Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c6g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N GLU 252.A OE1 no hydrogen 2.729 N/A HIS 2.A ND1 GLU 252.A OE1 no hydrogen 2.836 N/A HIS 2.A NE2 GLU 220.A OE2 no hydrogen 2.545 N/A VAL 3.A N SER 1.A OG no hydrogen 3.003 N/A LYS 4.A N SER 1.A O no hydrogen 2.974 N/A ASP 5.A N SER 1.A O no hydrogen 3.401 N/A ILE 6.A N HIS 2.A O no hydrogen 3.016 N/A LEU 7.A N VAL 3.A O no hydrogen 3.082 N/A GLY 8.A N LYS 4.A O no hydrogen 2.900 N/A LEU 9.A N ASP 5.A O no hydrogen 2.901 N/A ILE 10.A N ILE 6.A O no hydrogen 2.872 N/A ASN 11.A N LEU 7.A O no hydrogen 2.847 N/A ALA 12.A N GLY 8.A O no hydrogen 2.972 N/A PHE 13.A N LEU 9.A O no hydrogen 2.987 N/A ASN 14.A N ILE 10.A O no hydrogen 2.948 N/A GLU 15.A N ASN 11.A O no hydrogen 2.777 N/A VAL 16.A N ALA 12.A O no hydrogen 3.157 N/A ILE 19.A N LYS 42.A O no hydrogen 2.846 N/A VAL 21.A N ALA 44.A O no hydrogen 3.178 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.644 N/A THR 25.A N ASP 22.A OD1 no hydrogen 2.672 N/A THR 25.A OG1 ASP 22.A OD1 no hydrogen 3.336 N/A THR 25.A OG1 ASP 22.A OD2 no hydrogen 2.592 N/A ILE 27.A N ASN 315.A OD1 no hydrogen 2.905 N/A THR 28.A N HIS 31.A ND1 no hydrogen 3.001 N/A VAL 29.A N GLU 311.A OE2 no hydrogen 2.940 N/A HIS 31.A N THR 28.A OG1 no hydrogen 3.301 N/A VAL 32.A N THR 28.A O no hydrogen 3.125 N/A ALA 33.A N VAL 29.A O no hydrogen 3.010 N/A ALA 34.A N ALA 30.A O no hydrogen 2.792 N/A LEU 35.A N HIS 31.A O no hydrogen 2.863 N/A ALA 36.A N VAL 32.A O no hydrogen 2.953 N/A ARG 37.A N ALA 33.A O no hydrogen 2.865 N/A ARG 37.A N ALA 34.A O no hydrogen 3.210 N/A ARG 37.A NH1 ASP 211.A OD1 no hydrogen 2.887 N/A ARG 37.A NH2 ASP 211.A OD1 no hydrogen 3.396 N/A ARG 37.A NH2 ASP 211.A OD2 no hydrogen 3.011 N/A ARG 38.A N ALA 34.A O no hydrogen 2.763 N/A ARG 38.A NH1 PHE 13.A O no hydrogen 2.580 N/A ARG 38.A NH1 VAL 16.A O no hydrogen 3.013 N/A ARG 38.A NH2 VAL 16.A O no hydrogen 2.674 N/A ARG 38.A NH2 ASP 40.A OD2 no hydrogen 3.285 N/A VAL 41.A N ARG 38.A O no hydrogen 3.042 N/A LYS 42.A N LYS 17.A O no hydrogen 3.238 N/A LYS 42.A NZ ASN 125.A O no hydrogen 2.969 N/A VAL 43.A N ASN 125.A OD1 no hydrogen 2.818 N/A ALA 44.A N ILE 19.A O no hydrogen 2.951 N/A LEU 45.A N GLU 121.A OE2 no hydrogen 2.775 N/A GLU 46.A N VAL 21.A O no hydrogen 3.150 N/A CYS 48.A SG GLU 46.A O no hydrogen 3.709 N/A ARG 49.A NH1 GLU 53.A OE2 no hydrogen 2.648 N/A ARG 51.A NH1 THR 106.A O no hydrogen 2.909 N/A VAL 52.A N CYS 48.A O no hydrogen 3.168 N/A GLU 53.A N ARG 49.A O no hydrogen 3.200 N/A THR 54.A N ALA 50.A O no hydrogen 3.048 N/A THR 54.A OG1 ALA 50.A O no hydrogen 2.689 N/A CYS 55.A N ARG 51.A O no hydrogen 3.076 N/A CYS 55.A SG GLY 108.A O no hydrogen 3.290 N/A SER 56.A N VAL 52.A O no hydrogen 2.990 N/A SER 57.A N GLU 53.A O no hydrogen 2.832 N/A SER 57.A OG GLU 53.A O no hydrogen 2.609 N/A TRP 58.A N THR 54.A O no hydrogen 2.915 N/A TRP 58.A NE1 ASP 328.A OD1 no hydrogen 2.893 N/A VAL 59.A N CYS 55.A O no hydrogen 3.111 N/A GLN 60.A N SER 56.A O no hydrogen 2.896 N/A GLN 60.A NE2 GLN 60.A O no hydrogen 3.669 N/A ARG 61.A N SER 57.A O no hydrogen 2.756 N/A ARG 61.A NH1 ASP 65.A OD2 no hydrogen 3.287 N/A LYS 62.A N TRP 58.A O no hydrogen 3.183 N/A GLU 64.A N GLN 60.A O no hydrogen 3.329 N/A ASP 65.A N ARG 61.A O no hydrogen 2.827 N/A GLY 66.A N ALA 63.A O no hydrogen 3.043 N/A ALA 67.A N LYS 62.A O no hydrogen 2.988 N/A SER 75.A OG LEU 72.A O no hydrogen 2.754 N/A LEU 76.A N LEU 72.A O no hydrogen 3.395 N/A ILE 77.A N GLN 73.A O no hydrogen 3.258 N/A ARG 78.A N GLU 74.A O no hydrogen 2.683 N/A CYS 79.A N SER 75.A O no hydrogen 3.067 N/A CYS 79.A SG LEU 76.A O no hydrogen 3.479 N/A LEU 80.A N LEU 76.A O no hydrogen 3.201 N/A LEU 80.A N ILE 77.A O no hydrogen 3.119 N/A LEU 81.A N ILE 77.A O no hydrogen 3.061 N/A LEU 81.A N ARG 78.A O no hydrogen 3.392 N/A GLY 83.A N TYR 149.A OH no hydrogen 3.212 N/A THR 86.A OG1 ASP 87.A OD2 no hydrogen 2.681 N/A LEU 89.A N VAL 132.A O no hydrogen 2.809 N/A THR 94.A N PRO 90.A O no hydrogen 2.940 N/A THR 94.A OG1 PRO 90.A O no hydrogen 3.104 N/A ARG 95.A N ALA 91.A O no hydrogen 2.833 N/A ARG 95.A NH1 LEU 35.A O no hydrogen 2.818 N/A ARG 95.A NH2 LEU 124.A O no hydrogen 2.892 N/A SER 96.A N THR 92.A O no hydrogen 3.089 N/A SER 96.A OG THR 92.A O no hydrogen 2.809 N/A ALA 97.A N ALA 93.A O no hydrogen 2.817 N/A MET 98.A N THR 94.A O no hydrogen 2.852 N/A LEU 99.A N ARG 95.A O no hydrogen 3.107 N/A LEU 100.A N SER 96.A O no hydrogen 3.090 N/A ARG 101.A N ALA 97.A O no hydrogen 2.825 N/A ARG 101.A NE ALA 193.A O no hydrogen 2.964 N/A ARG 101.A NH1 SER 199.A OG no hydrogen 3.018 N/A ARG 101.A NH1 ASN 318.A OD1 no hydrogen 2.766 N/A ARG 101.A NH2 ALA 193.A O no hydrogen 2.933 N/A LEU 102.A N MET 98.A O no hydrogen 2.777 N/A ASN 103.A N LEU 99.A O no hydrogen 2.782 N/A ASN 103.A ND2 VAL 314.A O no hydrogen 2.991 N/A ASN 103.A ND2 ASN 315.A OD1 no hydrogen 3.389 N/A SER 104.A N LEU 100.A O no hydrogen 2.858 N/A SER 104.A OG ARG 101.A O no hydrogen 2.639 N/A PHE 105.A N LEU 102.A O no hydrogen 3.124 N/A THR 106.A N ASN 103.A O no hydrogen 3.021 N/A THR 106.A OG1 ASN 103.A O no hydrogen 2.762 N/A GLY 108.A N PHE 105.A O no hydrogen 3.051 N/A CYS 109.A SG TYR 107.A O no hydrogen 3.970 N/A SER 110.A OG ASP 319.A OD1 no hydrogen 2.686 N/A SER 110.A OG ASP 319.A OD2 no hydrogen 3.405 N/A ARG 113.A N GLU 190.A OE2 no hydrogen 2.784 N/A ARG 113.A NE GLU 190.A OE1 no hydrogen 3.313 N/A ARG 113.A NE GLU 190.A OE2 no hydrogen 2.787 N/A ARG 113.A NH2 LYS 185.A O no hydrogen 3.032 N/A ARG 113.A NH2 GLU 190.A OE1 no hydrogen 2.751 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.812 N/A VAL 116.A N ARG 113.A O no hydrogen 3.010 N/A GLU 118.A N TRP 114.A O no hydrogen 2.876 N/A ALA 119.A N GLU 115.A O no hydrogen 2.801 N/A LEU 120.A N VAL 116.A O no hydrogen 2.833 N/A GLU 121.A N MET 117.A O no hydrogen 2.990 N/A LYS 122.A N GLU 118.A O no hydrogen 2.996 N/A LYS 122.A NZ VAL 179.A O no hydrogen 2.574 N/A LEU 123.A N ALA 119.A O no hydrogen 2.975 N/A LEU 124.A N LEU 120.A O no hydrogen 2.961 N/A ASN 125.A N GLU 121.A O no hydrogen 3.033 N/A ASN 125.A ND2 VAL 43.A O no hydrogen 3.150 N/A SER 126.A N LYS 122.A O no hydrogen 2.938 N/A SER 126.A OG LYS 122.A O no hydrogen 2.657 N/A ASN 127.A N LEU 124.A O no hydrogen 3.276 N/A ASN 127.A ND2 HIS 39.A ND1 no hydrogen 2.977 N/A VAL 128.A N LEU 123.A O no hydrogen 2.981 N/A SER 129.A N ARG 163.A O no hydrogen 3.064 N/A LYS 131.A N ILE 161.A O no hydrogen 2.803 N/A LYS 131.A NZ GLU 169.A OE1 no hydrogen 3.186 N/A LYS 131.A NZ GLU 169.A OE2 no hydrogen 3.335 N/A SER 137.A OG SER 139.A OG no hydrogen 3.291 N/A SER 137.A OG ASP 143.A OD1 no hydrogen 2.577 N/A SER 139.A N SER 137.A OG no hydrogen 2.961 N/A SER 139.A OG SER 137.A OG no hydrogen 3.291 N/A SER 139.A OG ASP 143.A OD1 no hydrogen 2.737 N/A ALA 140.A N GLY 142.A O no hydrogen 3.325 N/A ASP 143.A N GLY 197.A O no hydrogen 2.756 N/A LEU 147.A N ASP 143.A O no hydrogen 2.925 N/A ALA 148.A N LEU 144.A O no hydrogen 2.862 N/A TYR 149.A N PRO 146.A O no hydrogen 3.143 N/A ILE 150.A N LEU 147.A O no hydrogen 3.130 N/A ALA 151.A N LEU 147.A O no hydrogen 3.228 N/A GLY 152.A N ALA 148.A O no hydrogen 2.796 N/A LEU 153.A N TYR 149.A O no hydrogen 3.063 N/A LEU 154.A N ILE 150.A O no hydrogen 3.114 N/A ILE 155.A N ALA 151.A O no hydrogen 3.119 N/A GLY 156.A N LEU 153.A O no hydrogen 2.966 N/A LYS 157.A N GLY 152.A O no hydrogen 2.891 N/A VAL 160.A N LYS 157.A O no hydrogen 3.171 N/A ALA 162.A N VAL 170.A O no hydrogen 2.841 N/A ARG 163.A N SER 129.A O no hydrogen 2.718 N/A ARG 163.A NH1 GLU 88.A OE1 no hydrogen 3.511 N/A ARG 163.A NH2 GLU 88.A OE1 no hydrogen 3.182 N/A ILE 164.A N VAL 168.A O no hydrogen 2.723 N/A GLY 165.A N ASN 127.A O no hydrogen 3.107 N/A VAL 170.A N ALA 162.A O no hydrogen 2.922 N/A ALA 172.A N VAL 160.A O no hydrogen 2.861 N/A ALA 175.A N PRO 171.A O no hydrogen 3.155 N/A LEU 176.A N ALA 172.A O no hydrogen 3.046 N/A SER 177.A N PRO 173.A O no hydrogen 3.089 N/A ARG 178.A N GLU 174.A O no hydrogen 3.031 N/A ARG 178.A NE GLU 174.A OE2 no hydrogen 2.920 N/A ARG 178.A NH2 GLU 174.A OE2 no hydrogen 2.806 N/A VAL 179.A N LEU 176.A O no hydrogen 3.129 N/A GLY 180.A N SER 177.A O no hydrogen 3.217 N/A LEU 181.A N LEU 176.A O no hydrogen 2.847 N/A PHE 184.A N LEU 154.A O no hydrogen 2.827 N/A GLN 187.A N GLU 190.A OE1 no hydrogen 2.759 N/A GLN 187.A NE2 LYS 185.A O no hydrogen 3.321 N/A LYS 189.A NZ SER 110.A O no hydrogen 2.896 N/A LYS 189.A NZ ASP 319.A OD2 no hydrogen 2.554 N/A LYS 189.A NZ PRO 321.A O no hydrogen 2.735 N/A GLU 190.A N GLN 187.A O no hydrogen 3.000 N/A GLY 191.A N GLN 73.A OE1 no hydrogen 2.674 N/A ALA 193.A N LYS 189.A O no hydrogen 2.999 N/A LEU 194.A N GLU 190.A O no hydrogen 3.106 N/A VAL 195.A N GLY 191.A O no hydrogen 3.130 N/A ALA 196.A N LEU 192.A O no hydrogen 2.928 N/A THR 198.A N ASN 318.A OD1 no hydrogen 3.097 N/A THR 198.A OG1 GLU 313.A OE2 no hydrogen 2.612 N/A ALA 201.A N ASP 143.A OD2 no hydrogen 2.882 N/A THR 202.A N THR 198.A O no hydrogen 2.967 N/A THR 202.A OG1 THR 198.A O no hydrogen 2.584 N/A ALA 203.A N SER 199.A O no hydrogen 2.864 N/A VAL 204.A N PHE 200.A O no hydrogen 3.106 N/A ALA 205.A N ALA 201.A O no hydrogen 2.899 N/A SER 206.A N THR 202.A O no hydrogen 2.965 N/A SER 206.A N ALA 203.A O no hydrogen 3.173 N/A SER 206.A OG THR 202.A O no hydrogen 2.829 N/A THR 207.A N ALA 203.A O no hydrogen 3.318 N/A THR 207.A OG1 ALA 203.A O no hydrogen 3.311 N/A THR 207.A OG1 VAL 204.A O no hydrogen 3.124 N/A VAL 208.A N VAL 204.A O no hydrogen 2.874 N/A MET 209.A N ALA 205.A O no hydrogen 2.858 N/A TYR 210.A N SER 206.A O no hydrogen 2.872 N/A ASP 211.A N THR 207.A O no hydrogen 3.011 N/A ALA 212.A N VAL 208.A O no hydrogen 2.793 N/A ASN 213.A N MET 209.A O no hydrogen 3.041 N/A ASN 213.A ND2 MET 209.A O no hydrogen 2.805 N/A ASN 213.A ND2 THR 307.A OG1 no hydrogen 2.956 N/A VAL 214.A N TYR 210.A O no hydrogen 3.273 N/A LEU 215.A N ASP 211.A O no hydrogen 2.957 N/A LEU 216.A N ALA 212.A O no hydrogen 2.892 N/A LEU 217.A N ASN 213.A O no hydrogen 2.947 N/A LEU 218.A N VAL 214.A O no hydrogen 2.949 N/A VAL 219.A N LEU 215.A O no hydrogen 2.769 N/A GLU 220.A N LEU 216.A O no hydrogen 2.906 N/A THR 221.A N LEU 217.A O no hydrogen 2.929 N/A THR 221.A OG1 LEU 217.A O no hydrogen 2.894 N/A LEU 222.A N LEU 218.A O no hydrogen 2.980 N/A CYS 223.A N VAL 219.A O no hydrogen 3.166 N/A CYS 223.A N GLU 220.A O no hydrogen 3.259 N/A CYS 223.A SG VAL 219.A O no hydrogen 3.338 N/A GLY 224.A N THR 221.A O no hydrogen 2.985 N/A PHE 226.A N LEU 222.A O no hydrogen 2.926 N/A CYS 227.A N CYS 223.A O no hydrogen 2.964 N/A GLU 228.A N GLY 224.A O no hydrogen 3.046 N/A VAL 229.A N MET 225.A O no hydrogen 3.011 N/A ILE 230.A N PHE 226.A O no hydrogen 2.820 N/A GLY 232.A N CYS 227.A O no hydrogen 2.914 N/A ARG 233.A N ASP 285.A OD2 no hydrogen 2.692 N/A ARG 233.A NE ASP 285.A OD1 no hydrogen 3.102 N/A ARG 233.A NH1 PRO 282.A O no hydrogen 3.046 N/A ARG 233.A NH2 PRO 282.A O no hydrogen 3.486 N/A ARG 233.A NH2 ASP 285.A OD1 no hydrogen 2.756 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.732 N/A PHE 236.A N ARG 233.A O no hydrogen 3.480 N/A ALA 237.A N GLU 234.A O no hydrogen 3.026 N/A HIS 238.A N GLU 235.A O no hydrogen 3.238 N/A LEU 240.A N HIS 238.A ND1 no hydrogen 3.149 N/A HIS 242.A NE2 PHE 236.A O no hydrogen 2.719 N/A LYS 243.A N PRO 239.A O no hydrogen 2.817 N/A VAL 244.A N LEU 240.A O no hydrogen 3.161 N/A LYS 245.A N HIS 242.A O no hydrogen 3.277 N/A HIS 247.A N LYS 245.A O no hydrogen 2.895 N/A GLY 249.A N GLN 301.A OE1 no hydrogen 2.878 N/A GLN 250.A N HIS 247.A O no hydrogen 2.835 N/A GLN 250.A NE2 HIS 242.A ND1 no hydrogen 3.025 N/A ILE 251.A N HIS 247.A O no hydrogen 2.972 N/A GLU 252.A N PRO 248.A O no hydrogen 2.956 N/A SER 253.A N GLY 249.A O no hydrogen 3.180 N/A SER 253.A OG GLY 249.A O no hydrogen 2.839 N/A SER 253.A OG GLN 250.A O no hydrogen 3.374 N/A ALA 254.A N GLN 250.A O no hydrogen 3.109 N/A GLU 255.A N ILE 251.A O no hydrogen 2.834 N/A LEU 256.A N GLU 252.A O no hydrogen 3.192 N/A LEU 257.A N SER 253.A O no hydrogen 3.035 N/A GLU 258.A N ALA 254.A O no hydrogen 2.818 N/A TRP 259.A N GLU 255.A O no hydrogen 3.211 N/A LEU 260.A N LEU 256.A O no hydrogen 2.839 N/A LEU 261.A N LEU 257.A O no hydrogen 3.044 N/A LEU 261.A N GLU 258.A O no hydrogen 3.348 N/A ARG 262.A NE GLU 258.A OE2 no hydrogen 3.163 N/A ARG 262.A NH2 GLU 258.A OE1 no hydrogen 3.073 N/A SER 264.A N LEU 261.A O no hydrogen 3.150 N/A SER 264.A OG GLU 228.A OE2 no hydrogen 2.346 N/A PHE 266.A N SER 264.A OG no hydrogen 3.210 N/A GLN 267.A N SER 264.A OG no hydrogen 3.253 N/A GLN 267.A NE2 GLY 232.A O no hydrogen 2.863 N/A GLN 267.A NE2 GLU 234.A OE1 no hydrogen 2.693 N/A GLU 268.A N SER 264.A O no hydrogen 3.141 N/A LEU 269.A N PRO 265.A O no hydrogen 3.258 N/A SER 270.A N PHE 266.A O no hydrogen 2.812 N/A SER 270.A OG GLY 232.A O no hydrogen 2.926 N/A ARG 271.A N GLN 267.A O no hydrogen 2.941 N/A GLU 272.A N GLU 268.A O no hydrogen 3.216 N/A TYR 273.A N LEU 269.A O no hydrogen 3.013 N/A TYR 274.A N SER 270.A O no hydrogen 3.054 N/A TYR 274.A OH PHE 231.A O no hydrogen 2.713 N/A SER 275.A N ARG 271.A O no hydrogen 3.073 N/A SER 275.A OG GLU 272.A O no hydrogen 2.655 N/A ILE 276.A N TYR 273.A O no hydrogen 3.229 N/A LYS 280.A N ASP 277.A O no hydrogen 2.887 N/A LYS 281.A N LYS 278.A O no hydrogen 3.392 N/A LYS 281.A NZ TYR 273.A O no hydrogen 2.799 N/A LYS 281.A NZ ILE 276.A O no hydrogen 2.718 N/A ARG 290.A N ARG 286.A O no hydrogen 3.102 N/A ARG 290.A NE ASP 285.A O no hydrogen 2.752 N/A ARG 290.A NH2 ASP 285.A O no hydrogen 2.990 N/A SER 291.A N TYR 287.A O no hydrogen 2.924 N/A SER 291.A OG TYR 287.A O no hydrogen 3.011 N/A SER 292.A N LEU 289.A O no hydrogen 3.006 N/A SER 292.A OG LEU 289.A O no hydrogen 2.661 N/A GLN 294.A N GLN 294.A OE1 no hydrogen 2.904 N/A TRP 295.A N SER 291.A O no hydrogen 2.918 N/A TRP 295.A NE1 GLY 354.A O no hydrogen 2.894 N/A LEU 296.A N SER 292.A O no hydrogen 2.731 N/A ALA 297.A N PRO 293.A O no hydrogen 3.093 N/A VAL 300.A N LEU 296.A O no hydrogen 2.818 N/A GLN 301.A N ALA 297.A O no hydrogen 3.148 N/A THR 302.A N PRO 298.A O no hydrogen 2.902 N/A THR 302.A OG1 PRO 298.A O no hydrogen 2.601 N/A ILE 303.A N LEU 299.A O no hydrogen 3.023 N/A ARG 304.A N VAL 300.A O no hydrogen 2.961 N/A ARG 304.A NH1 ASN 213.A OD1 no hydrogen 2.731 N/A ASP 305.A N GLN 301.A O no hydrogen 2.957 N/A ALA 306.A N THR 302.A O no hydrogen 2.966 N/A THR 307.A N ILE 303.A O no hydrogen 3.170 N/A THR 307.A OG1 ILE 303.A O no hydrogen 2.746 N/A THR 308.A N ARG 304.A O no hydrogen 3.261 N/A THR 308.A OG1 ARG 304.A O no hydrogen 3.539 N/A THR 309.A N ASP 305.A O no hydrogen 3.166 N/A THR 309.A OG1 ASP 305.A O no hydrogen 3.397 N/A VAL 310.A N ALA 306.A O no hydrogen 2.845 N/A GLU 311.A N THR 307.A O no hydrogen 3.016 N/A THR 312.A N THR 308.A O no hydrogen 2.964 N/A THR 312.A OG1 THR 308.A O no hydrogen 3.168 N/A GLU 313.A N THR 309.A O no hydrogen 3.194 N/A VAL 314.A N VAL 310.A O no hydrogen 2.858 N/A ASN 315.A N GLU 311.A O no hydrogen 3.001 N/A ASN 315.A N THR 312.A O no hydrogen 3.212 N/A ASN 315.A ND2 ILE 27.A O no hydrogen 2.839 N/A ASN 315.A ND2 GLU 311.A O no hydrogen 2.802 N/A SER 316.A OG GLU 313.A O no hydrogen 2.836 N/A ASN 318.A ND2 SER 316.A OG no hydrogen 2.846 N/A ILE 322.A N LEU 331.A O no hydrogen 2.796 N/A ILE 323.A N CYS 109.A O no hydrogen 2.774 N/A ASP 324.A N ARG 329.A O no hydrogen 2.774 N/A HIS 325.A NE2 GLY 108.A O no hydrogen 3.120 N/A ASN 327.A N ASP 324.A O no hydrogen 3.099 N/A ASN 327.A ND2 ASP 324.A OD1 no hydrogen 3.308 N/A ASN 327.A ND2 ASP 324.A OD2 no hydrogen 2.807 N/A ASP 328.A N HIS 325.A O no hydrogen 2.981 N/A ARG 329.A N ASP 324.A O no hydrogen 3.122 N/A LEU 331.A N ILE 322.A O no hydrogen 2.680 N/A HIS 332.A NE2 TYR 70.A O no hydrogen 2.678 N/A GLY 333.A N ASN 320.A OD1 no hydrogen 2.731 N/A ASN 335.A ND2 ALA 317.A O no hydrogen 3.174 N/A GLN 337.A N ALA 334.A O no hydrogen 3.073 N/A GLN 337.A NE2 ILE 426.A O no hydrogen 3.258 N/A GLY 338.A N SER 139.A O no hydrogen 3.007 N/A GLY 342.A N GLY 338.A O no hydrogen 2.881 N/A PHE 343.A N SER 339.A O no hydrogen 2.888 N/A TYR 344.A N ALA 340.A O no hydrogen 3.347 N/A MET 345.A N VAL 341.A O no hydrogen 2.791 N/A ASP 346.A N GLY 342.A O no hydrogen 3.232 N/A TYR 347.A N PHE 343.A O no hydrogen 3.123 N/A VAL 348.A N TYR 344.A O no hydrogen 2.868 N/A ARG 349.A N MET 345.A O no hydrogen 2.982 N/A ARG 349.A NE LEU 408.A O no hydrogen 2.862 N/A ARG 349.A NH1 ASP 346.A OD1 no hydrogen 3.552 N/A ARG 349.A NH1 SER 433.A OG no hydrogen 3.013 N/A ARG 349.A NH1 THR 437.A OG1 no hydrogen 2.976 N/A ARG 349.A NH2 ASP 346.A OD1 no hydrogen 2.844 N/A ARG 349.A NH2 ASN 410.A O no hydrogen 2.747 N/A ILE 350.A N ASP 346.A O no hydrogen 3.196 N/A ALA 351.A N TYR 347.A O no hydrogen 3.007 N/A VAL 352.A N VAL 348.A O no hydrogen 2.772 N/A ALA 353.A N ARG 349.A O no hydrogen 3.077 N/A GLY 354.A N ILE 350.A O no hydrogen 2.978 N/A LEU 355.A N ALA 351.A O no hydrogen 2.883 N/A GLY 356.A N VAL 352.A O no hydrogen 2.865 N/A LYS 357.A N ALA 353.A O no hydrogen 2.936 N/A LEU 358.A N GLY 354.A O no hydrogen 3.127 N/A LEU 359.A N LEU 355.A O no hydrogen 3.113 N/A PHE 360.A N GLY 356.A O no hydrogen 2.927 N/A ALA 361.A N LYS 357.A O no hydrogen 2.966 N/A GLN 362.A N LEU 358.A O no hydrogen 3.025 N/A GLN 362.A NE2 ALA 288.A O no hydrogen 3.075 N/A PHE 363.A N LEU 359.A O no hydrogen 2.901 N/A THR 364.A N PHE 360.A O no hydrogen 2.969 N/A THR 364.A OG1 PHE 360.A O no hydrogen 2.762 N/A GLU 365.A N ALA 361.A O no hydrogen 3.167 N/A LEU 366.A N GLN 362.A O no hydrogen 3.230 N/A MET 367.A N PHE 363.A O no hydrogen 3.181 N/A MET 367.A N THR 364.A O no hydrogen 3.205 N/A ILE 368.A N GLU 365.A O no hydrogen 3.371 N/A GLU 369.A N GLU 369.A OE1 no hydrogen 2.679 N/A TYR 371.A N ILE 368.A O no hydrogen 2.947 N/A SER 372.A N GLU 369.A O no hydrogen 3.409 N/A SER 372.A OG ILE 368.A O no hydrogen 3.279 N/A SER 372.A OG LEU 375.A O no hydrogen 3.093 N/A ASN 373.A ND2 ILE 230.A O no hydrogen 2.641 N/A ASN 378.A N MET 367.A O no hydrogen 2.876 N/A LEU 379.A N PRO 376.A O no hydrogen 3.086 N/A SER 380.A N GLY 377.A O no hydrogen 3.090 N/A SER 380.A OG GLY 377.A O no hydrogen 3.322 N/A SER 380.A OG ASP 388.A O no hydrogen 2.955 N/A GLY 382.A N ASP 388.A OD2 no hydrogen 2.995 N/A LEU 385.A N GLU 507.A OE2 no hydrogen 3.221 N/A SER 386.A N ASP 384.A OD1 no hydrogen 3.213 N/A SER 386.A OG ASP 384.A OD1 no hydrogen 2.686 N/A ASP 388.A N LEU 385.A O no hydrogen 3.193 N/A GLY 390.A N ASP 388.A OD1 no hydrogen 2.894 N/A LEU 391.A N ASN 378.A O no hydrogen 2.781 N/A LYS 392.A N TYR 389.A O no hydrogen 3.082 N/A LYS 392.A NZ ASN 378.A OD1 no hydrogen 3.264 N/A ASP 395.A N LEU 391.A O no hydrogen 2.853 N/A ILE 396.A N LYS 392.A O no hydrogen 2.960 N/A ALA 397.A N GLY 393.A O no hydrogen 3.108 N/A MET 398.A N LEU 394.A O no hydrogen 2.975 N/A ALA 399.A N ASP 395.A O no hydrogen 3.386 N/A ALA 400.A N ILE 396.A O no hydrogen 3.095 N/A TYR 401.A N ALA 397.A O no hydrogen 2.826 N/A SER 402.A N MET 398.A O no hydrogen 2.978 N/A SER 403.A N ALA 399.A O no hydrogen 2.941 N/A SER 403.A OG ALA 399.A O no hydrogen 2.765 N/A GLU 404.A N ALA 400.A O no hydrogen 3.255 N/A LEU 405.A N TYR 401.A O no hydrogen 2.912 N/A GLN 406.A N SER 402.A O no hydrogen 2.853 N/A GLN 406.A NE2 ALA 353.A O no hydrogen 2.984 N/A GLN 406.A NE2 SER 402.A O no hydrogen 3.601 N/A TYR 407.A N SER 403.A O no hydrogen 3.182 N/A LEU 408.A N GLU 404.A O no hydrogen 2.879 N/A ALA 409.A N LEU 405.A O no hydrogen 3.221 N/A ALA 409.A N GLN 406.A O no hydrogen 3.291 N/A ASN 410.A N TYR 407.A O no hydrogen 3.451 N/A VAL 412.A N ASP 346.A OD1 no hydrogen 2.951 N/A THR 413.A N ASP 346.A OD2 no hydrogen 2.966 N/A THR 413.A OG1 ASP 346.A OD2 no hydrogen 2.684 N/A HIS 415.A N VAL 412.A O no hydrogen 2.878 N/A HIS 417.A ND1 HIS 415.A O no hydrogen 2.779 N/A SER 418.A OG HIS 422.A ND1 no hydrogen 2.645 N/A ALA 419.A N GLN 424.A O no hydrogen 3.106 N/A HIS 422.A ND1 SER 418.A OG no hydrogen 2.645 N/A ASN 423.A N GLU 420.A O no hydrogen 2.843 N/A ASN 423.A ND2 GLU 420.A OE2 no hydrogen 2.947 N/A GLN 424.A N ALA 419.A O no hydrogen 2.980 N/A GLN 424.A NE2 GLU 420.A OE1 no hydrogen 2.756 N/A ASN 427.A ND2 HIS 417.A O no hydrogen 2.825 N/A ASN 427.A ND2 GLN 424.A O no hydrogen 3.073 N/A SER 428.A OG SER 139.A O no hydrogen 2.754 N/A LEU 429.A N VAL 138.A O no hydrogen 2.888 N/A ALA 430.A N SER 428.A OG no hydrogen 3.207 N/A LEU 431.A N SER 139.A OG no hydrogen 3.000 N/A SER 433.A N LEU 429.A O no hydrogen 3.038 N/A SER 433.A OG ASP 346.A OD1 no hydrogen 2.674 N/A ALA 434.A N ALA 430.A O no hydrogen 2.837 N/A ARG 435.A N LEU 431.A O no hydrogen 2.912 N/A LYS 436.A N ILE 432.A O no hydrogen 3.089 N/A THR 437.A N SER 433.A O no hydrogen 2.938 N/A THR 437.A OG1 MET 345.A O no hydrogen 2.803 N/A THR 437.A OG1 SER 433.A O no hydrogen 3.232 N/A GLU 438.A N ALA 434.A O no hydrogen 2.884 N/A GLU 439.A N ARG 435.A O no hydrogen 2.936 N/A ALA 440.A N LYS 436.A O no hydrogen 2.855 N/A LEU 441.A N THR 437.A O no hydrogen 2.806 N/A ASP 442.A N GLU 438.A O no hydrogen 2.937 N/A ILE 443.A N GLU 439.A O no hydrogen 3.293 N/A LEU 444.A N ALA 440.A O no hydrogen 3.081 N/A LYS 445.A N LEU 441.A O no hydrogen 2.996 N/A LYS 445.A NZ ASP 211.A OD2 no hydrogen 3.491 N/A LEU 446.A N ASP 442.A O no hydrogen 3.262 N/A MET 447.A N ILE 443.A O no hydrogen 3.008 N/A ILE 448.A N LEU 444.A O no hydrogen 2.851 N/A ALA 449.A N LYS 445.A O no hydrogen 2.920 N/A SER 450.A N LEU 446.A O no hydrogen 2.996 N/A SER 450.A OG LEU 446.A O no hydrogen 3.302 N/A HIS 451.A N MET 447.A O no hydrogen 2.844 N/A HIS 451.A NE2 GLN 362.A OE1 no hydrogen 2.915 N/A LEU 452.A N ILE 448.A O no hydrogen 2.851 N/A THR 453.A N ALA 449.A O no hydrogen 3.116 N/A THR 453.A OG1 ALA 449.A O no hydrogen 2.932 N/A ALA 454.A N SER 450.A O no hydrogen 2.962 N/A MET 455.A N HIS 451.A O no hydrogen 2.959 N/A CYS 456.A N LEU 452.A O no hydrogen 3.033 N/A CYS 456.A SG LEU 452.A O no hydrogen 3.466 N/A GLN 457.A N THR 453.A O no hydrogen 3.030 N/A GLN 457.A NE2 LEU 379.A O no hydrogen 2.895 N/A GLN 457.A NE2 MET 588.A O no hydrogen 3.271 N/A ALA 458.A N ALA 454.A O no hydrogen 2.945 N/A VAL 459.A N MET 455.A O no hydrogen 2.801 N/A ASP 460.A N CYS 456.A O no hydrogen 3.116 N/A LEU 461.A N GLN 457.A O no hydrogen 3.004 N/A ARG 462.A N ALA 458.A O no hydrogen 2.819 N/A ARG 462.A NE VAL 229.A O no hydrogen 2.784 N/A ARG 462.A NH1 ASN 373.A O no hydrogen 2.953 N/A ARG 462.A NH1 GLU 465.A OE1 no hydrogen 3.006 N/A ARG 462.A NH2 VAL 229.A O no hydrogen 2.907 N/A ARG 462.A NH2 SER 372.A O no hydrogen 2.800 N/A ARG 462.A NH2 ASN 373.A O no hydrogen 3.376 N/A GLN 463.A N VAL 459.A O no hydrogen 2.947 N/A GLN 463.A NE2 TYR 562.A OH no hydrogen 2.730 N/A LEU 464.A N ASP 460.A O no hydrogen 2.783 N/A GLU 465.A N LEU 461.A O no hydrogen 2.849 N/A GLU 466.A N ARG 462.A O no hydrogen 3.151 N/A ALA 467.A N GLN 463.A O no hydrogen 3.305 N/A LEU 468.A N LEU 464.A O no hydrogen 2.926 N/A VAL 469.A N GLU 465.A O no hydrogen 2.961 N/A LYS 470.A N GLU 466.A O no hydrogen 3.267 N/A VAL 471.A N ALA 467.A O no hydrogen 3.167 N/A VAL 472.A N LEU 468.A O no hydrogen 3.054 N/A GLU 473.A N VAL 469.A O no hydrogen 2.832 N/A ASN 474.A N LYS 470.A O no hydrogen 2.965 N/A VAL 475.A N VAL 471.A O no hydrogen 2.797 N/A VAL 476.A N VAL 472.A O no hydrogen 2.862 N/A SER 477.A N GLU 473.A O no hydrogen 2.778 N/A THR 478.A N ASN 474.A O no hydrogen 2.987 N/A THR 478.A OG1 ASN 474.A O no hydrogen 2.805 N/A THR 478.A OG1 VAL 475.A O no hydrogen 3.515 N/A LEU 479.A N VAL 475.A O no hydrogen 3.073 N/A ALA 480.A N VAL 476.A O no hydrogen 2.951 N/A ASP 481.A N SER 477.A O no hydrogen 3.401 N/A GLU 482.A N THR 478.A O no hydrogen 3.043 N/A CYS 483.A N LEU 479.A O no hydrogen 2.951 N/A CYS 483.A SG LEU 479.A O no hydrogen 3.161 N/A GLY 484.A N ASP 481.A O no hydrogen 2.874 N/A LEU 485.A N ALA 480.A O no hydrogen 3.019 N/A THR 489.A OG1 ASP 488.A OD2 no hydrogen 3.402 N/A THR 489.A OG1 THR 527.A OG1 no hydrogen 3.126 N/A LYS 490.A N PRO 486.A O no hydrogen 2.976 N/A ALA 491.A N ASN 487.A O no hydrogen 3.092 N/A ARG 492.A N ASP 488.A O no hydrogen 3.131 N/A ARG 492.A NH2 ASP 488.A OD1 no hydrogen 2.933 N/A LEU 493.A N THR 489.A O no hydrogen 2.815 N/A LEU 494.A N LYS 490.A O no hydrogen 2.802 N/A TYR 495.A N ALA 491.A O no hydrogen 2.863 N/A TYR 495.A OH ASP 277.A OD1 no hydrogen 2.728 N/A VAL 496.A N ARG 492.A O no hydrogen 3.390 N/A ALA 497.A N LEU 493.A O no hydrogen 3.204 N/A LYS 498.A N LEU 494.A O no hydrogen 2.941 N/A ALA 499.A N TYR 495.A O no hydrogen 2.799 N/A VAL 500.A N VAL 496.A O no hydrogen 3.036 N/A TYR 503.A OH LEU 461.A O no hydrogen 2.715 N/A THR 504.A N PRO 501.A O no hydrogen 3.030 N/A THR 504.A OG1 PRO 501.A O no hydrogen 2.692 N/A TYR 505.A N VAL 502.A O no hydrogen 3.137 N/A LEU 506.A N VAL 502.A O no hydrogen 3.004 N/A SER 508.A N TYR 505.A O no hydrogen 3.123 N/A ASP 511.A N SER 508.A O no hydrogen 2.900 N/A THR 513.A N ASP 511.A OD1 no hydrogen 2.948 N/A THR 513.A OG1 ASP 511.A OD1 no hydrogen 2.606 N/A LEU 514.A N ASP 511.A O no hydrogen 3.211 N/A LEU 518.A N LEU 514.A O no hydrogen 3.069 N/A GLY 519.A N PRO 515.A O no hydrogen 3.101 N/A LEU 520.A N LEU 516.A O no hydrogen 3.031 N/A LYS 521.A N LEU 517.A O no hydrogen 2.842 N/A LYS 521.A NZ GLU 544.A OE1 no hydrogen 3.491 N/A LYS 521.A NZ GLU 544.A OE2 no hydrogen 2.959 N/A GLN 522.A N LEU 518.A O no hydrogen 3.134 N/A SER 523.A N GLY 519.A O no hydrogen 3.165 N/A SER 523.A OG GLY 519.A O no hydrogen 3.435 N/A SER 523.A OG GLN 522.A OE1 no hydrogen 3.267 N/A CYS 524.A N LEU 520.A O no hydrogen 2.845 N/A CYS 524.A SG LEU 520.A O no hydrogen 3.320 N/A PHE 525.A N LYS 521.A O no hydrogen 3.139 N/A ASP 526.A N GLN 522.A O no hydrogen 3.166 N/A THR 527.A N SER 523.A O no hydrogen 2.996 N/A THR 527.A OG1 ASP 488.A OD2 no hydrogen 2.859 N/A THR 527.A OG1 THR 489.A OG1 no hydrogen 3.126 N/A ILE 528.A N CYS 524.A O no hydrogen 3.116 N/A LEU 529.A N PHE 525.A O no hydrogen 3.160 N/A ALA 530.A N ASP 526.A O no hydrogen 2.950 N/A LEU 531.A N THR 527.A O no hydrogen 3.071 N/A HIS 532.A N ILE 528.A O no hydrogen 3.146 N/A VAL 537.A N THR 533.A O no hydrogen 3.032 N/A ASP 538.A N ASP 534.A O no hydrogen 3.202 N/A ARG 539.A N THR 535.A O no hydrogen 3.065 N/A ARG 539.A NH1 GLY 484.A O no hydrogen 2.974 N/A LEU 540.A N LEU 536.A O no hydrogen 3.002 N/A ALA 541.A N VAL 537.A O no hydrogen 2.869 N/A GLU 542.A N ASP 538.A O no hydrogen 3.032 N/A PHE 543.A N ARG 539.A O no hydrogen 2.793 N/A GLU 544.A N LEU 540.A O no hydrogen 3.146 N/A LYS 545.A N ALA 541.A O no hydrogen 3.129 N/A ARG 546.A N GLU 542.A O no hydrogen 2.950 N/A LEU 547.A N GLU 544.A O no hydrogen 3.237 N/A SER 548.A OG LYS 545.A O no hydrogen 3.220 N/A ASP 549.A N ARG 546.A O no hydrogen 3.451 N/A ARG 550.A N LEU 547.A O no hydrogen 3.482 N/A LEU 551.A N LEU 547.A O no hydrogen 3.161 N/A GLU 554.A N ARG 550.A O no hydrogen 3.053 N/A MET 555.A N LEU 551.A O no hydrogen 2.981 N/A THR 556.A N GLU 552.A O no hydrogen 2.806 N/A THR 556.A OG1 GLU 552.A O no hydrogen 3.119 N/A ALA 557.A N ASN 553.A O no hydrogen 2.912 N/A VAL 558.A N GLU 554.A O no hydrogen 3.097 N/A ARG 559.A N MET 555.A O no hydrogen 3.116 N/A ARG 559.A NH1 GLU 563.A OE2 no hydrogen 3.049 N/A VAL 560.A N THR 556.A O no hydrogen 2.786 N/A LEU 561.A N ALA 557.A O no hydrogen 2.941 N/A TYR 562.A N VAL 558.A O no hydrogen 3.082 N/A TYR 562.A OH ASP 460.A OD1 no hydrogen 2.654 N/A GLU 563.A N ARG 559.A O no hydrogen 2.865 N/A LYS 564.A N VAL 560.A O no hydrogen 3.138 N/A ARG 566.A NE PRO 265.A O no hydrogen 3.094 N/A ARG 566.A NH1 GLU 466.A OE1 no hydrogen 3.457 N/A ARG 566.A NH1 GLU 466.A OE2 no hydrogen 2.794 N/A ARG 566.A NH2 PRO 265.A O no hydrogen 2.974 N/A ARG 566.A NH2 GLU 268.A OE2 no hydrogen 2.822 N/A ILE 567.A N GLN 463.A OE1 no hydrogen 2.783 N/A GLN 568.A N VAL 565.A O no hydrogen 3.218 N/A GLY 569.A N ARG 566.A O no hydrogen 3.168 N/A SER 570.A N ILE 567.A O no hydrogen 3.057 N/A SER 570.A OG GLU 228.A OE1 no hydrogen 2.689 N/A SER 570.A OG GLU 228.A OE2 no hydrogen 3.329 N/A PHE 572.A N SER 570.A OG no hydrogen 3.140 N/A LEU 573.A N SER 570.A O no hydrogen 3.048 N/A TYR 576.A N PHE 572.A O no hydrogen 3.060 N/A TYR 576.A OH ASP 460.A OD1 no hydrogen 2.600 N/A ARG 577.A N LEU 573.A O no hydrogen 2.698 N/A PHE 578.A N PRO 574.A O no hydrogen 2.893 N/A VAL 579.A N PHE 575.A O no hydrogen 2.993 N/A ARG 580.A N TYR 576.A O no hydrogen 2.852 N/A ARG 580.A NE ASP 460.A OD2 no hydrogen 2.770 N/A ARG 580.A NH1 THR 585.A OG1 no hydrogen 2.898 N/A ARG 580.A NH2 ASP 460.A OD2 no hydrogen 2.942 N/A GLU 581.A N ARG 577.A O no hydrogen 2.770 N/A GLU 582.A N ARG 577.A O no hydrogen 3.220 N/A LEU 583.A N PHE 578.A O no hydrogen 2.848 N/A ASP 584.A N GLU 581.A O no hydrogen 3.212 N/A THR 585.A N ARG 580.A O no hydrogen 2.910 N/A THR 585.A OG1 VAL 579.A O no hydrogen 2.519 N/A MET 588.A N GLN 457.A OE1 no hydrogen 2.882 N/A ARG 591.A N SER 589.A OG no hydrogen 3.299 N/A ARG 591.A NE GLU 563.A OE1 no hydrogen 2.606 N/A ARG 591.A NH1 GLY 382.A O no hydrogen 3.093 N/A ARG 591.A NH2 GLY 382.A O no hydrogen 2.936 N/A ARG 591.A NH2 GLU 563.A OE1 no hydrogen 3.126 N/A ARG 591.A NH2 GLU 563.A OE2 no hydrogen 2.982 N/A ARG 592.A N SER 589.A O no hydrogen 3.252 N/A ARG 592.A NE ASP 599.A OD2 no hydrogen 3.292 N/A ARG 592.A NH2 ASP 599.A OD1 no hydrogen 2.839 N/A ARG 592.A NH2 ASP 599.A OD2 no hydrogen 3.548 N/A GLN 594.A N GLN 594.A OE1 no hydrogen 2.698 N/A THR 595.A N GLU 598.A OE1 no hydrogen 3.005 N/A THR 595.A OG1 GLU 598.A OE1 no hydrogen 3.386 N/A GLU 598.A N THR 595.A OG1 no hydrogen 3.226 N/A ASP 599.A N THR 595.A O no hydrogen 3.276 N/A VAL 600.A N PRO 596.A O no hydrogen 2.789 N/A GLN 601.A N GLN 597.A O no hydrogen 2.676 N/A GLN 601.A NE2 GLN 601.A O no hydrogen 3.688 N/A GLN 601.A NE2 ASP 605.A OD1 no hydrogen 2.829 N/A GLN 601.A NE2 ASP 605.A OD2 no hydrogen 3.468 N/A LYS 602.A N GLU 598.A O no hydrogen 3.430 N/A LYS 602.A NZ LEU 583.A O no hydrogen 3.159 N/A LYS 602.A NZ ASP 584.A O no hydrogen 3.068 N/A VAL 603.A N ASP 599.A O no hydrogen 3.463 N/A PHE 604.A N VAL 600.A O no hydrogen 2.784 N/A ASP 605.A N GLN 601.A O no hydrogen 2.916 N/A ALA 606.A N LYS 602.A O no hydrogen 3.213 N/A ILE 607.A N VAL 603.A O no hydrogen 3.027 N/A ALA 608.A N PHE 604.A O no hydrogen 2.811 N/A ASP 609.A N ASP 605.A O no hydrogen 2.901 N/A GLY 610.A N ILE 607.A O no hydrogen 3.388 N/A ARG 611.A N ASP 609.A OD1 no hydrogen 3.081 N/A ARG 611.A NH1 ASP 609.A OD2 no hydrogen 2.793 N/A ILE 612.A N ALA 606.A O no hydrogen 3.018 N/A THR 613.A N GLY 610.A O no hydrogen 3.032 N/A THR 613.A OG1 GLY 610.A O no hydrogen 2.778 N/A VAL 614.A N ARG 611.A O no hydrogen 3.060 N/A LEU 616.A N ILE 612.A O no hydrogen 3.291 N/A LEU 617.A N THR 613.A O no hydrogen 2.833 N/A HIS 618.A N VAL 614.A O no hydrogen 3.101 N/A CYS 619.A N PRO 615.A O no hydrogen 2.893 N/A CYS 619.A SG LYS 571.A O no hydrogen 3.375 N/A LEU 620.A N LEU 616.A O no hydrogen 3.153 N/A GLN 621.A N HIS 618.A O no hydrogen 3.012 N/A PHE 623.A N LEU 620.A O no hydrogen 2.995 N/A