Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1zzd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASN 42.A OD1 no hydrogen 3.008 N/A LYS 6.A NZ ASP 10.A OD2 no hydrogen 3.016 N/A VAL 7.A N GLN 3.A O no hydrogen 2.901 N/A VAL 8.A N PHE 4.A O no hydrogen 2.830 N/A GLU 9.A N SER 5.A O no hydrogen 2.843 N/A ASP 10.A N LYS 6.A O no hydrogen 2.985 N/A LEU 11.A N VAL 7.A O no hydrogen 2.951 N/A TYR 12.A N VAL 8.A O no hydrogen 2.681 N/A TYR 12.A OH ASP 28.A OD2 no hydrogen 2.540 N/A ARG 13.A N GLU 9.A O no hydrogen 2.652 N/A ARG 13.A NE GLU 9.A OE2 no hydrogen 2.751 N/A ARG 13.A NH2 TYR 31.A OH no hydrogen 3.282 N/A TYR 14.A N ASP 10.A O no hydrogen 2.973 N/A ASN 16.A N LYS 21.A O no hydrogen 2.843 N/A THR 19.A N ASN 16.A O no hydrogen 3.233 N/A GLY 20.A N ASN 16.A O no hydrogen 2.853 N/A ALA 23.A N TYR 14.A O no hydrogen 2.882 N/A MET 25.A N LEU 11.A O no hydrogen 3.070 N/A SER 27.A N GLY 119.A O no hydrogen 2.796 N/A SER 27.A OG GLY 119.A O no hydrogen 2.897 N/A VAL 30.A N SER 27.A OG no hydrogen 3.246 N/A TYR 31.A N SER 27.A O no hydrogen 2.700 N/A TYR 31.A OH GLU 9.A OE1 no hydrogen 2.278 N/A TYR 31.A OH GLU 9.A OE2 no hydrogen 3.209 N/A ASN 32.A N ASP 28.A O no hydrogen 2.781 N/A ILE 33.A N ASP 29.A O no hydrogen 3.244 N/A VAL 34.A N VAL 30.A O no hydrogen 2.992 N/A MET 35.A N TYR 31.A O no hydrogen 3.025 N/A GLU 36.A N ASN 32.A O no hydrogen 2.797 N/A ASN 37.A N VAL 34.A O no hydrogen 3.240 N/A LYS 40.A NZ GLU 94.A OE1 no hydrogen 3.306 N/A LEU 41.A N ASN 37.A O no hydrogen 3.136 N/A ASN 42.A N LYS 38.A O no hydrogen 2.754 N/A ASN 42.A ND2 SER 5.A OG no hydrogen 2.621 N/A ASN 42.A ND2 LYS 38.A O no hydrogen 2.548 N/A SER 43.A N ASP 39.A O no hydrogen 2.905 N/A SER 43.A OG ASP 39.A O no hydrogen 2.936 N/A ALA 44.A N LYS 40.A O no hydrogen 3.093 N/A VAL 46.A N TYR 100.A OH no hydrogen 2.873 N/A TYR 47.A OH HIS 79.A NE2 no hydrogen 3.061 N/A ARG 49.A N VAL 46.A O no hydrogen 3.111 N/A ARG 49.A NH1 ASN 101.A OD1 no hydrogen 2.581 N/A ARG 49.A NH1 SER 104.A OG no hydrogen 3.143 N/A ARG 49.A NH2 ASN 101.A OD1 no hydrogen 3.474 N/A ASP 50.A N TYR 47.A O no hydrogen 3.222 N/A GLY 57.A N SER 54.A OG no hydrogen 2.994 N/A PHE 58.A N SER 54.A O no hydrogen 3.027 N/A LYS 59.A N TYR 55.A O no hydrogen 3.052 N/A THR 60.A N GLY 57.A O no hydrogen 3.247 N/A THR 60.A OG1 PHE 56.A O no hydrogen 2.630 N/A THR 60.A OG1 GLY 57.A O no hydrogen 3.418 N/A LEU 61.A N PHE 58.A O no hydrogen 3.033 N/A GLU 62.A N PHE 58.A O no hydrogen 3.082 N/A ARG 63.A N LYS 59.A O no hydrogen 3.093 N/A SER 64.A N THR 60.A O no hydrogen 3.255 N/A SER 64.A N LEU 61.A O no hydrogen 3.191 N/A SER 64.A OG THR 60.A O no hydrogen 3.259 N/A TYR 65.A N LEU 61.A O no hydrogen 2.540 N/A TYR 65.A OH SER 112.A OG no hydrogen 2.472 N/A LEU 66.A N LEU 61.A O no hydrogen 2.971 N/A LEU 67.A N GLU 75.A OE1 no hydrogen 2.820 N/A ARG 68.A NH1 GLY 71.A O no hydrogen 3.346 N/A ARG 68.A NH2 ARG 63.A O no hydrogen 3.354 N/A ILE 69.A N GLN 72.A O no hydrogen 2.774 N/A ALA 74.A N LEU 67.A O no hydrogen 2.774 N/A ARG 76.A N HIS 79.A ND1 no hydrogen 2.801 N/A GLN 78.A NE2 TYR 100.A OH no hydrogen 2.432 N/A HIS 79.A NE2 TYR 47.A OH no hydrogen 3.061 N/A LEU 80.A N ARG 76.A O no hydrogen 3.127 N/A ILE 81.A N PRO 77.A O no hydrogen 3.006 N/A MET 82.A N GLN 78.A O no hydrogen 2.769 N/A ARG 83.A N HIS 79.A O no hydrogen 2.614 N/A ARG 83.A NE GLU 75.A OE2 no hydrogen 2.425 N/A ARG 83.A NH1 LEU 115.A O no hydrogen 3.152 N/A ARG 83.A NH1 ALA 118.A O no hydrogen 2.922 N/A ARG 83.A NH2 GLU 75.A OE1 no hydrogen 2.996 N/A ARG 83.A NH2 LEU 115.A O no hydrogen 3.427 N/A VAL 84.A N LEU 80.A O no hydrogen 2.885 N/A ALA 85.A N ILE 81.A O no hydrogen 2.920 N/A LEU 86.A N MET 82.A O no hydrogen 3.024 N/A GLY 87.A N ARG 83.A O no hydrogen 2.884 N/A ILE 88.A N VAL 84.A O no hydrogen 2.796 N/A HIS 89.A N ALA 85.A O no hydrogen 2.804 N/A HIS 89.A NE2 THR 99.A OG1 no hydrogen 2.728 N/A GLY 90.A N LEU 86.A O no hydrogen 2.695 N/A ASP 92.A N HIS 89.A O no hydrogen 3.102 N/A ILE 93.A N ARG 91.A O no hydrogen 2.994 N/A ALA 95.A N ASP 92.A OD2 no hydrogen 3.025 N/A ALA 96.A N ASP 92.A O no hydrogen 2.983 N/A LEU 97.A N ILE 93.A O no hydrogen 2.802 N/A GLU 98.A N GLU 94.A O no hydrogen 2.999 N/A THR 99.A N ALA 95.A O no hydrogen 2.997 N/A THR 99.A OG1 HIS 89.A NE2 no hydrogen 2.728 N/A THR 99.A OG1 ASN 381.A OD1 no hydrogen 3.303 N/A TYR 100.A N ALA 96.A O no hydrogen 2.853 N/A ASN 101.A N LEU 97.A O no hydrogen 3.313 N/A ASN 101.A ND2 LEU 97.A O no hydrogen 3.029 N/A LEU 102.A N GLU 98.A O no hydrogen 3.086 N/A MET 103.A N THR 99.A O no hydrogen 2.970 N/A SER 104.A N TYR 100.A O no hydrogen 2.896 N/A SER 104.A OG TYR 100.A O no hydrogen 2.311 N/A SER 104.A OG ASN 101.A O no hydrogen 2.756 N/A LEU 105.A N ASN 101.A O no hydrogen 2.765 N/A LYS 106.A N MET 103.A O no hydrogen 2.675 N/A LYS 106.A NZ LEU 516.A O no hydrogen 2.968 N/A TYR 107.A N LEU 102.A O no hydrogen 2.792 N/A THR 109.A N SER 348.A O no hydrogen 2.886 N/A THR 109.A OG1 HIS 110.A O no hydrogen 3.416 N/A ALA 111.A N LEU 346.A O no hydrogen 3.129 N/A SER 112.A OG TYR 65.A OH no hydrogen 2.472 N/A THR 114.A OG1 MET 125.A O no hydrogen 2.625 N/A LEU 115.A N ALA 111.A O no hydrogen 3.118 N/A PHE 116.A N SER 112.A O no hydrogen 2.821 N/A ASN 117.A N PRO 113.A O no hydrogen 2.992 N/A ASN 117.A N THR 114.A O no hydrogen 3.174 N/A ASN 117.A ND2 GLN 124.A O no hydrogen 2.590 N/A ALA 118.A N THR 114.A O no hydrogen 2.763 N/A THR 120.A N ASN 117.A O no hydrogen 3.090 N/A THR 120.A OG1 ASN 117.A O no hydrogen 2.837 N/A GLN 124.A NE2 SER 126.A O no hydrogen 2.616 N/A MET 125.A N ASN 389.A OD1 no hydrogen 2.626 N/A SER 127.A N CYS 344.A O no hydrogen 2.804 N/A PHE 129.A N GLY 157.A O no hydrogen 3.089 N/A LEU 130.A N ALA 342.A O no hydrogen 2.689 N/A VAL 131.A N GLY 159.A O no hydrogen 2.892 N/A MET 133.A N HIS 161.A O no hydrogen 3.404 N/A LYS 134.A N THR 144.A OG1 no hydrogen 3.034 N/A LYS 134.A NZ GLU 147.A OE1 no hydrogen 3.505 N/A LYS 134.A NZ PRO 338.A O no hydrogen 2.749 N/A LYS 134.A NZ GLU 395.A OE2 no hydrogen 2.895 N/A SER 137.A N GLU 135.A O no hydrogen 2.857 N/A SER 137.A OG GLU 135.A OE2 no hydrogen 2.515 N/A GLU 139.A N GLU 139.A OE2 no hydrogen 3.037 N/A GLY 140.A N SER 137.A OG no hydrogen 2.829 N/A ILE 141.A N SER 137.A O no hydrogen 2.622 N/A TYR 142.A N ILE 138.A O no hydrogen 2.970 N/A ASP 143.A N GLU 139.A O no hydrogen 2.793 N/A THR 144.A N GLY 140.A O no hydrogen 3.069 N/A THR 144.A OG1 GLY 140.A O no hydrogen 2.872 N/A LEU 145.A N ILE 141.A O no hydrogen 3.243 N/A LYS 146.A N TYR 142.A O no hydrogen 3.017 N/A GLU 147.A N ASP 143.A O no hydrogen 3.230 N/A CYS 148.A N THR 144.A O no hydrogen 2.803 N/A CYS 148.A SG THR 144.A O no hydrogen 3.595 N/A ALA 149.A N LEU 145.A O no hydrogen 2.832 N/A LEU 150.A N LYS 146.A O no hydrogen 2.797 N/A ILE 151.A N GLU 147.A O no hydrogen 2.892 N/A SER 152.A N CYS 148.A O no hydrogen 2.610 N/A THR 154.A N ILE 151.A O no hydrogen 3.166 N/A ALA 155.A N SER 152.A O no hydrogen 3.329 N/A ILE 158.A N ALA 197.A O no hydrogen 3.159 N/A GLY 159.A N PHE 129.A O no hydrogen 2.964 N/A LEU 160.A N ALA 199.A O no hydrogen 2.784 N/A HIS 161.A N VAL 131.A O no hydrogen 3.253 N/A ILE 162.A N TYR 201.A O no hydrogen 3.224 N/A HIS 163.A NE2 LYS 324.A O no hydrogen 2.742 N/A ASN 164.A N ASN 164.A OD1 no hydrogen 2.559 N/A ASN 164.A ND2 MET 133.A O no hydrogen 3.268 N/A ILE 165.A N ILE 162.A O no hydrogen 3.419 N/A ARG 166.A N ASP 136.A OD1 no hydrogen 3.367 N/A ARG 166.A N ASP 136.A OD2 no hydrogen 3.173 N/A ARG 166.A NE ASP 136.A OD1 no hydrogen 2.711 N/A ARG 166.A NH1 TYR 171.A O no hydrogen 2.774 N/A ARG 166.A NH2 ASP 136.A O no hydrogen 3.396 N/A ARG 166.A NH2 ASP 136.A OD1 no hydrogen 3.434 N/A THR 168.A N ASP 208.A OD1 no hydrogen 3.221 N/A THR 168.A N ASP 208.A OD2 no hydrogen 3.331 N/A THR 168.A OG1 ASN 180.A O no hydrogen 3.227 N/A THR 168.A OG1 ASP 208.A OD1 no hydrogen 2.953 N/A GLY 169.A N SER 179.A O no hydrogen 2.508 N/A SER 170.A N SER 167.A O no hydrogen 3.061 N/A SER 170.A OG SER 167.A O no hydrogen 2.767 N/A SER 170.A OG SER 253.A OG no hydrogen 2.983 N/A GLY 177.A N ASN 176.A OD1 no hydrogen 2.978 N/A THR 178.A OG1 SER 179.A O no hydrogen 3.407 N/A SER 179.A N SER 170.A O no hydrogen 2.816 N/A GLY 181.A N SER 179.A OG no hydrogen 3.283 N/A LEU 182.A N ASP 208.A OD2 no hydrogen 3.225 N/A ILE 186.A N LEU 182.A O no hydrogen 2.694 N/A ARG 187.A N ILE 183.A O no hydrogen 2.923 N/A ARG 187.A NE GLU 223.A O no hydrogen 2.898 N/A VAL 188.A N PRO 184.A O no hydrogen 3.273 N/A PHE 189.A N MET 185.A O no hydrogen 3.196 N/A ASN 190.A N ILE 186.A O no hydrogen 2.785 N/A ASN 191.A N ARG 187.A O no hydrogen 3.058 N/A THR 192.A N VAL 188.A O no hydrogen 3.000 N/A ALA 193.A N PHE 189.A O no hydrogen 2.836 N/A ARG 194.A N ASN 190.A O no hydrogen 2.992 N/A TYR 195.A N ASN 191.A O no hydrogen 3.072 N/A TYR 195.A N THR 192.A O no hydrogen 3.194 N/A VAL 196.A N THR 192.A O no hydrogen 3.323 N/A VAL 196.A N ALA 193.A O no hydrogen 3.175 N/A PHE 198.A N ASP 228.A O no hydrogen 3.499 N/A ALA 199.A N ILE 158.A O no hydrogen 2.900 N/A LEU 200.A N PHE 230.A O no hydrogen 2.747 N/A TYR 201.A N LEU 160.A O no hydrogen 2.590 N/A TYR 201.A OH ASN 327.A O no hydrogen 2.867 N/A LEU 202.A N ALA 232.A O no hydrogen 2.959 N/A GLU 203.A N HIS 163.A ND1 no hydrogen 2.988 N/A TRP 205.A NE1 GLU 203.A OE1 no hydrogen 2.565 N/A HIS 206.A N GLU 203.A O no hydrogen 3.018 N/A HIS 206.A NE2 ILE 165.A O no hydrogen 2.752 N/A ALA 207.A N PHE 252.A O no hydrogen 2.978 N/A ASP 208.A N HIS 206.A ND1 no hydrogen 3.061 N/A ILE 209.A N HIS 206.A O no hydrogen 2.885 N/A ASP 211.A N ASP 208.A O no hydrogen 3.283 N/A PHE 212.A N ASP 208.A O no hydrogen 3.181 N/A ILE 213.A N ILE 209.A O no hydrogen 3.035 N/A ASP 214.A N ASP 211.A O no hydrogen 3.131 N/A ILE 215.A N PHE 212.A O no hydrogen 3.332 N/A ARG 216.A NH1 ASP 228.A OD2 no hydrogen 3.541 N/A ARG 216.A NH1 LEU 229.A O no hydrogen 3.069 N/A LYS 217.A N ASP 214.A O no hydrogen 2.939 N/A LYS 217.A NZ ASP 214.A OD1 no hydrogen 3.524 N/A LYS 217.A NZ ASP 214.A OD2 no hydrogen 3.526 N/A ILE 224.A N LYS 221.A O no hydrogen 3.344 N/A PHE 230.A N PHE 198.A O no hydrogen 2.628 N/A ALA 232.A N LEU 200.A O no hydrogen 2.761 N/A LEU 233.A N PHE 304.A O no hydrogen 3.006 N/A TRP 234.A N LEU 202.A O no hydrogen 2.796 N/A ILE 235.A N VAL 306.A O no hydrogen 3.058 N/A ASP 237.A N ASP 309.A OD2 no hydrogen 2.659 N/A PHE 239.A N PRO 236.A O no hydrogen 3.064 N/A LYS 241.A N ASP 237.A O no hydrogen 3.039 N/A LYS 241.A NZ GLU 269.A OE1 no hydrogen 2.873 N/A LYS 241.A NZ GLU 269.A OE2 no hydrogen 3.290 N/A ARG 242.A N LEU 238.A O no hydrogen 2.985 N/A ARG 242.A NH1 THR 248.A O no hydrogen 2.701 N/A ARG 242.A NH1 GLU 276.A OE1 no hydrogen 3.190 N/A ARG 242.A NH1 GLU 276.A OE2 no hydrogen 3.363 N/A ARG 242.A NH2 GLU 276.A OE2 no hydrogen 2.985 N/A VAL 243.A N PHE 239.A O no hydrogen 3.030 N/A GLU 244.A N MET 240.A O no hydrogen 2.882 N/A GLU 245.A N LYS 241.A O no hydrogen 2.758 N/A ASN 246.A N VAL 243.A O no hydrogen 3.303 N/A GLY 247.A N ARG 242.A O no hydrogen 2.921 N/A TRP 249.A N ILE 284.A O no hydrogen 2.776 N/A TRP 249.A NE1 PRO 204.A O no hydrogen 2.889 N/A THR 250.A N TYR 272.A OH no hydrogen 3.155 N/A THR 250.A OG1 GLU 276.A OE1 no hydrogen 2.737 N/A THR 250.A OG1 THR 283.A OG1 no hydrogen 2.968 N/A LEU 251.A N LYS 282.A O no hydrogen 3.133 N/A PHE 252.A N TRP 205.A O no hydrogen 2.794 N/A SER 253.A OG SER 170.A OG no hydrogen 2.983 N/A SER 253.A OG THR 255.A OG1 no hydrogen 3.141 N/A THR 255.A OG1 SER 253.A OG no hydrogen 3.141 N/A SER 256.A N SER 253.A O no hydrogen 2.858 N/A ALA 257.A N SER 253.A O no hydrogen 2.999 N/A ASP 262.A N GLY 259.A O no hydrogen 2.759 N/A CYS 263.A SG GLY 259.A O no hydrogen 3.649 N/A CYS 263.A SG LEU 260.A O no hydrogen 3.982 N/A GLY 265.A N ASP 309.A OD1 no hydrogen 2.865 N/A PHE 268.A N TYR 264.A O no hydrogen 3.226 N/A GLU 269.A N GLY 265.A O no hydrogen 2.991 N/A ALA 270.A N ASP 266.A O no hydrogen 2.932 N/A LEU 271.A N GLU 267.A O no hydrogen 3.066 N/A TYR 272.A N PHE 268.A O no hydrogen 2.763 N/A TYR 272.A OH THR 250.A O no hydrogen 2.542 N/A THR 273.A N GLU 269.A O no hydrogen 2.925 N/A ARG 274.A N ALA 270.A O no hydrogen 2.801 N/A ARG 274.A NE GLU 278.A OE1 no hydrogen 2.455 N/A ARG 274.A NH2 GLU 278.A OE1 no hydrogen 3.212 N/A ARG 274.A NH2 GLU 278.A OE2 no hydrogen 3.493 N/A TYR 275.A N LEU 271.A O no hydrogen 3.032 N/A TYR 275.A OH PRO 258.A O no hydrogen 2.691 N/A GLU 276.A N TYR 272.A O no hydrogen 2.920 N/A LYS 277.A N THR 273.A O no hydrogen 2.957 N/A GLU 278.A N ARG 274.A O no hydrogen 3.012 N/A GLY 279.A N GLU 276.A O no hydrogen 2.794 N/A ARG 280.A N TYR 275.A O no hydrogen 3.378 N/A ARG 280.A NE GLU 278.A OE2 no hydrogen 2.645 N/A ARG 280.A NH1 SER 256.A O no hydrogen 2.906 N/A LYS 282.A N LEU 251.A O no hydrogen 3.039 N/A THR 283.A OG1 THR 250.A OG1 no hydrogen 2.968 N/A ILE 284.A N TRP 249.A O no hydrogen 2.579 N/A LYS 285.A NZ ASN 246.A O no hydrogen 2.987 N/A LYS 285.A NZ ASN 246.A OD1 no hydrogen 3.482 N/A ALA 286.A N GLY 247.A O no hydrogen 2.957 N/A GLN 287.A NE2 VAL 243.A O no hydrogen 3.168 N/A LYS 288.A N LYS 285.A O no hydrogen 2.770 N/A TRP 290.A N ALA 286.A O no hydrogen 3.059 N/A TRP 290.A NE1 THR 619.A OG1 no hydrogen 2.961 N/A TYR 291.A N GLN 287.A O no hydrogen 2.809 N/A SER 292.A N LYS 288.A O no hydrogen 3.092 N/A SER 292.A OG LYS 288.A O no hydrogen 3.206 N/A ILE 293.A N LEU 289.A O no hydrogen 2.827 N/A LEU 294.A N TRP 290.A O no hydrogen 3.040 N/A GLU 295.A N TYR 291.A O no hydrogen 3.012 N/A ALA 296.A N SER 292.A O no hydrogen 2.970 N/A GLN 297.A N ILE 293.A O no hydrogen 2.863 N/A GLN 297.A NE2 PRO 303.A O no hydrogen 2.719 N/A THR 298.A N LEU 294.A O no hydrogen 2.918 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.774 N/A GLU 299.A N ALA 296.A O no hydrogen 3.353 N/A THR 300.A N ALA 296.A O no hydrogen 2.972 N/A THR 300.A OG1 ALA 296.A O no hydrogen 2.854 N/A THR 300.A OG1 THR 302.A OG1 no hydrogen 2.770 N/A GLY 301.A N GLN 297.A O no hydrogen 2.699 N/A THR 302.A N THR 300.A OG1 no hydrogen 3.223 N/A THR 302.A OG1 THR 300.A OG1 no hydrogen 2.770 N/A PHE 304.A N PRO 231.A O no hydrogen 3.202 N/A VAL 305.A N MET 634.A O no hydrogen 2.737 N/A VAL 306.A N LEU 233.A O no hydrogen 3.102 N/A TYR 307.A N LYS 631.A O no hydrogen 2.575 N/A TYR 307.A OH HIS 622.A O no hydrogen 3.305 N/A LYS 308.A N ILE 235.A O no hydrogen 2.821 N/A LYS 308.A NZ GLU 203.A OE1 no hydrogen 3.090 N/A LYS 308.A NZ GLU 203.A OE2 no hydrogen 3.187 N/A LYS 308.A NZ LEU 260.A O no hydrogen 3.101 N/A LYS 308.A NZ CYS 263.A O no hydrogen 2.998 N/A CYS 311.A N TYR 307.A O no hydrogen 3.108 N/A CYS 311.A SG TYR 307.A O no hydrogen 3.377 N/A ASN 312.A N LYS 308.A O no hydrogen 2.993 N/A ASN 312.A ND2 LYS 308.A O no hydrogen 3.148 N/A ASN 312.A ND2 ILE 323.A O no hydrogen 3.194 N/A ARG 313.A N ASP 309.A O no hydrogen 2.765 N/A LYS 314.A N ALA 310.A O no hydrogen 3.242 N/A LYS 314.A NZ GLY 629.A O no hydrogen 2.660 N/A SER 315.A N ASN 312.A O no hydrogen 3.373 N/A ASN 316.A ND2 SER 501.A O no hydrogen 2.969 N/A GLN 317.A N SER 315.A OG no hydrogen 2.931 N/A GLN 317.A NE2 SER 501.A OG no hydrogen 3.024 N/A LYS 318.A N SER 315.A O no hydrogen 3.006 N/A LYS 318.A NZ ARG 313.A O no hydrogen 2.842 N/A ASN 319.A ND2 THR 460.A O no hydrogen 2.752 N/A ASN 319.A ND2 GLN 462.A O no hydrogen 3.562 N/A LEU 320.A N GLN 317.A O no hydrogen 2.720 N/A ILE 323.A N ASN 312.A OD1 no hydrogen 2.792 N/A LYS 324.A NZ ASP 262.A OD1 no hydrogen 3.308 N/A LYS 324.A NZ ASP 262.A OD2 no hydrogen 3.341 N/A LYS 324.A NZ VAL 322.A O no hydrogen 3.391 N/A SER 325.A OG SER 326.A O no hydrogen 2.909 N/A SER 326.A OG ASN 327.A OD1 no hydrogen 3.433 N/A SER 326.A OG ILE 332.A O no hydrogen 2.574 N/A ASN 327.A N SER 326.A OG no hydrogen 2.573 N/A ASN 327.A ND2 GLU 331.A OE2 no hydrogen 2.904 N/A CYS 329.A SG TYR 635.A OH no hydrogen 3.471 N/A CYS 330.A N ASN 327.A O no hydrogen 3.056 N/A CYS 330.A SG TYR 201.A OH no hydrogen 3.759 N/A GLU 331.A N ASN 327.A OD1 no hydrogen 2.721 N/A GLU 331.A N GLU 331.A OE2 no hydrogen 3.176 N/A ILE 332.A N ASN 327.A OD1 no hydrogen 2.962 N/A VAL 333.A N GLN 602.A OE1 no hydrogen 2.846 N/A TYR 335.A N GLN 317.A OE1 no hydrogen 2.680 N/A ALA 337.A N GLU 340.A O no hydrogen 2.844 N/A GLU 340.A N ALA 337.A O no hydrogen 2.899 N/A THR 341.A N GLU 395.A O no hydrogen 2.993 N/A THR 341.A OG1 GLU 147.A OE2 no hydrogen 2.583 N/A ALA 342.A N LEU 130.A O no hydrogen 3.016 N/A CYS 344.A N CYS 128.A O no hydrogen 2.955 N/A ALA 347.A N ALA 407.A O no hydrogen 3.480 N/A SER 348.A N THR 109.A O no hydrogen 2.983 N/A VAL 349.A N GLY 409.A O no hydrogen 2.787 N/A ALA 350.A N TYR 107.A O no hydrogen 2.719 N/A LEU 351.A N GLN 411.A O no hydrogen 2.996 N/A ALA 353.A N ALA 350.A O no hydrogen 3.002 N/A PHE 354.A N LEU 351.A O no hydrogen 3.347 N/A ILE 355.A N PRO 352.A O no hydrogen 3.106 N/A GLU 356.A N THR 365.A O no hydrogen 2.969 N/A THR 363.A OG1 ASP 360.A OD2 no hydrogen 3.427 N/A THR 365.A N GLU 356.A O no hydrogen 2.753 N/A THR 365.A OG1 GLU 356.A O no hydrogen 3.167 N/A TYR 366.A OH LEU 351.A O no hydrogen 2.818 N/A ASN 367.A N PHE 354.A O no hydrogen 2.695 N/A ASN 367.A ND2 GLU 356.A OE2 no hydrogen 3.183 N/A PHE 368.A N TYR 366.A O no hydrogen 2.950 N/A LYS 370.A N ASN 367.A OD1 no hydrogen 2.831 N/A LYS 370.A NZ GLU 373.A OE2 no hydrogen 3.352 N/A LEU 371.A N ASN 367.A O no hydrogen 3.163 N/A HIS 372.A N PHE 368.A O no hydrogen 3.033 N/A HIS 372.A NE2 HIS 442.A ND1 no hydrogen 2.640 N/A GLU 373.A N LYS 369.A O no hydrogen 3.083 N/A ILE 374.A N LYS 370.A O no hydrogen 2.834 N/A ALA 375.A N LEU 371.A O no hydrogen 2.912 N/A LYS 376.A N HIS 372.A O no hydrogen 3.147 N/A LYS 376.A NZ GLU 446.A OE2 no hydrogen 3.154 N/A LYS 376.A NZ GLU 450.A OE2 no hydrogen 2.853 N/A VAL 377.A N GLU 373.A O no hydrogen 3.232 N/A VAL 377.A N ILE 374.A O no hydrogen 2.819 N/A VAL 378.A N ILE 374.A O no hydrogen 2.984 N/A THR 379.A N ALA 375.A O no hydrogen 3.036 N/A THR 379.A OG1 ALA 375.A O no hydrogen 2.582 N/A ARG 380.A N LYS 376.A O no hydrogen 3.150 N/A ARG 380.A NH1 GLU 450.A OE2 no hydrogen 3.249 N/A ASN 381.A N VAL 377.A O no hydrogen 2.908 N/A ASN 381.A ND2 THR 99.A OG1 no hydrogen 3.012 N/A ASN 381.A ND2 HIS 110.A NE2 no hydrogen 3.163 N/A LEU 382.A N VAL 378.A O no hydrogen 2.988 N/A ASN 383.A N THR 379.A O no hydrogen 3.170 N/A ASN 383.A ND2 THR 379.A O no hydrogen 3.067 N/A ASN 383.A ND2 ASN 500.A OD1 no hydrogen 2.813 N/A ARG 384.A N ARG 380.A O no hydrogen 3.116 N/A ARG 384.A NH1 HIS 89.A O no hydrogen 2.673 N/A VAL 385.A N ASN 381.A O no hydrogen 2.900 N/A ILE 386.A N LEU 382.A O no hydrogen 3.192 N/A ASP 387.A N ASN 383.A O no hydrogen 3.357 N/A ARG 388.A N ARG 384.A O no hydrogen 2.687 N/A ARG 388.A NE GLY 87.A O no hydrogen 2.827 N/A ARG 388.A NH1 ASP 29.A OD1 no hydrogen 3.184 N/A ARG 388.A NH2 ASP 29.A OD1 no hydrogen 2.898 N/A ARG 388.A NH2 GLY 87.A O no hydrogen 3.132 N/A ASN 389.A ND2 GLN 124.A OE1 no hydrogen 2.885 N/A TYR 390.A N PRO 123.A O no hydrogen 2.791 N/A TYR 391.A OH ILE 386.A O no hydrogen 2.494 N/A GLU 395.A N GLU 395.A OE1 no hydrogen 2.783 N/A ALA 396.A N VAL 393.A O no hydrogen 2.894 N/A ARG 397.A N VAL 393.A O no hydrogen 3.427 N/A ARG 397.A NE GLU 394.A OE1 no hydrogen 3.315 N/A ARG 397.A NE GLU 394.A OE2 no hydrogen 3.107 N/A ARG 397.A NH2 GLU 394.A OE1 no hydrogen 2.482 N/A LYS 398.A N GLU 394.A O no hydrogen 2.889 N/A LYS 398.A NZ ASP 339.A OD1 no hydrogen 2.439 N/A SER 399.A N GLU 395.A O no hydrogen 3.191 N/A ASN 400.A N ALA 396.A O no hydrogen 2.988 N/A ASN 400.A ND2 TYR 391.A OH no hydrogen 2.952 N/A MET 401.A N ARG 397.A O no hydrogen 3.078 N/A ARG 402.A N LYS 398.A O no hydrogen 3.076 N/A ARG 402.A NE GLU 340.A OE2 no hydrogen 3.479 N/A ARG 402.A NH1 GLU 459.A OE2 no hydrogen 3.434 N/A HIS 403.A N SER 399.A O no hydrogen 3.269 N/A HIS 403.A NE2 GLU 340.A OE1 no hydrogen 2.727 N/A ARG 404.A N ASN 400.A O no hydrogen 3.001 N/A ARG 404.A NH2 ASN 383.A O no hydrogen 3.445 N/A ARG 404.A NH2 ASP 387.A OD2 no hydrogen 2.921 N/A ILE 406.A N LEU 502.A O no hydrogen 3.019 N/A LEU 408.A N THR 503.A O no hydrogen 2.901 N/A GLY 409.A N ALA 347.A O no hydrogen 2.923 N/A GLN 411.A N VAL 349.A O no hydrogen 3.031 N/A GLN 411.A NE2 SER 348.A OG no hydrogen 2.806 N/A GLN 411.A NE2 THR 512.A O no hydrogen 3.533 N/A LEU 413.A N CYS 521.A O no hydrogen 3.241 N/A THR 416.A N GLY 412.A O no hydrogen 2.921 N/A THR 416.A OG1 GLY 412.A O no hydrogen 2.578 N/A PHE 417.A N LEU 413.A O no hydrogen 2.958 N/A MET 418.A N ALA 414.A O no hydrogen 3.020 N/A LEU 419.A N ASP 415.A O no hydrogen 2.940 N/A LEU 420.A N THR 416.A O no hydrogen 2.981 N/A ARG 421.A N MET 418.A O no hydrogen 3.085 N/A ARG 421.A NH1 GLU 573.A OE1 no hydrogen 3.017 N/A ARG 421.A NH2 ASP 542.A OD2 no hydrogen 2.177 N/A LEU 422.A N PHE 417.A O no hydrogen 2.785 N/A SER 426.A N PRO 423.A O no hydrogen 2.893 N/A SER 426.A OG PRO 423.A O no hydrogen 2.742 N/A ALA 429.A N SER 426.A OG no hydrogen 2.705 N/A ARG 430.A N SER 426.A O no hydrogen 3.107 N/A LEU 431.A N GLU 427.A O no hydrogen 3.041 N/A LEU 432.A N GLU 428.A O no hydrogen 2.754 N/A ASN 433.A N ALA 429.A O no hydrogen 2.857 N/A ASN 433.A ND2 MET 592.A O no hydrogen 2.809 N/A ILE 434.A N ARG 430.A O no hydrogen 3.397 N/A GLN 435.A N LEU 431.A O no hydrogen 2.898 N/A ILE 436.A N LEU 432.A O no hydrogen 2.735 N/A PHE 437.A N ASN 433.A O no hydrogen 3.131 N/A GLU 438.A N ILE 434.A O no hydrogen 2.844 N/A THR 439.A N GLN 435.A O no hydrogen 2.871 N/A ILE 440.A N ILE 436.A O no hydrogen 3.089 N/A TYR 441.A N PHE 437.A O no hydrogen 3.142 N/A HIS 442.A N GLU 438.A O no hydrogen 2.998 N/A HIS 442.A ND1 HIS 372.A NE2 no hydrogen 2.640 N/A ALA 443.A N THR 439.A O no hydrogen 2.855 N/A SER 444.A N ILE 440.A O no hydrogen 2.946 N/A SER 444.A OG ILE 440.A O no hydrogen 2.859 N/A SER 444.A OG TYR 441.A O no hydrogen 2.916 N/A SER 444.A OG THR 503.A OG1 no hydrogen 3.420 N/A MET 445.A N TYR 441.A O no hydrogen 2.958 N/A GLU 446.A N HIS 442.A O no hydrogen 2.934 N/A ALA 447.A N ALA 443.A O no hydrogen 2.819 N/A SER 448.A N SER 444.A O no hydrogen 3.005 N/A SER 448.A OG ASN 500.A OD1 no hydrogen 3.052 N/A CYS 449.A N MET 445.A O no hydrogen 3.012 N/A CYS 449.A N GLU 446.A O no hydrogen 2.966 N/A CYS 449.A SG GLN 453.A OE1 no hydrogen 3.982 N/A CYS 449.A SG GLY 497.A O no hydrogen 3.230 N/A GLU 450.A N GLU 446.A O no hydrogen 3.000 N/A LEU 451.A N ALA 447.A O no hydrogen 3.158 N/A ALA 452.A N SER 448.A O no hydrogen 3.147 N/A GLN 453.A N CYS 449.A O no hydrogen 3.033 N/A LYS 454.A N GLU 450.A O no hydrogen 3.097 N/A ASP 455.A N LEU 451.A O no hydrogen 2.714 N/A GLY 456.A N ALA 452.A O no hydrogen 2.765 N/A PHE 461.A N TYR 458.A O no hydrogen 3.065 N/A SER 464.A N PHE 461.A O no hydrogen 3.053 N/A SER 464.A OG PHE 461.A O no hydrogen 2.676 N/A ALA 466.A N ASN 316.A OD1 no hydrogen 2.796 N/A SER 467.A N SER 464.A OG no hydrogen 3.377 N/A SER 467.A OG SER 464.A O no hydrogen 2.722 N/A GLN 468.A N SER 464.A O no hydrogen 3.070 N/A GLY 469.A N ALA 466.A O no hydrogen 2.888 N/A ILE 470.A N PRO 465.A O no hydrogen 2.675 N/A LEU 471.A N ASP 474.A OD1 no hydrogen 2.743 N/A GLN 472.A N TYR 441.A OH no hydrogen 3.313 N/A GLN 472.A NE2 LYS 314.A O no hydrogen 2.924 N/A MET 475.A N LEU 471.A O no hydrogen 3.344 N/A MET 475.A N GLN 472.A O no hydrogen 2.779 N/A TRP 476.A N PHE 473.A O no hydrogen 2.911 N/A TRP 476.A NE1 GLN 472.A OE1 no hydrogen 3.113 N/A ASP 477.A N ASP 474.A O no hydrogen 2.905 N/A GLN 478.A N PHE 473.A O no hydrogen 3.170 N/A TYR 481.A N TYR 599.A OH no hydrogen 2.851 N/A GLY 482.A N GLU 438.A OE1 no hydrogen 3.263 N/A MET 483.A N GLU 438.A OE2 no hydrogen 3.217 N/A TRP 486.A NE1 GLU 438.A OE1 no hydrogen 2.618 N/A THR 488.A N ASP 485.A OD1 no hydrogen 3.125 N/A THR 488.A OG1 ASP 485.A OD1 no hydrogen 2.774 N/A THR 488.A OG1 ASP 485.A OD2 no hydrogen 2.573 N/A ARG 490.A N TRP 486.A O no hydrogen 2.861 N/A ARG 490.A NE GLY 469.A O no hydrogen 2.792 N/A ARG 490.A NH2 ASP 474.A OD1 no hydrogen 3.050 N/A ARG 490.A NH2 ASP 474.A OD2 no hydrogen 3.337 N/A LYS 491.A N ASP 487.A O no hydrogen 2.850 N/A ASP 492.A N THR 488.A O no hydrogen 2.961 N/A ILE 493.A N LEU 489.A O no hydrogen 2.898 N/A MET 494.A N ARG 490.A O no hydrogen 3.011 N/A LYS 495.A N LYS 491.A O no hydrogen 3.173 N/A HIS 496.A N ASP 492.A O no hydrogen 2.748 N/A GLY 497.A N ILE 493.A O no hydrogen 2.736 N/A ARG 499.A N SER 448.A O no hydrogen 2.746 N/A ARG 499.A NH1 GLY 456.A O no hydrogen 2.981 N/A ASN 500.A N SER 448.A OG no hydrogen 2.843 N/A ASN 500.A ND2 ASN 383.A OD1 no hydrogen 3.165 N/A ASN 500.A ND2 ARG 404.A O no hydrogen 2.718 N/A SER 501.A N HIS 403.A O no hydrogen 2.922 N/A SER 501.A OG HIS 403.A O no hydrogen 2.649 N/A THR 503.A OG1 SER 444.A OG no hydrogen 3.420 N/A THR 503.A OG1 ASP 601.A OD2 no hydrogen 2.755 N/A ALA 505.A N LEU 408.A O no hydrogen 2.864 N/A THR 509.A OG1 SER 513.A OG no hydrogen 3.053 N/A THR 509.A OG1 GLU 520.A OE2 no hydrogen 3.295 N/A ALA 510.A N GLU 520.A OE2 no hydrogen 2.740 N/A THR 512.A N THR 509.A O no hydrogen 2.887 N/A THR 512.A OG1 THR 509.A O no hydrogen 2.952 N/A SER 513.A OG THR 509.A OG1 no hydrogen 3.053 N/A SER 513.A OG ALA 510.A O no hydrogen 3.481 N/A ILE 515.A N SER 511.A O no hydrogen 3.175 N/A GLY 517.A N GLN 514.A O no hydrogen 3.053 N/A TYR 518.A N SER 513.A O no hydrogen 2.937 N/A ASN 519.A N ASP 415.A OD2 no hydrogen 3.221 N/A CYS 521.A N THR 509.A OG1 no hydrogen 2.896 N/A GLU 523.A N GLU 520.A O no hydrogen 3.141 N/A THR 526.A N TYR 530.A OH no hydrogen 3.088 N/A THR 526.A OG1 TYR 530.A OH no hydrogen 2.477 N/A SER 527.A OG MET 529.A O no hydrogen 2.763 N/A SER 527.A OG ASN 561.A O no hydrogen 2.602 N/A ASN 528.A N GLY 562.A O no hydrogen 3.180 N/A ASN 528.A ND2 GLY 562.A O no hydrogen 3.294 N/A ASN 528.A ND2 TYR 578.A O no hydrogen 2.976 N/A MET 529.A N SER 527.A OG no hydrogen 3.005 N/A TYR 530.A N VAL 534.A O no hydrogen 3.026 N/A TYR 530.A OH THR 526.A OG1 no hydrogen 2.477 N/A VAL 534.A N TYR 530.A O no hydrogen 3.053 N/A ASN 536.A N ASN 528.A O no hydrogen 2.664 N/A ASN 536.A ND2 ASN 528.A OD1 no hydrogen 3.150 N/A TYR 538.A N ASN 536.A OD1 no hydrogen 2.796 N/A TYR 538.A OH ASP 415.A OD1 no hydrogen 2.634 N/A LEU 539.A N ASN 536.A OD1 no hydrogen 3.294 N/A LEU 540.A N ASN 536.A O no hydrogen 2.620 N/A ARG 541.A N PRO 537.A O no hydrogen 2.897 N/A ASP 542.A N TYR 538.A O no hydrogen 3.224 N/A LEU 543.A N LEU 539.A O no hydrogen 3.136 N/A LEU 543.A N LEU 540.A O no hydrogen 2.972 N/A VAL 544.A N LEU 540.A O no hydrogen 3.106 N/A ASP 545.A N ARG 541.A O no hydrogen 3.004 N/A GLY 547.A N VAL 544.A O no hydrogen 2.593 N/A TYR 556.A OH GLY 566.A O no hydrogen 3.220 N/A LEU 557.A N MET 553.A O no hydrogen 2.654 N/A ILE 558.A N LYS 554.A O no hydrogen 3.504 N/A THR 559.A N GLN 555.A O no hydrogen 3.140 N/A THR 559.A OG1 GLN 555.A O no hydrogen 3.275 N/A GLN 560.A N LEU 557.A O no hydrogen 3.193 N/A ASN 561.A N ILE 558.A O no hydrogen 3.449 N/A GLY 562.A N LEU 557.A O no hydrogen 2.824 N/A SER 563.A OG GLU 583.A OE2 no hydrogen 2.454 N/A GLN 565.A NE2 LYS 575.A O no hydrogen 3.003 N/A LEU 567.A N ILE 564.A O no hydrogen 3.051 N/A GLN 572.A NE2 ASP 576.A OD1 no hydrogen 3.160 N/A GLN 572.A NE2 ASP 576.A OD2 no hydrogen 3.391 N/A LEU 574.A N PRO 571.A O no hydrogen 3.037 N/A LYS 575.A N PRO 571.A O no hydrogen 3.180 N/A LYS 575.A NZ LEU 567.A O no hydrogen 3.252 N/A LYS 575.A NZ VAL 570.A O no hydrogen 3.446 N/A ASP 576.A N GLN 572.A O no hydrogen 3.045 N/A LEU 577.A N GLU 573.A O no hydrogen 3.083 N/A LEU 577.A N LEU 574.A O no hydrogen 3.058 N/A TYR 578.A N LEU 574.A O no hydrogen 3.022 N/A TYR 578.A OH ASP 542.A OD2 no hydrogen 2.626 N/A LYS 579.A NZ ASP 425.A OD2 no hydrogen 3.379 N/A THR 580.A N GLU 583.A OE1 no hydrogen 2.791 N/A THR 580.A OG1 THR 526.A O no hydrogen 3.553 N/A VAL 581.A N VAL 525.A O no hydrogen 2.840 N/A GLU 583.A N THR 580.A O no hydrogen 2.797 N/A ILE 584.A N VAL 581.A O no hydrogen 3.359 N/A LYS 587.A N SER 585.A OG no hydrogen 3.093 N/A THR 588.A N SER 585.A O no hydrogen 2.961 N/A ILE 589.A N SER 585.A O no hydrogen 3.235 N/A ILE 590.A N GLN 586.A O no hydrogen 2.917 N/A ASN 591.A N LYS 587.A O no hydrogen 2.978 N/A MET 592.A N THR 588.A O no hydrogen 2.889 N/A ALA 593.A N ILE 589.A O no hydrogen 3.011 N/A ALA 594.A N ILE 590.A O no hydrogen 2.868 N/A ASP 595.A N ASN 591.A O no hydrogen 2.790 N/A ARG 596.A N MET 592.A O no hydrogen 2.984 N/A ARG 596.A NE ASN 433.A OD1 no hydrogen 2.855 N/A ARG 596.A NH2 ASN 433.A OD1 no hydrogen 3.189 N/A SER 597.A N ALA 593.A O no hydrogen 2.920 N/A SER 597.A OG ALA 593.A O no hydrogen 2.613 N/A SER 597.A OG HIS 604.A NE2 no hydrogen 3.234 N/A TYR 599.A N ARG 596.A O no hydrogen 2.953 N/A ILE 600.A N SER 597.A O no hydrogen 3.156 N/A GLN 602.A N MET 504.A O no hydrogen 3.140 N/A GLN 602.A NE2 GLU 334.A OE2 no hydrogen 2.970 N/A GLN 602.A NE2 ILE 406.A O no hydrogen 3.078 N/A SER 603.A N GLU 331.A O no hydrogen 2.843 N/A SER 603.A OG THR 632.A OG1 no hydrogen 2.885 N/A HIS 604.A NE2 SER 597.A OG no hydrogen 3.234 N/A SER 605.A N PRO 506.A O no hydrogen 3.442 N/A SER 605.A OG CYS 329.A O no hydrogen 2.935 N/A ASN 607.A ND2 TYR 636.A O no hydrogen 3.504 N/A LEU 608.A N TYR 636.A O no hydrogen 3.044 N/A LEU 610.A N ARG 638.A O no hydrogen 3.165 N/A LYS 617.A N THR 614.A OG1 no hydrogen 3.019 N/A LYS 617.A NZ ALA 612.A O no hydrogen 2.870 N/A LEU 618.A N THR 614.A O no hydrogen 3.207 N/A THR 619.A N MET 615.A O no hydrogen 3.160 N/A THR 619.A OG1 MET 615.A O no hydrogen 2.730 N/A SER 620.A N GLY 616.A O no hydrogen 3.077 N/A SER 620.A OG GLY 616.A O no hydrogen 3.457 N/A MET 621.A N LYS 617.A O no hydrogen 3.119 N/A HIS 622.A N LEU 618.A O no hydrogen 2.831 N/A HIS 622.A NE2 GLN 297.A OE1 no hydrogen 2.855 N/A PHE 623.A N THR 619.A O no hydrogen 3.172 N/A TYR 624.A N SER 620.A O no hydrogen 2.942 N/A TYR 624.A OH ASN 591.A OD1 no hydrogen 2.783 N/A GLY 625.A N MET 621.A O no hydrogen 3.389 N/A TRP 626.A N HIS 622.A O no hydrogen 2.825 N/A TRP 626.A NE1 ASP 237.A OD1 no hydrogen 2.812 N/A LYS 627.A N PHE 623.A O no hydrogen 2.701 N/A LYS 627.A NZ GLU 244.A OE1 no hydrogen 2.993 N/A LYS 627.A NZ GLU 244.A OE2 no hydrogen 2.760 N/A LYS 628.A N TYR 624.A O no hydrogen 2.897 N/A LYS 628.A NZ ASN 591.A OD1 no hydrogen 2.850 N/A GLY 629.A N TRP 626.A O no hydrogen 2.868 N/A LEU 630.A N GLY 625.A O no hydrogen 3.433 N/A LYS 631.A NZ LYS 314.A O no hydrogen 3.220 N/A LYS 631.A NZ GLN 472.A OE1 no hydrogen 2.673 N/A LYS 631.A NZ ILE 600.A O no hydrogen 3.378 N/A LYS 631.A NZ GLN 602.A O no hydrogen 2.805 N/A THR 632.A OG1 CYS 330.A O no hydrogen 2.687 N/A THR 632.A OG1 SER 603.A OG no hydrogen 2.885 N/A GLY 633.A N VAL 305.A O no hydrogen 2.909 N/A MET 634.A N VAL 305.A O no hydrogen 3.158 N/A TYR 635.A N LEU 606.A O no hydrogen 3.144 N/A LEU 637.A N GLY 301.A O no hydrogen 3.287 N/A ARG 638.A N LEU 608.A O no hydrogen 2.896 N/A GLN 640.A NE2 THR 639.A O no hydrogen 3.420 N/A