrogen 3.559 N/A GLY 546.A N ASP 488.A O no hydrogen 2.771 N/A GLU 547.A N LEU 544.A O no hydrogen 3.065 N/A TYR 550.A N ALA 556.A O no hydrogen 3.097 N/A GLY 552.A N TYR 550.A O no hydrogen 2.856 N/A GLY 553.A N TRP 378.A O no hydrogen 3.195 N/A CYS 557.A N GLY 553.A O no hydrogen 3.060 N/A CYS 557.A SG GLY 553.A O no hydrogen 3.330 N/A CYS 557.A SG GLN 554.A O no hydrogen 3.718 N/A ARG 558.A N SER 555.A O no hydrogen 3.258 N/A ARG 558.A NE GLU 519.A OE2 no hydrogen 3.430 N/A ARG 559.A N VAL 476.A O no hydrogen 3.024 N/A ARG 559.A NE GLU 547.A OE1 no hydrogen 2.686 N/A ARG 559.A NH1 ALA 556.A O no hydrogen 3.407 N/A ARG 559.A NH1 ARG 558.A O no hydrogen 2.805 N/A ARG 559.A NH2 GLU 547.A OE1 no hydrogen 3.352 N/A GLU 560.A N GLU 519.A OE1 no hydrogen 2.902 N/A VAL 561.A N ALA 474.A O no hydrogen 2.678 N/A GLN 562.A N TYR 517.A O no hydrogen 2.879 N/A GLN 562.A NE2 ASN 516.A OD1 no hydrogen 2.710 N/A PHE 563.A N ILE 472.A O no hydrogen 2.935 N/A ARG 564.A N SER 514.A O no hydrogen 2.731 N/A ILE 565.A N THR 470.A O no hydrogen 3.092 N/A ALA 566.A N VAL 512.A O no hydrogen 2.880 N/A ALA 567.A N ASN 468.A O no hydrogen 2.694 N/A THR 571.A N PRO 568.A O no hydrogen 3.109 N/A THR 571.A OG1 PRO 568.A O no hydrogen 2.579 N/A TRP 574.A NE1 THR 470.A OG1 no hydrogen 3.006 N/A ASN 575.A N GLU 500.A OE1 no hydrogen 2.821 N/A LYS 577.A N ASN 575.A OD1 no hydrogen 2.965 N/A ASN 578.A ND2 GLU 500.A OE2 no hydrogen 3.204 N/A ASP 579.A N PRO 576.A O no hydrogen 2.980 N/A SER 581.A N PHE 495.A O no hydrogen 3.087 N/A SER 581.A OG ASN 596.A O no hydrogen 2.589 N/A TYR 582.A N ASP 579.A O no hydrogen 3.049 N/A LEU 585.A N TYR 582.A O no hydrogen 2.986 N/A SER 589.A N THR 588.A OG1 no hydrogen 2.558 N/A ASN 592.A N ALA 460.A O no hydrogen 3.218 N/A VAL 594.A N ILE 458.A O no hydrogen 3.249 N/A ASN 596.A ND2 PHE 580.A O no hydrogen 3.095 N/A ASN 596.A ND2 ASP 583.A O no hydrogen 2.605 N/A VAL 599.A N PHE 607.A O no hydrogen 2.877 N/A TYR 600.A N SER 491.A O no hydrogen 2.745 N/A TYR 600.A OH GLU 610.A OE2 no hydrogen 2.528 N/A ASP 601.A N VAL 604.A O no hydrogen 2.814 N/A ASN 602.A N LYS 489.A O no hydrogen 2.817 N/A VAL 604.A N ASP 601.A O no hydrogen 3.096 N/A LYS 605.A NZ GLY 608.A O no hydrogen 3.018 N/A VAL 606.A N VAL 599.A O no hydrogen 2.856 N/A PHE 607.A N VAL 599.A O no hydrogen 3.381 N/A ASN 609.A N THR 595.A O no hydrogen 2.750 N/A