Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ps9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASP 296.A OD1 no hydrogen 2.873 N/A PHE 6.A N TYR 2.A O no hydrogen 3.205 N/A ALA 7.A N SER 4.A O no hydrogen 3.328 N/A LEU 9.A N LEU 16.A O no hydrogen 3.003 N/A LEU 11.A N THR 14.A O no hydrogen 2.859 N/A GLY 12.A N ASP 10.A OD1 no hydrogen 3.102 N/A LEU 16.A N LEU 9.A O no hydrogen 2.960 N/A LYS 17.A NZ GLY 94.A O no hydrogen 2.989 N/A ASN 18.A ND2 GLY 50.A O no hydrogen 2.832 N/A ARG 19.A N LEU 5.A O no hydrogen 3.065 N/A ARG 19.A NE ALA 7.A O no hydrogen 2.869 N/A ARG 19.A NE PRO 8.A O no hydrogen 3.132 N/A ARG 19.A NH1 ASP 305.A O no hydrogen 2.766 N/A ARG 19.A NH2 PRO 8.A O no hydrogen 3.292 N/A VAL 20.A N ASN 18.A OD1 no hydrogen 3.071 N/A LEU 21.A N VAL 307.A O no hydrogen 3.016 N/A MET 22.A N LEU 53.A O no hydrogen 2.827 N/A GLY 23.A N MET 309.A O no hydrogen 3.057 N/A SER 24.A OG SER 56.A O no hydrogen 2.778 N/A THR 27.A N GLU 30.A OE1 no hydrogen 2.469 N/A THR 27.A OG1 GLU 30.A OE1 no hydrogen 3.292 N/A THR 27.A OG1 GLU 30.A OE2 no hydrogen 3.259 N/A GLY 28.A N GLU 30.A OE1 no hydrogen 3.225 N/A LEU 29.A N THR 27.A OG1 no hydrogen 2.920 N/A TYR 32.A N LEU 29.A O no hydrogen 2.951 N/A GLY 35.A N TYR 32.A O no hydrogen 3.108 N/A ARG 38.A N ASP 34.A O no hydrogen 3.057 N/A ARG 38.A NH2 CYS 360.A O no hydrogen 2.903 N/A LEU 39.A N GLY 35.A O no hydrogen 2.632 N/A ALA 40.A N ALA 36.A O no hydrogen 3.046 N/A ALA 41.A N GLU 37.A O no hydrogen 3.298 N/A PHE 42.A N ARG 38.A O no hydrogen 2.870 N/A TYR 43.A N LEU 39.A O no hydrogen 2.813 N/A ALA 44.A N ALA 40.A O no hydrogen 2.946 N/A GLU 45.A N ALA 41.A O no hydrogen 3.285 N/A ARG 46.A NE PHE 313.A O no hydrogen 2.817 N/A ARG 46.A NH1 PHE 42.A O no hydrogen 2.895 N/A ARG 46.A NH1 GLU 362.A OE2 no hydrogen 3.285 N/A ARG 46.A NH2 PHE 313.A O no hydrogen 2.712 N/A ALA 47.A N TYR 43.A O no hydrogen 2.957 N/A ARG 48.A N ALA 44.A O no hydrogen 2.733 N/A HIS 49.A N GLU 45.A O no hydrogen 3.211 N/A HIS 49.A N ARG 46.A O no hydrogen 3.171 N/A HIS 49.A ND1 SER 321.A OG no hydrogen 2.701 N/A GLY 50.A N ALA 47.A O no hydrogen 3.355 N/A VAL 51.A N ARG 46.A O no hydrogen 3.278 N/A ILE 54.A N LYS 96.A O no hydrogen 3.110 N/A VAL 55.A N MET 22.A O no hydrogen 2.977 N/A SER 56.A N ALA 98.A O no hydrogen 2.952 N/A SER 56.A OG GLY 57.A O no hydrogen 2.801 N/A ILE 59.A N GLN 100.A O no hydrogen 3.070 N/A ALA 60.A N ALA 72.A O no hydrogen 3.251 N/A THR 64.A N ASP 62.A OD2 no hydrogen 2.902 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 2.338 N/A THR 64.A OG1 HIS 103.A NE2 no hydrogen 2.957 N/A GLY 71.A N MET 68.A O no hydrogen 2.727 N/A ALA 72.A N GLU 31.A OE1 no hydrogen 2.808 N/A LEU 74.A N ALA 60.A O no hydrogen 3.111 N/A ASN 75.A N GLN 79.A OE1 no hydrogen 2.629 N/A GLN 79.A N ASP 76.A O no hydrogen 2.644 N/A GLN 79.A NE2 MET 73.A O no hydrogen 2.697 N/A ILE 80.A N ALA 77.A O no hydrogen 3.169 N/A HIS 83.A N GLN 79.A O no hydrogen 3.499 N/A HIS 83.A ND1 TYR 155.A OH no hydrogen 2.834 N/A ARG 84.A N ILE 80.A O no hydrogen 2.687 N/A ARG 84.A NH1 GLU 152.A O no hydrogen 3.505 N/A THR 85.A N PRO 81.A O no hydrogen 3.036 N/A THR 85.A OG1 PRO 81.A O no hydrogen 2.898 N/A ILE 86.A N HIS 83.A O no hydrogen 2.783 N/A THR 87.A N HIS 83.A O no hydrogen 2.873 N/A THR 87.A OG1 ARG 84.A O no hydrogen 3.372 N/A THR 87.A OG1 ALA 153.A O no hydrogen 2.845 N/A GLU 88.A N ARG 84.A O no hydrogen 3.089 N/A VAL 90.A N ILE 86.A O no hydrogen 3.156 N/A HIS 91.A N THR 87.A O no hydrogen 2.901 N/A HIS 91.A NE2 ASP 156.A OD2 no hydrogen 2.819 N/A GLN 92.A N GLU 88.A O no hydrogen 3.064 N/A GLU 93.A N VAL 90.A O no hydrogen 3.147 N/A GLY 94.A N HIS 91.A O no hydrogen 2.916 N/A GLY 95.A N VAL 90.A O no hydrogen 3.064 N/A ILE 97.A N ASP 156.A OD2 no hydrogen 2.962 N/A ALA 98.A N ILE 54.A O no hydrogen 2.764 N/A LEU 99.A N GLY 157.A O no hydrogen 2.948 N/A GLN 100.A N SER 56.A OG no hydrogen 3.330 N/A GLN 100.A NE2 GLU 159.A OE1 no hydrogen 2.737 N/A ILE 101.A N GLU 159.A O no hydrogen 2.647 N/A LEU 102.A N ILE 59.A O no hydrogen 2.810 N/A HIS 103.A NE2 THR 64.A OG1 no hydrogen 2.957 N/A THR 104.A N GLY 65.A O no hydrogen 2.918 N/A THR 104.A OG1 GLY 65.A O no hydrogen 2.772 N/A THR 104.A OG1 VAL 66.A O no hydrogen 2.638 N/A GLY 105.A N HIS 103.A ND1 no hydrogen 2.904 N/A ARG 106.A N GLU 170.A OE1 no hydrogen 3.084 N/A ARG 106.A N GLU 170.A OE2 no hydrogen 3.334 N/A ARG 106.A NH1 LEU 119.A O no hydrogen 2.992 N/A ARG 106.A NH2 GLU 253.A OE1 no hydrogen 2.515 N/A TYR 107.A N THR 104.A O no hydrogen 2.821 N/A TYR 107.A OH GLU 253.A OE1 no hydrogen 2.685 N/A SER 108.A N GLY 105.A O no hydrogen 3.329 N/A SER 108.A OG GLY 105.A O no hydrogen 3.309 N/A TYR 109.A N GLY 67.A O no hydrogen 2.942 N/A LEU 113.A N GLN 110.A O no hydrogen 3.282 N/A ALA 115.A N HIS 129.A O no hydrogen 3.203 N/A LEU 119.A N SER 117.A O no hydrogen 2.735 N/A ASN 124.A N ALA 121.A O no hydrogen 3.356 N/A ASN 124.A ND2 ARG 106.A O no hydrogen 2.648 N/A ASN 124.A ND2 SER 108.A O no hydrogen 3.203 N/A PHE 126.A N ASN 124.A OD1 no hydrogen 3.406 N/A HIS 129.A N LEU 113.A O no hydrogen 2.960 N/A LEU 131.A N ALA 115.A O no hydrogen 3.073 N/A SER 132.A N GLU 135.A OE2 no hydrogen 2.996 N/A HIS 133.A NE2 GLN 182.A OE1 no hydrogen 2.918 N/A GLU 135.A N SER 132.A OG no hydrogen 3.233 N/A ILE 136.A N SER 132.A O no hydrogen 2.994 N/A LEU 137.A N HIS 133.A O no hydrogen 3.182 N/A GLN 138.A N GLU 134.A O no hydrogen 3.108 N/A GLN 138.A NE2 ASN 142.A OD1 no hydrogen 3.679 N/A LEU 139.A N GLU 135.A O no hydrogen 2.862 N/A ILE 140.A N ILE 136.A O no hydrogen 2.877 N/A ASP 141.A N LEU 137.A O no hydrogen 3.044 N/A ASN 142.A N GLN 138.A O no hydrogen 2.726 N/A PHE 143.A N LEU 139.A O no hydrogen 2.933 N/A ALA 144.A N ILE 140.A O no hydrogen 3.467 N/A ARG 145.A N ASP 141.A O no hydrogen 2.949 N/A ARG 145.A NH2 PRO 61.A O no hydrogen 3.116 N/A CYS 146.A N ASN 142.A O no hydrogen 2.865 N/A CYS 146.A SG LEU 74.A O no hydrogen 3.723 N/A ALA 147.A N PHE 143.A O no hydrogen 2.987 N/A GLN 148.A N ALA 144.A O no hydrogen 2.811 N/A LEU 149.A N ARG 145.A O no hydrogen 2.959 N/A ALA 150.A N CYS 146.A O no hydrogen 2.963 N/A ARG 151.A N ALA 147.A O no hydrogen 2.836 N/A GLU 152.A N GLN 148.A O no hydrogen 2.907 N/A ALA 153.A N LEU 149.A O no hydrogen 2.768 N/A GLY 154.A N ARG 151.A O no hydrogen 2.947 N/A TYR 155.A N ALA 150.A O no hydrogen 3.086 N/A TYR 155.A OH HIS 83.A ND1 no hydrogen 2.834 N/A ASP 156.A N ILE 97.A O no hydrogen 2.774 N/A VAL 158.A N ILE 210.A O no hydrogen 2.967 N/A GLU 159.A N LEU 99.A O no hydrogen 2.786 N/A VAL 160.A N ILE 212.A O no hydrogen 2.713 N/A MET 161.A N ILE 101.A O no hydrogen 3.202 N/A GLY 162.A N ARG 214.A O no hydrogen 3.164 N/A GLY 165.A N ASN 169.A OD1 no hydrogen 2.816 N/A TYR 166.A N SER 163.A O no hydrogen 3.158 N/A LEU 167.A N HIS 103.A O no hydrogen 3.209 N/A ASN 169.A ND2 ASP 219.A OD2 no hydrogen 3.514 N/A GLU 170.A N TYR 166.A O no hydrogen 2.825 N/A PHE 171.A N LEU 167.A O no hydrogen 3.176 N/A PHE 171.A N ILE 168.A O no hydrogen 3.189 N/A LEU 172.A N ASN 169.A O no hydrogen 3.049 N/A THR 173.A OG1 THR 176.A OG1 no hydrogen 3.087 N/A ARG 175.A NE GLU 253.A OE2 no hydrogen 3.320 N/A ARG 175.A NH1 GLU 222.A O no hydrogen 3.004 N/A ARG 175.A NH2 GLU 253.A OE2 no hydrogen 3.181 N/A THR 176.A N THR 173.A O no hydrogen 3.154 N/A THR 176.A OG1 GLU 170.A O no hydrogen 2.476 N/A THR 176.A OG1 THR 173.A O no hydrogen 3.421 N/A THR 176.A OG1 THR 173.A OG1 no hydrogen 3.087 N/A ASN 177.A N THR 173.A O no hydrogen 2.792 N/A ASN 177.A ND2 PHE 171.A O no hydrogen 2.930 N/A ASN 177.A ND2 TRP 183.A O no hydrogen 2.938 N/A GLN 178.A N SER 117.A OG no hydrogen 2.961 N/A ARG 179.A N ASN 177.A OD1 no hydrogen 2.895 N/A ARG 179.A NH1 PRO 116.A O no hydrogen 2.937 N/A ARG 179.A NH1 LEU 131.A O no hydrogen 2.753 N/A ARG 179.A NH2 LEU 131.A O no hydrogen 3.177 N/A ARG 179.A NH2 ASP 181.A OD2 no hydrogen 3.291 N/A GLY 184.A N ASP 181.A O no hydrogen 3.357 N/A TYR 187.A OH GLU 229.A O no hydrogen 3.253 N/A ARG 188.A N ASP 186.A OD2 no hydrogen 3.259 N/A ASN 189.A N ASP 186.A O no hydrogen 3.009 N/A ASN 189.A ND2 GLY 184.A O no hydrogen 3.077 N/A ARG 190.A N ASP 186.A O no hydrogen 3.220 N/A ARG 190.A NE GLY 185.A O no hydrogen 3.239 N/A ARG 190.A NH1 LEU 172.A O no hydrogen 3.040 N/A ARG 190.A NH2 GLY 185.A O no hydrogen 3.523 N/A MET 191.A N TYR 187.A O no hydrogen 3.001 N/A ARG 192.A N ASN 189.A O no hydrogen 3.162 N/A ARG 192.A NE GLN 182.A O no hydrogen 2.858 N/A ARG 192.A NH2 GLN 182.A O no hydrogen 3.565 N/A ARG 192.A NH2 ASN 189.A OD1 no hydrogen 2.587 N/A VAL 195.A N MET 191.A O no hydrogen 3.009 N/A GLU 196.A N ARG 192.A O no hydrogen 2.800 N/A VAL 197.A N PHE 193.A O no hydrogen 2.880 N/A VAL 198.A N ALA 194.A O no hydrogen 3.189 N/A ARG 199.A N VAL 195.A O no hydrogen 2.897 N/A ALA 200.A N GLU 196.A O no hydrogen 2.926 N/A VAL 201.A N VAL 197.A O no hydrogen 2.957 N/A ARG 202.A N VAL 198.A O no hydrogen 2.862 N/A ARG 202.A NE GLY 241.A O no hydrogen 3.025 N/A ARG 202.A NH1 GLY 206.A O no hydrogen 2.726 N/A ARG 202.A NH1 PHE 209.A O no hydrogen 2.801 N/A ARG 202.A NH2 PHE 209.A O no hydrogen 2.996 N/A ARG 202.A NH2 GLY 241.A O no hydrogen 2.853 N/A GLU 203.A N ARG 199.A O no hydrogen 3.221 N/A ARG 204.A N ALA 200.A O no hydrogen 3.236 N/A ARG 204.A NE GLN 148.A OE1 no hydrogen 2.898 N/A ARG 204.A NH2 ASP 141.A OD1 no hydrogen 3.253 N/A VAL 205.A N VAL 201.A O no hydrogen 3.104 N/A GLY 206.A N ARG 202.A O no hydrogen 3.022 N/A ILE 210.A N ASP 156.A O no hydrogen 3.295 N/A ILE 211.A N THR 243.A OG1 no hydrogen 2.793 N/A ILE 212.A N VAL 158.A O no hydrogen 2.892 N/A TYR 213.A N ILE 244.A O no hydrogen 2.971 N/A ARG 214.A N VAL 160.A O no hydrogen 3.069 N/A ARG 214.A NE THR 247.A O no hydrogen 2.887 N/A ARG 214.A NH2 THR 247.A O no hydrogen 3.250 N/A LEU 215.A N ASN 246.A O no hydrogen 2.823 N/A SER 216.A OG ASN 169.A OD1 no hydrogen 3.540 N/A SER 216.A OG ASP 219.A OD2 no hydrogen 2.658 N/A MET 217.A N GLY 248.A O no hydrogen 3.034 N/A LEU 220.A N GLY 541.A O no hydrogen 2.858 N/A GLY 224.A N VAL 221.A O no hydrogen 3.032 N/A GLY 225.A N ASP 219.A OD1 no hydrogen 2.806 N/A THR 226.A N GLU 229.A OE1 no hydrogen 2.932 N/A PHE 227.A N LEU 537.A O no hydrogen 2.862 N/A GLU 229.A N THR 226.A OG1 no hydrogen 3.322 N/A THR 230.A N THR 226.A O no hydrogen 2.964 N/A THR 230.A OG1 THR 226.A O no hydrogen 3.159 N/A VAL 231.A N PHE 227.A O no hydrogen 2.857 N/A GLU 232.A N ALA 228.A O no hydrogen 3.048 N/A LEU 233.A N GLU 229.A O no hydrogen 2.891 N/A ALA 234.A N THR 230.A O no hydrogen 2.956 N/A GLN 235.A N VAL 231.A O no hydrogen 3.055 N/A GLN 235.A NE2 HIS 278.A O no hydrogen 3.081 N/A ALA 236.A N GLU 232.A O no hydrogen 2.924 N/A ILE 237.A N LEU 233.A O no hydrogen 2.700 N/A GLU 238.A N ALA 234.A O no hydrogen 2.957 N/A ALA 239.A N GLN 235.A O no hydrogen 3.116 N/A ALA 240.A N ALA 236.A O no hydrogen 2.903 N/A GLY 241.A N GLU 238.A O no hydrogen 3.037 N/A ALA 242.A N ILE 237.A O no hydrogen 3.164 N/A THR 243.A N ILE 211.A O no hydrogen 2.684 N/A THR 243.A OG1 PHE 209.A O no hydrogen 3.515 N/A ILE 244.A N ILE 211.A O no hydrogen 3.053 N/A ILE 245.A N PRO 282.A O no hydrogen 3.215 N/A ASN 246.A N TYR 213.A O no hydrogen 2.826 N/A ASN 246.A ND2 GLU 159.A OE2 no hydrogen 3.220 N/A THR 247.A N ASN 246.A OD1 no hydrogen 2.773 N/A THR 247.A OG1 THR 272.A OG1 no hydrogen 2.572 N/A THR 247.A OG1 VAL 284.A O no hydrogen 2.618 N/A GLY 248.A N LEU 215.A O no hydrogen 2.741 N/A GLY 250.A N LEU 218.A O no hydrogen 2.583 N/A TRP 251.A NE1 ASP 219.A OD2 no hydrogen 2.982 N/A HIS 252.A N GLU 164.A O no hydrogen 3.410 N/A HIS 252.A NE2 TYR 166.A OH no hydrogen 2.716 N/A GLU 253.A N TYR 107.A OH no hydrogen 3.248 N/A ALA 254.A N TRP 251.A O no hydrogen 3.008 N/A ARG 255.A NE GLU 253.A O no hydrogen 3.056 N/A ARG 255.A NH2 ALA 254.A O no hydrogen 3.374 N/A THR 261.A OG1 ILE 335.A O no hydrogen 2.668 N/A VAL 263.A N ALA 260.A O no hydrogen 2.866 N/A ARG 265.A NE GLU 423.A OE2 no hydrogen 3.145 N/A ARG 265.A NH2 GLU 423.A OE1 no hydrogen 2.869 N/A GLY 266.A N ARG 288.A O no hydrogen 3.013 N/A ALA 267.A N PRO 264.A O no hydrogen 3.047 N/A SER 269.A N GLY 266.A O no hydrogen 3.281 N/A SER 269.A OG GLY 266.A O no hydrogen 3.227 N/A VAL 271.A N PHE 268.A O no hydrogen 3.132 N/A THR 272.A OG1 THR 247.A OG1 no hydrogen 2.572 N/A THR 272.A OG1 THR 285.A OG1 no hydrogen 3.032 N/A ARG 273.A N SER 269.A O no hydrogen 3.030 N/A ARG 273.A NH1 ARG 273.A O no hydrogen 2.942 N/A LYS 274.A N TRP 270.A O no hydrogen 3.191 N/A LYS 274.A N VAL 271.A O no hydrogen 3.074 N/A LEU 275.A N THR 272.A O no hydrogen 3.174 N/A LYS 276.A N ARG 273.A O no hydrogen 3.248 N/A HIS 278.A N LEU 275.A O no hydrogen 2.908 N/A SER 280.A N GLU 238.A OE1 no hydrogen 2.842 N/A LEU 283.A N ASP 305.A OD2 no hydrogen 2.821 N/A VAL 284.A N ILE 245.A O no hydrogen 3.011 N/A THR 285.A N MET 306.A O no hydrogen 3.023 N/A THR 285.A OG1 THR 272.A OG1 no hydrogen 3.032 N/A THR 286.A OG1 ASN 287.A OD1 no hydrogen 3.013 N/A ASN 287.A ND2 THR 258.A O no hydrogen 2.740 N/A ARG 288.A NH1 VAL 263.A O no hydrogen 3.024 N/A ARG 288.A NH1 GLU 423.A OE2 no hydrogen 3.167 N/A ARG 288.A NH2 GLU 423.A OE2 no hydrogen 2.939 N/A ASN 290.A ND2 CYS 334.A O no hydrogen 2.811 N/A GLN 293.A N ASP 291.A OD2 no hydrogen 2.732 N/A GLN 293.A NE2 ASP 297.A OD1 no hydrogen 2.857 N/A VAL 294.A N ASP 291.A OD2 no hydrogen 3.479 N/A ALA 295.A N ASP 291.A O no hydrogen 2.970 N/A ASP 296.A N PRO 292.A O no hydrogen 2.797 N/A ASP 297.A N GLN 293.A O no hydrogen 2.750 N/A ILE 298.A N VAL 294.A O no hydrogen 2.991 N/A LEU 299.A N ALA 295.A O no hydrogen 3.021 N/A SER 300.A N ASP 296.A O no hydrogen 2.735 N/A SER 300.A OG ASP 296.A O no hydrogen 3.346 N/A SER 300.A OG ASP 297.A O no hydrogen 3.236 N/A ARG 301.A N ASP 297.A O no hydrogen 2.877 N/A ARG 301.A NH2 ASP 303.A OD2 no hydrogen 3.112 N/A GLY 302.A N LEU 299.A O no hydrogen 2.976 N/A ASP 303.A N ILE 298.A O no hydrogen 2.939 N/A ASP 305.A N LEU 283.A O no hydrogen 2.902 N/A MET 306.A N LEU 283.A O no hydrogen 3.083 N/A VAL 307.A N ARG 19.A O no hydrogen 2.986 N/A SER 308.A N THR 285.A O no hydrogen 2.795 N/A MET 309.A N LEU 21.A O no hydrogen 3.072 N/A ARG 311.A NH1 ILE 259.A O no hydrogen 2.832 N/A ARG 311.A NH1 ASN 338.A OD1 no hydrogen 2.830 N/A ARG 311.A NH2 ILE 259.A O no hydrogen 2.768 N/A PHE 313.A N ALA 310.A O no hydrogen 2.896 N/A LEU 314.A N ARG 311.A O no hydrogen 2.829 N/A ALA 315.A N ARG 311.A O no hydrogen 3.058 N/A ASP 316.A N PRO 312.A O no hydrogen 2.998 N/A GLU 318.A N ASP 316.A OD2 no hydrogen 2.878 N/A LEU 319.A N ASP 316.A O no hydrogen 3.198 N/A SER 321.A OG HIS 49.A ND1 no hydrogen 2.701 N/A SER 321.A OG GLU 318.A O no hydrogen 3.112 N/A LYS 322.A N GLU 318.A O no hydrogen 3.035 N/A LYS 322.A NZ ASP 316.A OD1 no hydrogen 2.803 N/A LYS 322.A NZ GLU 330.A O no hydrogen 2.621 N/A ALA 323.A N LEU 319.A O no hydrogen 3.199 N/A GLN 324.A N LEU 320.A O no hydrogen 2.837 N/A SER 325.A N LYS 322.A O no hydrogen 3.120 N/A SER 325.A OG SER 321.A O no hydrogen 2.859 N/A SER 325.A OG LYS 322.A O no hydrogen 3.294 N/A GLY 326.A N ALA 323.A O no hydrogen 3.193 N/A ARG 327.A N LYS 322.A O no hydrogen 2.827 N/A ARG 327.A NE SER 325.A OG no hydrogen 2.937 N/A ARG 327.A NH1 GLU 330.A OE1 no hydrogen 3.090 N/A ARG 327.A NH2 SER 325.A OG no hydrogen 3.226 N/A GLU 330.A N ARG 327.A O no hydrogen 2.842 N/A ILE 331.A N ALA 328.A O no hydrogen 3.054 N/A ASN 332.A N ASP 316.A OD1 no hydrogen 2.954 N/A ASN 332.A ND2 VAL 355.A O no hydrogen 2.925 N/A THR 333.A OG1 ILE 331.A O no hydrogen 3.419 N/A ASN 338.A ND2 THR 574.A OG1 no hydrogen 3.077 N/A ASP 343.A N ASN 338.A O no hydrogen 2.832 N/A GLN 344.A NE2 VAL 350.A O no hydrogen 3.025 N/A ILE 345.A N CYS 341.A O no hydrogen 3.213 N/A PHE 346.A N LEU 342.A O no hydrogen 3.140 N/A VAL 347.A N GLN 344.A O no hydrogen 3.152 N/A GLY 348.A N ILE 345.A O no hydrogen 3.291 N/A LYS 349.A N GLN 344.A O no hydrogen 2.811 N/A THR 351.A N THR 27.A O no hydrogen 2.854 N/A SER 352.A N ALA 340.A O no hydrogen 2.841 N/A CYS 353.A N SER 352.A OG no hydrogen 2.781 N/A ASN 356.A N CYS 353.A O no hydrogen 3.179 N/A ASN 356.A ND2 LEU 314.A O no hydrogen 2.916 N/A ARG 358.A N ASN 356.A OD1 no hydrogen 3.248 N/A ARG 358.A NE MET 365.A O no hydrogen 2.784 N/A ARG 358.A NH2 GLU 362.A O no hydrogen 3.096 N/A ARG 358.A NH2 MET 365.A O no hydrogen 3.020 N/A ALA 359.A N ASN 356.A O no hydrogen 2.934 N/A CYS 360.A N GLU 362.A OE2 no hydrogen 3.365 N/A CYS 360.A SG THR 351.A OG1 no hydrogen 3.353 N/A HIS 361.A N ARG 358.A O no hydrogen 2.808 N/A HIS 361.A ND1 ALA 359.A O no hydrogen 2.823 N/A MET 365.A N GLU 362.A O no hydrogen 3.442 N/A GLN 372.A NE2 VAL 371.A O no hydrogen 2.492 N/A ASN 375.A N ASP 457.A OD2 no hydrogen 2.752 N/A LEU 376.A N GLN 398.A O no hydrogen 2.774 N/A ALA 377.A N GLU 458.A O no hydrogen 3.271 N/A VAL 378.A N THR 400.A O no hydrogen 3.089 N/A VAL 379.A N ILE 460.A O no hydrogen 3.100 N/A GLY 380.A N PHE 402.A O no hydrogen 2.855 N/A ALA 381.A N ASP 403.A OD2 no hydrogen 2.670 N/A LEU 386.A N GLY 382.A O no hydrogen 2.825 N/A ALA 387.A N PRO 383.A O no hydrogen 2.972 N/A PHE 388.A N ALA 384.A O no hydrogen 3.166 N/A ALA 389.A N GLY 385.A O no hydrogen 2.711 N/A ILE 390.A N LEU 386.A O no hydrogen 3.133 N/A ASN 391.A N ALA 387.A O no hydrogen 3.324 N/A ASN 391.A ND2 ALA 387.A O no hydrogen 2.824 N/A ALA 392.A N PHE 388.A O no hydrogen 2.799 N/A ALA 393.A N ALA 389.A O no hydrogen 2.952 N/A ALA 394.A N ILE 390.A O no hydrogen 3.097 N/A ARG 395.A N ALA 392.A O no hydrogen 3.068 N/A ARG 395.A NH2 ILE 671.A OXT no hydrogen 3.504 N/A GLY 396.A N ALA 393.A O no hydrogen 3.275 N/A HIS 397.A N ALA 392.A O no hydrogen 3.199 N/A HIS 397.A NE2 ILE 671.A OXT no hydrogen 2.966 N/A GLN 398.A N LYS 374.A O no hydrogen 3.022 N/A THR 400.A N LEU 376.A O no hydrogen 3.237 N/A LEU 401.A N THR 441.A O no hydrogen 3.002 N/A PHE 402.A N VAL 378.A O no hydrogen 2.984 N/A ASP 403.A N LYS 443.A O no hydrogen 3.182 N/A HIS 405.A N ASP 403.A OD1 no hydrogen 2.758 N/A GLY 409.A N ALA 381.A O no hydrogen 2.843 N/A PHE 412.A N GLY 409.A O no hydrogen 2.982 N/A ASN 413.A N GLY 410.A O no hydrogen 3.099 N/A ASN 413.A ND2 ILE 408.A O no hydrogen 3.022 N/A ASN 413.A ND2 GLY 410.A O no hydrogen 3.425 N/A ILE 414.A N GLN 411.A O no hydrogen 2.777 N/A ALA 415.A N GLN 411.A O no hydrogen 2.996 N/A LYS 416.A N PHE 412.A O no hydrogen 3.027 N/A LYS 416.A NZ GLU 407.A OE2 no hydrogen 3.542 N/A LYS 416.A NZ ASN 413.A OD1 no hydrogen 2.552 N/A GLN 417.A N ILE 414.A O no hydrogen 3.037 N/A GLN 417.A NE2 ASN 413.A O no hydrogen 2.775 N/A ILE 418.A N ALA 415.A O no hydrogen 2.863 N/A GLY 420.A N GLU 422.A OE1 no hydrogen 3.263 N/A LYS 421.A N ILE 418.A O no hydrogen 2.959 N/A LYS 421.A NZ ASP 508.A OD1 no hydrogen 2.605 N/A LYS 421.A NZ ASP 508.A OD2 no hydrogen 3.211 N/A PHE 424.A N LYS 421.A O no hydrogen 2.957 N/A TYR 425.A N GLU 422.A O no hydrogen 2.952 N/A GLU 426.A N GLU 423.A O no hydrogen 2.988 N/A LEU 428.A N PHE 424.A O no hydrogen 3.443 N/A ARG 429.A N TYR 425.A O no hydrogen 3.043 N/A ARG 429.A NH1 ASP 329.A O no hydrogen 2.625 N/A ARG 429.A NH1 ILE 331.A O no hydrogen 2.956 N/A ARG 429.A NH2 ILE 331.A O no hydrogen 3.266 N/A ARG 429.A NH2 GLU 426.A OE1 no hydrogen 2.972 N/A TYR 430.A N GLU 426.A O no hydrogen 2.837 N/A TYR 431.A N THR 427.A O no hydrogen 2.993 N/A ARG 432.A N LEU 428.A O no hydrogen 2.821 N/A ARG 433.A N ARG 429.A O no hydrogen 3.019 N/A ARG 433.A NE GLU 436.A OE1 no hydrogen 2.923 N/A ARG 433.A NH2 GLU 436.A OE1 no hydrogen 3.239 N/A MET 434.A N TYR 430.A O no hydrogen 2.828 N/A ILE 435.A N TYR 431.A O no hydrogen 2.924 N/A VAL 437.A N ARG 433.A O no hydrogen 3.004 N/A THR 438.A N MET 434.A O no hydrogen 2.866 N/A THR 438.A OG1 MET 434.A O no hydrogen 2.748 N/A GLY 439.A N ILE 435.A O no hydrogen 3.103 N/A GLY 439.A N GLU 436.A O no hydrogen 3.221 N/A VAL 440.A N ILE 435.A O no hydrogen 3.045 N/A THR 441.A N VAL 399.A O no hydrogen 3.062 N/A LYS 443.A N LEU 401.A O no hydrogen 2.895 N/A ASN 445.A N HIS 405.A O no hydrogen 3.050 N/A HIS 446.A N ASP 403.A O no hydrogen 3.066 N/A HIS 446.A ND1 LEU 444.A O no hydrogen 2.727 N/A ASP 457.A N ASN 375.A O no hydrogen 3.092 N/A THR 459.A N THR 642.A O no hydrogen 2.940 N/A ILE 460.A N ALA 377.A O no hydrogen 2.705 N/A LEU 461.A N HIS 644.A O no hydrogen 2.525 N/A ALA 462.A N VAL 379.A O no hydrogen 2.861 N/A SER 463.A OG ASN 629.A O no hydrogen 2.692 N/A VAL 466.A N GLU 627.A O no hydrogen 2.702 N/A ARG 468.A N GLY 625.A O no hydrogen 2.989 N/A ARG 468.A NE ALA 624.A O no hydrogen 2.775 N/A ILE 472.A N PRO 470.A O no hydrogen 2.742 N/A HIS 477.A N GLY 474.A O no hydrogen 3.152 N/A HIS 477.A NE2 ASP 601.A OD1 no hydrogen 2.935 N/A LYS 479.A N HIS 477.A ND1 no hydrogen 3.160 N/A LYS 479.A NZ VAL 617.A O no hydrogen 3.398 N/A VAL 480.A N HIS 477.A O no hydrogen 2.891 N/A LEU 481.A N VAL 620.A O no hydrogen 2.888 N/A SER 482.A N ASP 485.A OD2 no hydrogen 2.744 N/A SER 482.A OG ASP 485.A OD2 no hydrogen 2.634 N/A TYR 483.A N ILE 622.A O no hydrogen 3.188 N/A ASP 485.A N SER 482.A OG no hydrogen 3.157 N/A VAL 486.A N SER 482.A O no hydrogen 3.284 N/A LEU 487.A N TYR 483.A O no hydrogen 2.812 N/A ARG 488.A N LEU 484.A O no hydrogen 2.781 N/A ARG 488.A NE ASP 489.A OD1 no hydrogen 3.192 N/A ARG 488.A NE ASP 489.A OD2 no hydrogen 3.204 N/A ARG 488.A NH2 ASP 489.A OD2 no hydrogen 2.850 N/A ASP 489.A N LEU 484.A O no hydrogen 3.002 N/A LYS 490.A NZ GLN 417.A OE1 no hydrogen 2.467 N/A LYS 490.A NZ LEU 487.A O no hydrogen 2.876 N/A LYS 490.A NZ TYR 512.A OH no hydrogen 2.901 N/A ALA 491.A N ASP 485.A O no hydrogen 2.738 N/A LYS 496.A N ASP 618.A OD2 no hydrogen 2.712 N/A VAL 497.A N GLN 556.A O no hydrogen 2.903 N/A ALA 498.A N ASN 619.A O no hydrogen 3.031 N/A ILE 499.A N VAL 558.A O no hydrogen 2.728 N/A ILE 500.A N VAL 621.A O no hydrogen 2.942 N/A GLY 501.A N LEU 560.A O no hydrogen 2.763 N/A PHE 507.A N GLY 503.A O no hydrogen 3.031 N/A ASP 508.A N GLY 504.A O no hydrogen 3.137 N/A THR 509.A N ILE 505.A O no hydrogen 2.873 N/A THR 509.A OG1 ILE 505.A O no hydrogen 2.940 N/A ALA 510.A N GLY 506.A O no hydrogen 3.182 N/A MET 511.A N PHE 507.A O no hydrogen 2.948 N/A TYR 512.A N ASP 508.A O no hydrogen 2.986 N/A LEU 513.A N THR 509.A O no hydrogen 2.867 N/A SER 514.A N ALA 510.A O no hydrogen 3.016 N/A SER 514.A OG ALA 510.A O no hydrogen 2.697 N/A SER 514.A OG MET 511.A O no hydrogen 3.315 N/A GLN 515.A N TYR 512.A O no hydrogen 3.279 N/A GLN 515.A NE2 GLY 517.A O no hydrogen 3.220 N/A SER 519.A OG SER 521.A OG no hydrogen 2.800 N/A THR 520.A OG1 GLU 530.A OE2 no hydrogen 3.512 N/A SER 521.A N SER 519.A OG no hydrogen 3.081 N/A SER 521.A OG GLU 422.A OE2 no hydrogen 2.814 N/A SER 521.A OG SER 519.A OG no hydrogen 2.800 N/A ASN 523.A N THR 520.A O no hydrogen 3.284 N/A GLY 526.A N ASN 523.A OD1 no hydrogen 2.834 N/A PHE 527.A N ASN 523.A O no hydrogen 2.697 N/A CYS 528.A N ILE 524.A O no hydrogen 2.970 N/A CYS 528.A SG ILE 524.A O no hydrogen 3.352 N/A ASN 529.A N ALA 525.A O no hydrogen 2.883 N/A GLU 530.A N GLY 526.A O no hydrogen 2.799 N/A TRP 531.A N PHE 527.A O no hydrogen 3.101 N/A GLY 532.A N ASN 529.A O no hydrogen 3.377 N/A ILE 533.A N CYS 528.A O no hydrogen 2.859 N/A ASP 534.A N GLY 542.A O no hydrogen 2.799 N/A SER 536.A N ASP 534.A OD1 no hydrogen 2.975 N/A SER 536.A OG ASP 534.A OD1 no hydrogen 2.557 N/A SER 536.A OG ASP 534.A OD2 no hydrogen 2.969 N/A LEU 537.A N ASP 534.A O no hydrogen 2.824 N/A GLN 538.A N SER 536.A OG no hydrogen 3.395 N/A GLN 539.A N ASP 534.A OD2 no hydrogen 2.925 N/A GLY 541.A N GLY 225.A O no hydrogen 2.699 N/A GLY 542.A N GLN 539.A O no hydrogen 2.735 N/A SER 544.A N GLY 532.A O no hydrogen 2.817 N/A GLY 547.A N SER 544.A O no hydrogen 3.052 N/A GLN 549.A N GLU 530.A O no hydrogen 2.942 N/A GLN 549.A NE2 GLY 547.A O no hydrogen 3.258 N/A ARG 552.A NH2 SER 585.A O no hydrogen 2.511 N/A SER 553.A N ARG 586.A O no hydrogen 3.013 N/A SER 553.A OG ARG 555.A O no hydrogen 2.934 N/A ARG 555.A N SER 553.A OG no hydrogen 3.322 N/A GLN 556.A N ASN 495.A O no hydrogen 3.013 N/A VAL 558.A N VAL 497.A O no hydrogen 3.072 N/A MET 559.A N LYS 589.A O no hydrogen 2.528 N/A LEU 560.A N ILE 499.A O no hydrogen 2.706 N/A GLN 561.A N ILE 591.A O no hydrogen 3.238 N/A GLN 561.A NE2 LYS 563.A O no hydrogen 3.416 N/A GLN 569.A N LYS 566.A O no hydrogen 3.086 N/A LEU 571.A N GLY 568.A O no hydrogen 3.204 N/A THR 574.A N ASP 343.A OD1 no hydrogen 2.959 N/A THR 574.A OG1 ASP 343.A OD1 no hydrogen 2.811 N/A THR 575.A N GLY 572.A O no hydrogen 3.145 N/A GLY 576.A N GLY 572.A O no hydrogen 2.780 N/A ILE 578.A N THR 575.A O no hydrogen 2.991 N/A HIS 579.A N THR 575.A O no hydrogen 3.468 N/A ARG 580.A N GLY 576.A O no hydrogen 3.006 N/A THR 581.A N TRP 577.A O no hydrogen 2.904 N/A THR 581.A OG1 TRP 577.A O no hydrogen 2.786 N/A THR 582.A N ILE 578.A O no hydrogen 2.922 N/A THR 582.A OG1 ILE 578.A O no hydrogen 2.915 N/A LEU 583.A N HIS 579.A O no hydrogen 2.892 N/A LEU 584.A N ARG 580.A O no hydrogen 3.004 N/A SER 585.A N THR 581.A O no hydrogen 3.012 N/A SER 585.A OG THR 581.A O no hydrogen 2.931 N/A ARG 586.A N THR 582.A O no hydrogen 3.119 N/A ARG 586.A N LEU 583.A O no hydrogen 3.023 N/A ARG 586.A NH1 MET 511.A O no hydrogen 3.123 N/A ARG 586.A NH1 SER 514.A OG no hydrogen 2.959 N/A ARG 586.A NH1 GLN 515.A OE1 no hydrogen 3.183 N/A ARG 586.A NH2 GLN 515.A OE1 no hydrogen 2.925 N/A GLY 587.A N LEU 584.A O no hydrogen 3.239 N/A VAL 588.A N LEU 583.A O no hydrogen 3.135 N/A LYS 589.A N ILE 557.A O no hydrogen 2.763 N/A ILE 591.A N MET 559.A O no hydrogen 2.769 N/A GLY 593.A N LYS 563.A O no hydrogen 2.915 N/A VAL 594.A N GLN 561.A O no hydrogen 3.020 N/A SER 595.A N VAL 607.A O no hydrogen 3.212 N/A GLN 597.A N HIS 605.A O no hydrogen 2.730 N/A LYS 598.A N HIS 605.A O no hydrogen 3.318 N/A ILE 599.A N ASP 473.A O no hydrogen 2.917 N/A ASP 600.A N GLY 603.A O no hydrogen 2.978 N/A ASP 602.A N ASP 600.A OD1 no hydrogen 2.751 N/A GLY 603.A N ASP 600.A O no hydrogen 2.652 N/A LEU 604.A N LEU 615.A O no hydrogen 3.008 N/A HIS 605.A N LYS 598.A O no hydrogen 2.858 N/A HIS 605.A NE2 ASP 600.A OD1 no hydrogen 2.694 N/A HIS 605.A NE2 ASP 600.A OD2 no hydrogen 2.491 N/A VAL 606.A N GLN 613.A O no hydrogen 2.779 N/A VAL 607.A N SER 595.A O no hydrogen 2.837 N/A ILE 608.A N GLU 611.A O no hydrogen 2.861 N/A GLU 611.A N ILE 608.A O no hydrogen 2.889 N/A GLN 613.A N VAL 606.A O no hydrogen 2.735 N/A LEU 615.A N LEU 604.A O no hydrogen 2.746 N/A VAL 617.A N LEU 615.A O no hydrogen 2.577 N/A ASP 618.A N LYS 496.A O no hydrogen 2.817 N/A ASN 619.A N LYS 496.A O no hydrogen 3.238 N/A VAL 620.A N LYS 479.A O no hydrogen 2.947 N/A VAL 621.A N ALA 498.A O no hydrogen 2.877 N/A ILE 622.A N LEU 481.A O no hydrogen 2.817 N/A CYS 623.A N ILE 500.A O no hydrogen 2.835 N/A CYS 623.A SG THR 509.A OG1 no hydrogen 3.456 N/A GLN 626.A NE2 GLN 411.A OE1 no hydrogen 3.000 N/A GLN 626.A NE2 TYR 483.A OH no hydrogen 3.308 N/A GLU 627.A N VAL 466.A O no hydrogen 2.975 N/A ASN 629.A N GLY 464.A O no hydrogen 3.349 N/A ARG 630.A NH2 ASP 650.A O no hydrogen 3.131 N/A ALA 633.A N ARG 630.A O no hydrogen 2.724 N/A GLN 634.A NE2 ASP 638.A OD2 no hydrogen 3.195 N/A LEU 636.A N LEU 632.A O no hydrogen 3.245 N/A ASP 638.A N GLN 634.A O no hydrogen 2.645 N/A SER 639.A OG PRO 635.A O no hydrogen 2.545 N/A GLY 640.A N ILE 637.A O no hydrogen 3.347 N/A LYS 641.A N LEU 636.A O no hydrogen 3.192 N/A HIS 644.A N THR 459.A O no hydrogen 2.826 N/A ILE 646.A N LEU 461.A O no hydrogen 2.966 N/A CYS 649.A SG LEU 461.A O no hydrogen 3.129 N/A CYS 649.A SG ILE 646.A O no hydrogen 3.528 N/A ASP 650.A N GLY 647.A O no hydrogen 3.099 N/A VAL 651.A N GLY 647.A O no hydrogen 3.367 N/A ARG 658.A N ASP 656.A OD1 no hydrogen 2.768 N/A ARG 658.A NE GLN 344.A OE1 no hydrogen 2.745 N/A ARG 658.A NH2 GLN 344.A OE1 no hydrogen 2.768 N/A ARG 659.A N ASP 656.A OD1 no hydrogen 3.350 N/A ARG 659.A NH1 GLU 654.A O no hydrogen 3.339 N/A ALA 660.A N ASP 656.A O no hydrogen 3.267 N/A ILE 661.A N ALA 657.A O no hydrogen 2.893 N/A ALA 662.A N ARG 658.A O no hydrogen 2.863 N/A GLN 663.A N ARG 659.A O no hydrogen 2.902 N/A GLN 663.A NE2 LEU 645.A O no hydrogen 3.470 N/A GLY 664.A N ALA 660.A O no hydrogen 3.015 N/A THR 665.A N ILE 661.A O no hydrogen 2.792 N/A THR 665.A OG1 ILE 661.A O no hydrogen 2.683 N/A ARG 666.A N ALA 662.A O no hydrogen 2.851 N/A LEU 667.A N GLN 663.A O no hydrogen 2.957 N/A ALA 668.A N GLY 664.A O no hydrogen 2.942 N/A LEU 669.A N THR 665.A O no hydrogen 3.076 N/A GLU 670.A N LEU 667.A O no hydrogen 2.877 N/A ILE 671.A N LEU 667.A O no hydrogen 2.869 N/A