Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ggy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N GLY 2.A O no hydrogen 2.712 N/A ARG 4.A NH1 ARG 4.A O no hydrogen 3.096 N/A ASN 10.A ND2 ILE 87.A O no hydrogen 3.184 N/A ASN 13.A N ASP 225.A OD1 no hydrogen 2.891 N/A ASN 13.A ND2 ASN 13.A O no hydrogen 2.549 N/A ASN 13.A ND2 LYS 138.A O no hydrogen 3.013 N/A ALA 14.A N ASP 225.A OD2 no hydrogen 3.217 N/A GLU 23.A N VAL 151.A O no hydrogen 3.155 N/A ASN 28.A N SER 71.A OG no hydrogen 2.991 N/A ASN 28.A ND2 LEU 27.A O no hydrogen 2.869 N/A THR 30.A N ASP 69.A O no hydrogen 2.619 N/A THR 30.A OG1 ASP 69.A O no hydrogen 2.837 N/A SER 31.A N ASP 69.A O no hydrogen 3.392 N/A SER 31.A OG HIS 33.A NE2 no hydrogen 3.385 N/A HIS 33.A N GLN 67.A O no hydrogen 2.667 N/A LYS 36.A NZ ASN 54.A O no hydrogen 3.218 N/A LYS 36.A NZ GLU 159.A OE1 no hydrogen 3.110 N/A ARG 38.A NE ASP 49.A O no hydrogen 2.823 N/A ARG 38.A NH1 GLU 52.A OE1 no hydrogen 3.138 N/A ARG 38.A NH1 GLU 52.A OE2 no hydrogen 3.457 N/A ARG 38.A NH2 ASP 49.A O no hydrogen 3.060 N/A ARG 38.A NH2 GLU 52.A OE2 no hydrogen 3.315 N/A ASP 40.A N GLU 37.A O no hydrogen 2.701 N/A THR 41.A OG1 ASP 45.A OD1 no hydrogen 3.372 N/A ASN 42.A ND2 TYR 65.A O no hydrogen 2.976 N/A LYS 43.A NZ LYS 55.A O no hydrogen 2.893 N/A VAL 44.A N ASP 40.A O no hydrogen 3.109 N/A ASP 45.A N THR 41.A O no hydrogen 2.817 N/A HIS 46.A N ASN 42.A O no hydrogen 3.029 N/A HIS 46.A NE2 SER 63.A O no hydrogen 2.810 N/A HIS 47.A N VAL 44.A O no hydrogen 2.853 N/A THR 48.A N LYS 43.A O no hydrogen 2.965 N/A THR 48.A OG1 ILE 57.A O no hydrogen 2.589 N/A TYR 51.A OH CYS 309.A O no hydrogen 2.479 N/A GLU 52.A N PHE 212.A O no hydrogen 2.759 N/A ASN 53.A ND2 TYR 163.A OH no hydrogen 3.399 N/A LYS 55.A N ASN 53.A OD1 no hydrogen 3.031 N/A LYS 55.A NZ PRO 158.A O no hydrogen 3.568 N/A VAL 58.A N TYR 163.A O no hydrogen 3.038 N/A ARG 59.A N HIS 46.A ND1 no hydrogen 3.300 N/A ARG 59.A NE HIS 46.A O no hydrogen 3.004 N/A ARG 59.A NH1 PHE 166.A O no hydrogen 3.124 N/A ARG 59.A NH2 HIS 47.A O no hydrogen 3.330 N/A ARG 60.A N LEU 165.A O no hydrogen 2.950 N/A ARG 60.A NE ASP 173.A OD1 no hydrogen 3.398 N/A ARG 60.A NE ASP 173.A OD2 no hydrogen 2.912 N/A ARG 60.A NH1 CYS 134.A O no hydrogen 2.473 N/A ARG 60.A NH1 GLY 235.A O no hydrogen 3.027 N/A ARG 60.A NH2 ASP 173.A OD1 no hydrogen 2.840 N/A ARG 60.A NH2 GLY 235.A O no hydrogen 3.158 N/A GLY 61.A N SER 130.A OG no hydrogen 2.937 N/A PHE 64.A N ILE 128.A O no hydrogen 2.793 N/A TYR 65.A N ASN 42.A OD1 no hydrogen 3.060 N/A VAL 66.A N LEU 126.A O no hydrogen 3.193 N/A GLN 67.A N HIS 33.A O no hydrogen 2.679 N/A GLN 67.A NE2 ASP 69.A OD1 no hydrogen 3.445 N/A ILE 68.A N VAL 124.A O no hydrogen 3.008 N/A ASP 69.A N SER 31.A O no hydrogen 2.714 N/A PHE 70.A N ARG 122.A O no hydrogen 3.104 N/A SER 71.A N ASN 28.A O no hydrogen 2.580 N/A SER 71.A OG ASN 28.A O no hydrogen 3.020 N/A ARG 72.A NH1 ASP 79.A OD2 no hydrogen 3.180 N/A ARG 72.A NH2 ASP 79.A OD1 no hydrogen 2.692 N/A ARG 72.A NH2 ASP 79.A OD2 no hydrogen 3.097 N/A ASP 75.A N ASP 79.A OD2 no hydrogen 2.830 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 3.081 N/A ARG 78.A NH1 ASP 75.A OD2 no hydrogen 3.119 N/A ARG 82.A N ALA 144.A O no hydrogen 2.915 N/A VAL 83.A N VAL 101.A O no hydrogen 3.212 N/A GLU 84.A N TYR 142.A O no hydrogen 3.219 N/A TYR 85.A N ILE 99.A O no hydrogen 2.756 N/A VAL 86.A N ARG 140.A O no hydrogen 2.996 N/A ILE 87.A N THR 97.A O no hydrogen 3.062 N/A TYR 90.A N ASN 10.A OD1 no hydrogen 3.089 N/A GLN 92.A N THR 97.A OG1 no hydrogen 3.117 N/A LYS 95.A N GLN 92.A O no hydrogen 2.806 N/A GLY 96.A N GLU 93.A O no hydrogen 3.358 N/A THR 97.A N GLN 92.A O no hydrogen 3.260 N/A THR 97.A OG1 GLN 92.A O no hydrogen 3.426 N/A TYR 98.A OH GLU 84.A OE2 no hydrogen 2.583 N/A ILE 99.A N TYR 85.A O no hydrogen 2.843 N/A VAL 101.A N VAL 83.A O no hydrogen 2.574 N/A VAL 104.A N ALA 114.A O no hydrogen 3.011 N/A GLY 113.A N GLN 129.A O no hydrogen 3.243 N/A ALA 114.A N PRO 102.A O no hydrogen 3.145 N/A LYS 115.A N SER 127.A O no hydrogen 3.041 N/A LYS 115.A NZ GLU 106.A OE1 no hydrogen 3.461 N/A LYS 115.A NZ GLU 106.A OE2 no hydrogen 2.841 N/A VAL 117.A N ARG 125.A O no hydrogen 2.821 N/A ARG 119.A NH2 TYR 74.A O no hydrogen 2.672 N/A GLU 120.A N SER 123.A O no hydrogen 2.951 N/A ARG 122.A NE ASP 121.A OD1 no hydrogen 3.299 N/A ARG 122.A NH1 SER 71.A O no hydrogen 3.565 N/A ARG 122.A NH2 ASP 121.A OD1 no hydrogen 3.197 N/A SER 123.A N GLU 120.A O no hydrogen 3.320 N/A SER 123.A OG ASP 69.A OD1 no hydrogen 2.929 N/A VAL 124.A N ILE 68.A O no hydrogen 2.924 N/A ARG 125.A N MET 118.A O no hydrogen 2.675 N/A ARG 125.A NH1 GLN 67.A OE1 no hydrogen 3.536 N/A LEU 126.A N VAL 66.A O no hydrogen 2.832 N/A SER 127.A N LYS 115.A O no hydrogen 3.046 N/A ILE 128.A N PHE 64.A O no hydrogen 2.825 N/A GLN 129.A N GLY 113.A O no hydrogen 2.960 N/A GLN 129.A NE2 GLN 108.A O no hydrogen 3.043 N/A GLN 129.A NE2 LYS 111.A O no hydrogen 3.678 N/A SER 131.A OG GLY 110.A O no hydrogen 3.471 N/A LYS 133.A N SER 131.A OG no hydrogen 3.325 N/A CYS 134.A N SER 131.A O no hydrogen 3.107 N/A CYS 134.A SG ILE 135.A O no hydrogen 3.426 N/A GLY 137.A N ILE 164.A O no hydrogen 3.095 N/A LYS 138.A N ASN 13.A OD1 no hydrogen 2.862 N/A PHE 139.A N THR 162.A O no hydrogen 2.737 N/A ARG 140.A N VAL 86.A O no hydrogen 2.841 N/A ARG 140.A NE TYR 142.A OH no hydrogen 3.525 N/A ARG 140.A NH1 ASP 17.A OD1 no hydrogen 3.404 N/A ARG 140.A NH1 GLY 88.A O no hydrogen 3.112 N/A ARG 140.A NH2 ASP 17.A OD1 no hydrogen 2.708 N/A ARG 140.A NH2 TYR 142.A OH no hydrogen 3.474 N/A TYR 142.A N GLU 84.A O no hydrogen 2.902 N/A VAL 143.A N THR 154.A OG1 no hydrogen 2.698 N/A ALA 144.A N ARG 82.A O no hydrogen 2.879 N/A VAL 145.A N LEU 152.A O no hydrogen 2.676 N/A TRP 146.A N LEU 80.A O no hydrogen 3.251 N/A THR 147.A N GLY 150.A O no hydrogen 2.844 N/A THR 147.A OG1 GLY 150.A O no hydrogen 3.086 N/A TYR 149.A N THR 147.A OG1 no hydrogen 3.030 N/A VAL 151.A N GLU 23.A O no hydrogen 3.058 N/A LEU 152.A N VAL 145.A O no hydrogen 2.700 N/A ARG 153.A N THR 21.A O no hydrogen 2.747 N/A ARG 153.A NE GLU 84.A OE1 no hydrogen 2.543 N/A ARG 153.A NE GLU 84.A OE2 no hydrogen 3.303 N/A ARG 153.A NH1 PRO 20.A O no hydrogen 2.784 N/A ARG 153.A NH1 GLU 23.A OE1 no hydrogen 3.402 N/A ARG 153.A NH2 GLU 84.A OE2 no hydrogen 2.958 N/A THR 154.A N VAL 143.A O no hydrogen 2.992 N/A ARG 156.A NH2 ASP 161.A OD1 no hydrogen 2.526 N/A ARG 156.A NH2 ASP 161.A OD2 no hydrogen 3.443 N/A THR 160.A N ASN 157.A O no hydrogen 3.398 N/A THR 160.A OG1 ASN 157.A O no hydrogen 2.558 N/A ASP 161.A N PRO 158.A O no hydrogen 3.023 N/A THR 162.A N PHE 139.A O no hydrogen 2.808 N/A THR 162.A OG1 THR 160.A O no hydrogen 2.716 N/A TYR 163.A N LEU 56.A O no hydrogen 3.069 N/A TYR 163.A OH ASP 218.A OD2 no hydrogen 2.770 N/A ILE 164.A N GLY 137.A O no hydrogen 2.985 N/A LEU 165.A N VAL 58.A O no hydrogen 2.948 N/A PHE 166.A N LEU 310.A O no hydrogen 2.987 N/A ASN 167.A N ASP 173.A OD2 no hydrogen 3.123 N/A ASN 167.A ND2 ARG 60.A O no hydrogen 2.999 N/A ASN 167.A ND2 GLN 62.A OE1 no hydrogen 3.156 N/A TRP 169.A N ASN 167.A OD1 no hydrogen 2.875 N/A TRP 169.A NE1 GLU 180.A OE1 no hydrogen 2.807 N/A TRP 169.A NE1 GLU 180.A OE2 no hydrogen 3.233 N/A CYS 170.A N ASN 167.A O no hydrogen 3.243 N/A CYS 170.A SG GLY 61.A O no hydrogen 3.898 N/A ASP 173.A N CYS 170.A O no hydrogen 3.115 N/A VAL 175.A N ASP 173.A OD1 no hydrogen 3.381 N/A TYR 176.A N ASP 173.A O no hydrogen 3.225 N/A LEU 177.A N PRO 168.A O no hydrogen 2.795 N/A LYS 181.A N ASN 179.A OD1 no hydrogen 2.773 N/A GLU 182.A N ASN 179.A OD1 no hydrogen 3.147 N/A ARG 183.A N ASN 179.A O no hydrogen 3.043 N/A ARG 183.A NE PRO 168.A O no hydrogen 3.253 N/A ARG 183.A NE LEU 177.A O no hydrogen 2.581 N/A GLU 184.A N GLU 180.A O no hydrogen 2.876 N/A GLU 185.A N LYS 181.A O no hydrogen 2.700 N/A TYR 186.A N GLU 182.A O no hydrogen 2.679 N/A VAL 187.A N ARG 183.A O no hydrogen 2.812 N/A LEU 188.A N ARG 183.A O no hydrogen 3.234 N/A ASN 189.A N GLU 184.A O no hydrogen 2.813 N/A ASN 189.A ND2 GLU 185.A OE1 no hydrogen 3.389 N/A ASN 189.A ND2 GLU 185.A OE2 no hydrogen 3.442 N/A ILE 191.A N ASN 189.A OD1 no hydrogen 2.873 N/A GLY 192.A N TRP 207.A O no hydrogen 2.761 N/A ILE 194.A N ARG 205.A O no hydrogen 2.844 N/A TYR 196.A N LYS 203.A O no hydrogen 2.708 N/A GLU 198.A N ASP 201.A O no hydrogen 3.213 N/A ASN 200.A N GLU 198.A OE1 no hydrogen 3.157 N/A ASP 201.A N GLU 198.A O no hydrogen 2.694 N/A LYS 203.A N TYR 196.A O no hydrogen 2.826 N/A LYS 203.A NZ ASP 201.A OD1 no hydrogen 2.744 N/A LYS 203.A NZ ASP 201.A OD2 no hydrogen 2.964 N/A ARG 205.A NH1 SER 206.A O no hydrogen 3.030 N/A ARG 205.A NH1 TRP 274.A O no hydrogen 3.138 N/A ARG 205.A NH2 TRP 274.A O no hydrogen 2.624 N/A SER 206.A OG GLU 695.A OE1 no hydrogen 3.026 N/A TRP 207.A N GLY 192.A O no hydrogen 2.580 N/A TRP 207.A NE1 SER 277.A OG no hydrogen 2.964 N/A SER 208.A N THR 275.A O no hydrogen 2.964 N/A TYR 209.A N ASP 190.A O no hydrogen 2.966 N/A GLY 210.A N ASP 190.A O no hydrogen 3.157 N/A GLN 211.A N GLN 211.A OE1 no hydrogen 2.672 N/A GLN 211.A NE2 VAL 187.A O no hydrogen 3.232 N/A GLN 211.A NE2 ASN 189.A O no hydrogen 2.676 N/A GLU 213.A N GLY 210.A O no hydrogen 3.265 N/A ILE 216.A N GLU 213.A O no hydrogen 3.121 N/A THR 219.A N GLY 215.A O no hydrogen 3.134 N/A THR 219.A N ILE 216.A O no hydrogen 2.925 N/A THR 219.A OG1 GLY 215.A O no hydrogen 2.914 N/A THR 219.A OG1 ILE 216.A O no hydrogen 2.753 N/A CYS 220.A N ILE 216.A O no hydrogen 2.898 N/A CYS 220.A SG ILE 216.A O no hydrogen 3.085 N/A LEU 221.A N LEU 217.A O no hydrogen 3.342 N/A TYR 222.A N ASP 218.A O no hydrogen 3.251 N/A TYR 222.A OH GLU 288.A OE1 no hydrogen 2.937 N/A VAL 223.A N THR 219.A O no hydrogen 2.837 N/A MET 224.A N CYS 220.A O no hydrogen 3.355 N/A ASP 225.A N LEU 221.A O no hydrogen 2.807 N/A ARG 226.A N TYR 222.A O no hydrogen 2.845 N/A ARG 226.A NH1 TYR 222.A OH no hydrogen 3.267 N/A ARG 226.A NH1 GLU 288.A O no hydrogen 3.133 N/A ALA 227.A N VAL 223.A O no hydrogen 2.886 N/A GLN 228.A N ASP 225.A O no hydrogen 2.972 N/A MET 229.A N MET 224.A O no hydrogen 3.200 N/A LEU 231.A N ASN 10.A O no hydrogen 2.900 N/A SER 232.A OG LYS 95.A O no hydrogen 3.347 N/A SER 232.A OG ASP 230.A OD2 no hydrogen 3.240 N/A GLY 233.A N ASP 230.A O no hydrogen 2.791 N/A ARG 234.A N LEU 231.A O no hydrogen 2.782 N/A ARG 234.A NE MET 229.A O no hydrogen 3.193 N/A ARG 234.A NH1 ASP 225.A OD1 no hydrogen 2.821 N/A ARG 234.A NH2 ASP 225.A OD1 no hydrogen 2.949 N/A ARG 234.A NH2 MET 229.A O no hydrogen 2.756 N/A ASN 236.A N GLY 233.A O no hydrogen 3.051 N/A VAL 240.A N ASN 236.A O no hydrogen 2.899 N/A SER 241.A N PRO 237.A O no hydrogen 2.894 N/A SER 241.A OG PRO 237.A O no hydrogen 2.807 N/A SER 241.A OG ILE 238.A O no hydrogen 2.913 N/A ARG 242.A N ILE 238.A O no hydrogen 2.848 N/A ARG 242.A NH1 ASP 409.A OD2 no hydrogen 2.844 N/A VAL 243.A N LYS 239.A O no hydrogen 3.104 N/A GLY 244.A N VAL 240.A O no hydrogen 2.744 N/A SER 245.A N SER 241.A O no hydrogen 2.747 N/A SER 245.A OG SER 241.A O no hydrogen 2.843 N/A MET 247.A N GLY 244.A O no hydrogen 2.862 N/A ALA 250.A N LEU 257.A O no hydrogen 2.635 N/A LYS 251.A NZ MET 388.A O no hydrogen 2.723 N/A GLU 254.A N LYS 251.A O no hydrogen 3.320 N/A VAL 256.A N MET 247.A O no hydrogen 2.811 N/A LEU 257.A N VAL 248.A O no hydrogen 2.781 N/A VAL 258.A N VAL 291.A O no hydrogen 2.906 N/A SER 260.A N GLY 294.A O no hydrogen 3.008 N/A SER 260.A OG ASP 262.A OD1 no hydrogen 2.569 N/A TRP 261.A NE1 TYR 535.A OH no hydrogen 3.093 N/A ASN 263.A ND2 ASN 263.A O no hydrogen 2.617 N/A TYR 265.A N ASP 262.A OD2 no hydrogen 3.346 N/A TYR 265.A OH GLU 575.A OE1 no hydrogen 2.952 N/A TYR 265.A OH GLU 575.A OE2 no hydrogen 2.501 N/A TYR 267.A N TYR 293.A OH no hydrogen 3.262 N/A GLY 268.A N TYR 265.A O no hydrogen 3.301 N/A VAL 269.A N ARG 292.A O no hydrogen 3.027 N/A SER 272.A OG HIS 691.A ND1 no hydrogen 2.738 N/A ALA 273.A N PRO 270.A O no hydrogen 2.655 N/A TRP 274.A NE1 TYR 293.A O no hydrogen 2.942 N/A THR 275.A OG1 ASP 643.A OD2 no hydrogen 2.877 N/A SER 277.A N SER 208.A O no hydrogen 2.821 N/A SER 277.A OG GLY 301.A O no hydrogen 2.759 N/A SER 277.A OG THR 305.A OG1 no hydrogen 2.921 N/A LEU 281.A N SER 277.A O no hydrogen 3.123 N/A LEU 282.A N VAL 278.A O no hydrogen 2.960 N/A GLU 283.A N ASP 279.A O no hydrogen 2.635 N/A TYR 284.A N ILE 280.A O no hydrogen 2.751 N/A ARG 285.A N LEU 281.A O no hydrogen 2.859 N/A SER 286.A N LEU 282.A O no hydrogen 3.083 N/A SER 286.A OG LEU 282.A O no hydrogen 2.837 N/A SER 287.A N GLU 283.A O no hydrogen 2.844 N/A SER 287.A OG GLU 283.A O no hydrogen 2.572 N/A SER 287.A OG TYR 284.A O no hydrogen 3.561 N/A SER 287.A OG ASN 289.A O no hydrogen 3.120 N/A GLU 288.A N TYR 284.A O no hydrogen 2.795 N/A VAL 291.A N VAL 256.A O no hydrogen 2.651 N/A TYR 293.A N VAL 269.A O no hydrogen 3.114 N/A GLY 294.A N VAL 258.A O no hydrogen 2.736 N/A GLN 295.A NE2 SER 260.A O no hydrogen 3.094 N/A GLN 295.A NE2 GLU 575.A OE2 no hydrogen 3.531 N/A CYS 296.A SG TYR 535.A OH no hydrogen 3.565 N/A PHE 299.A N GLN 295.A O no hydrogen 2.924 N/A ALA 300.A N CYS 296.A O no hydrogen 2.948 N/A GLY 301.A N TRP 297.A O no hydrogen 2.952 N/A VAL 302.A N VAL 298.A O no hydrogen 3.112 N/A PHE 303.A N PHE 299.A O no hydrogen 2.910 N/A ASN 304.A N ALA 300.A O no hydrogen 2.919 N/A THR 305.A N GLY 301.A O no hydrogen 3.104 N/A THR 305.A N VAL 302.A O no hydrogen 3.093 N/A THR 305.A OG1 TYR 209.A O no hydrogen 2.592 N/A THR 305.A OG1 SER 277.A OG no hydrogen 2.921 N/A THR 305.A OG1 GLY 301.A O no hydrogen 3.414 N/A PHE 306.A N VAL 302.A O no hydrogen 3.062 N/A LEU 307.A N PHE 303.A O no hydrogen 2.973 N/A ARG 308.A N ASN 304.A O no hydrogen 3.499 N/A ARG 308.A NE ALA 314.A O no hydrogen 3.316 N/A ARG 308.A NH1 ASN 189.A O no hydrogen 2.620 N/A ARG 308.A NH2 ALA 314.A O no hydrogen 3.278 N/A CYS 309.A N THR 305.A O no hydrogen 2.857 N/A CYS 309.A SG GLN 211.A O no hydrogen 3.632 N/A GLY 311.A N ARG 308.A O no hydrogen 3.009 N/A ILE 312.A N LEU 307.A O no hydrogen 2.862 N/A ARG 315.A N GLU 359.A O no hydrogen 2.834 N/A ARG 315.A NE GLU 359.A OE1 no hydrogen 2.812 N/A ARG 315.A NH2 GLU 359.A OE1 no hydrogen 2.983 N/A VAL 317.A N TRP 357.A O no hydrogen 2.817 N/A THR 318.A N VAL 447.A O no hydrogen 3.093 N/A THR 318.A OG1 PHE 195.A O no hydrogen 3.184 N/A ASN 319.A N HIS 355.A O no hydrogen 2.707 N/A ASN 319.A ND2 LEU 445.A O no hydrogen 3.503 N/A TYR 320.A N LEU 445.A O no hydrogen 3.044 N/A TYR 320.A OH TYR 196.A O no hydrogen 2.540 N/A PHE 321.A N ASN 353.A O no hydrogen 3.123 N/A SER 322.A N TRP 352.A O no hydrogen 2.993 N/A SER 322.A OG GLU 416.A OE1 no hydrogen 3.051 N/A ALA 323.A N GLU 416.A O no hydrogen 3.265 N/A HIS 324.A N SER 322.A O no hydrogen 2.767 N/A HIS 324.A NE2 PRO 381.A O no hydrogen 2.898 N/A ASN 326.A ND2 ALA 323.A O no hydrogen 2.956 N/A ASN 326.A ND2 PHE 412.A O no hydrogen 3.047 N/A ALA 328.A N ASN 326.A OD1 no hydrogen 3.006 N/A ASN 329.A N ASN 326.A O no hydrogen 2.737 N/A ASN 329.A ND2 ASN 326.A O no hydrogen 3.197 N/A LEU 330.A N LYS 485.A O no hydrogen 2.663 N/A GLN 331.A NE2 LEU 488.A O no hydrogen 3.339 N/A MET 332.A N ASP 420.A O no hydrogen 2.775 N/A ILE 334.A N ILE 422.A O no hydrogen 3.077 N/A PHE 335.A N THR 347.A OG1 no hydrogen 2.888 N/A LEU 336.A N ILE 424.A O no hydrogen 2.641 N/A GLY 340.A N GLU 337.A O no hydrogen 3.149 N/A ASN 341.A ND2 ASP 339.A OD1 no hydrogen 2.887 N/A ASN 343.A N PHE 335.A O no hydrogen 2.685 N/A LYS 345.A N ASN 343.A OD1 no hydrogen 2.668 N/A LEU 346.A N ASN 343.A OD1 no hydrogen 3.251 N/A THR 347.A N ASN 343.A O no hydrogen 2.984 N/A THR 347.A OG1 PHE 335.A O no hydrogen 3.347 N/A THR 347.A OG1 ASN 343.A O no hydrogen 2.649 N/A TRP 352.A N SER 322.A O no hydrogen 3.331 N/A ASN 353.A N TYR 535.A O no hydrogen 2.644 N/A TYR 354.A OH GLN 576.A OE1 no hydrogen 2.964 N/A HIS 355.A N ASN 319.A O no hydrogen 2.800 N/A HIS 355.A NE2 THR 380.A OG1 no hydrogen 3.126 N/A CYS 356.A SG THR 318.A OG1 no hydrogen 3.442 N/A TRP 357.A N VAL 317.A O no hydrogen 2.823 N/A TRP 357.A NE1 TYR 463.A OH no hydrogen 2.739 N/A ASN 358.A ND2 ALA 300.A O no hydrogen 3.130 N/A ASN 358.A ND2 ASN 304.A OD1 no hydrogen 3.061 N/A GLU 359.A N ARG 315.A O no hydrogen 2.699 N/A ALA 360.A N GLN 375.A O no hydrogen 3.019 N/A TRP 361.A N PRO 313.A O no hydrogen 2.833 N/A TRP 361.A NE1 TYR 176.A O no hydrogen 2.942 N/A MET 362.A N GLY 373.A O no hydrogen 2.927 N/A ARG 364.A NE GLN 375.A OE1 no hydrogen 2.781 N/A ARG 364.A NH1 ASP 366.A OD1 no hydrogen 2.678 N/A ARG 364.A NH2 GLN 407.A O no hydrogen 2.651 N/A GLY 373.A N MET 362.A O no hydrogen 2.793 N/A GLN 375.A N ALA 360.A O no hydrogen 2.901 N/A GLN 375.A NE2 PHE 371.A O no hydrogen 3.098 N/A ALA 376.A N ALA 394.A O no hydrogen 2.783 N/A VAL 377.A N ASN 358.A O no hydrogen 2.854 N/A ASP 378.A N CYS 391.A O no hydrogen 3.330 N/A THR 380.A N ASP 378.A OD1 no hydrogen 3.078 N/A THR 380.A OG1 HIS 355.A NE2 no hydrogen 3.126 N/A THR 380.A OG1 ASP 378.A OD1 no hydrogen 3.244 N/A GLN 382.A N TYR 389.A O no hydrogen 3.131 N/A ASN 384.A ND2 ARG 390.A O no hydrogen 3.189 N/A SER 385.A OG ASP 386.A OD1 no hydrogen 3.391 N/A ASP 386.A N ASN 384.A OD1 no hydrogen 2.869 N/A GLY 387.A N ASN 384.A O no hydrogen 2.744 N/A TYR 389.A N GLN 382.A O no hydrogen 3.045 N/A ARG 390.A NE ARG 242.A O no hydrogen 2.836 N/A ARG 390.A NH1 ARG 390.A O no hydrogen 3.027 N/A ARG 390.A NH2 ARG 242.A O no hydrogen 3.530 N/A CYS 391.A N ASP 378.A O no hydrogen 2.865 N/A ALA 394.A N ALA 376.A O no hydrogen 3.081 N/A SER 395.A OG PHE 371.A O no hydrogen 2.756 N/A VAL 396.A N TRP 374.A O no hydrogen 3.192 N/A ILE 399.A N SER 395.A O no hydrogen 3.051 N/A LYS 400.A N VAL 396.A O no hydrogen 2.824 N/A LYS 400.A NZ ASP 461.A O no hydrogen 3.030 N/A HIS 401.A N GLN 397.A O no hydrogen 3.104 N/A HIS 401.A N ALA 398.A O no hydrogen 2.673 N/A HIS 401.A ND1 GLN 397.A O no hydrogen 2.862 N/A GLY 402.A N ILE 399.A O no hydrogen 2.878 N/A VAL 404.A N GLY 402.A O no hydrogen 2.607 N/A PHE 408.A N PRO 393.A O no hydrogen 2.783 N/A PHE 412.A N ASP 409.A O no hydrogen 3.308 N/A VAL 413.A N ALA 410.A O no hydrogen 3.113 N/A PHE 414.A N ALA 410.A O no hydrogen 2.898 N/A ALA 415.A N PRO 411.A O no hydrogen 3.030 N/A GLU 416.A N VAL 413.A O no hydrogen 2.980 N/A ASN 418.A N ALA 415.A O no hydrogen 3.430 N/A ASN 418.A ND2 PHE 414.A O no hydrogen 3.438 N/A SER 419.A OG ALA 415.A O no hydrogen 2.922 N/A ASP 420.A N LEU 330.A O no hydrogen 2.906 N/A LEU 421.A N ASP 438.A O no hydrogen 3.284 N/A ILE 422.A N MET 332.A O no hydrogen 2.820 N/A TYR 423.A N ASN 436.A O no hydrogen 2.640 N/A ILE 424.A N ILE 334.A O no hydrogen 2.963 N/A THR 425.A N VAL 433.A O no hydrogen 2.685 N/A THR 425.A OG1 GLU 435.A OE2 no hydrogen 3.528 N/A ALA 426.A N LEU 336.A O no hydrogen 3.146 N/A LYS 428.A N GLU 338.A OE2 no hydrogen 3.425 N/A GLY 430.A N LYS 427.A O no hydrogen 3.202 N/A THR 431.A OG1 ASP 429.A OD1 no hydrogen 2.821 N/A THR 431.A OG1 ASP 429.A OD2 no hydrogen 3.145 N/A VAL 433.A N THR 425.A O no hydrogen 2.904 N/A GLU 435.A N TYR 423.A O no hydrogen 2.587 N/A ASN 436.A N TYR 423.A O no hydrogen 3.124 N/A ASN 436.A ND2 GLU 435.A O no hydrogen 3.569 N/A ASP 438.A N LEU 421.A O no hydrogen 2.840 N/A THR 440.A N ASP 438.A OD1 no hydrogen 3.358 N/A THR 440.A OG1 ASP 438.A OD1 no hydrogen 3.021 N/A GLY 443.A N PHE 321.A O no hydrogen 2.546 N/A LYS 444.A N TYR 320.A O no hydrogen 3.158 N/A LYS 444.A NZ THR 440.A O no hydrogen 3.006 N/A ILE 446.A N THR 460.A OG1 no hydrogen 2.621 N/A VAL 447.A N THR 318.A O no hydrogen 3.066 N/A THR 448.A N MET 457.A O no hydrogen 2.742 N/A THR 448.A OG1 ILE 316.A O no hydrogen 2.885 N/A LYS 449.A NZ GLU 185.A OE1 no hydrogen 3.517 N/A LYS 449.A NZ GLN 450.A O no hydrogen 3.187 N/A LYS 449.A NZ GLY 453.A O no hydrogen 2.773 N/A GLN 450.A N GLY 455.A O no hydrogen 2.777 N/A GLY 455.A N GLN 450.A OE1 no hydrogen 2.913 N/A ILE 459.A N ILE 446.A O no hydrogen 2.852 N/A THR 460.A N ASP 458.A OD1 no hydrogen 2.908 N/A THR 460.A OG1 ILE 446.A O no hydrogen 3.419 N/A THR 460.A OG1 ASP 458.A OD1 no hydrogen 2.895 N/A THR 462.A N ILE 459.A O no hydrogen 3.061 N/A THR 462.A OG1 ILE 459.A O no hydrogen 2.738 N/A TYR 463.A OH GLU 359.A OE2 no hydrogen 2.576 N/A LYS 464.A N THR 460.A O no hydrogen 3.226 N/A LYS 464.A NZ VAL 417.A O no hydrogen 3.118 N/A LYS 464.A NZ GLU 467.A OE2 no hydrogen 3.210 N/A GLN 466.A NE2 GLN 469.A OE1 no hydrogen 2.608 N/A GLN 469.A N GLN 466.A O no hydrogen 3.065 N/A GLU 472.A N GLN 469.A O no hydrogen 3.061 N/A ARG 473.A N GLN 469.A O no hydrogen 3.023 N/A LEU 474.A N GLU 470.A O no hydrogen 2.936 N/A ALA 475.A N GLU 471.A O no hydrogen 3.083 N/A LEU 476.A N GLU 472.A O no hydrogen 3.068 N/A GLU 477.A N ARG 473.A O no hydrogen 2.787 N/A THR 478.A N LEU 474.A O no hydrogen 2.656 N/A THR 478.A OG1 LEU 474.A O no hydrogen 2.715 N/A ALA 479.A N ALA 475.A O no hydrogen 2.780 N/A LEU 480.A N LEU 476.A O no hydrogen 2.974 N/A MET 481.A N THR 478.A O no hydrogen 2.813 N/A TYR 482.A N ALA 479.A O no hydrogen 2.940 N/A ALA 484.A N ALA 479.A O no hydrogen 3.250 N/A LYS 485.A N ALA 328.A O no hydrogen 2.853 N/A LYS 485.A NZ ASP 327.A O no hydrogen 3.471 N/A LYS 485.A NZ ASP 327.A OD1 no hydrogen 2.984 N/A LEU 488.A N GLN 331.A OE1 no hydrogen 3.000 N/A THR 490.A OG1 LEU 488.A O no hydrogen 3.367 N/A SER 491.A OG THR 590.A OG1 no hydrogen 3.091 N/A SER 491.A OG ASP 592.A OD2 no hydrogen 2.618 N/A ASP 494.A N ARG 515.A O no hydrogen 2.560 N/A GLU 498.A N SER 511.A O no hydrogen 3.065 N/A ASN 501.A ND2 ALA 502.A O no hydrogen 2.861 N/A ASN 501.A ND2 VAL 601.A O no hydrogen 2.881 N/A LEU 504.A N THR 603.A O no hydrogen 3.397 N/A LYS 506.A N VAL 503.A O no hydrogen 2.991 N/A PHE 508.A N ILE 564.A O no hydrogen 2.812 N/A SER 511.A N GLU 498.A O no hydrogen 2.890 N/A ILE 512.A N GLU 560.A O no hydrogen 2.664 N/A THR 513.A N ASP 496.A O no hydrogen 3.095 N/A PHE 514.A N LYS 558.A O no hydrogen 3.025 N/A ARG 515.A N ASP 494.A O no hydrogen 2.631 N/A ASN 516.A N SER 556.A O no hydrogen 3.063 N/A ASN 516.A ND2 ASN 520.A O no hydrogen 2.787 N/A ASN 516.A ND2 LEU 552.A O no hydrogen 3.527 N/A ASN 517.A N ASN 492.A O no hydrogen 2.895 N/A ASN 517.A ND2 ASN 492.A O no hydrogen 2.721 N/A ASN 517.A ND2 ASP 494.A OD1 no hydrogen 3.146 N/A SER 518.A OG ASN 516.A OD1 no hydrogen 2.827 N/A SER 518.A OG ASN 520.A O no hydrogen 3.234 N/A ASN 520.A ND2 ARG 521.A O no hydrogen 3.330 N/A TYR 522.A N LEU 552.A O no hydrogen 2.969 N/A THR 523.A N GLU 589.A OE1 no hydrogen 2.614 N/A THR 523.A OG1 GLU 589.A OE1 no hydrogen 3.444 N/A THR 523.A OG1 GLU 589.A OE2 no hydrogen 2.537 N/A ILE 524.A N VAL 550.A O no hydrogen 2.708 N/A TYR 527.A N THR 584.A O no hydrogen 2.812 N/A LEU 528.A N GLU 546.A O no hydrogen 2.840 N/A SER 529.A N PHE 582.A O no hydrogen 3.011 N/A ALA 530.A N LYS 544.A O no hydrogen 2.959 N/A ASN 531.A N HIS 580.A O no hydrogen 2.717 N/A ASN 531.A ND2 HIS 580.A O no hydrogen 3.330 N/A ILE 532.A N ALA 541.A O no hydrogen 2.821 N/A THR 533.A OG1 PHE 534.A O no hydrogen 3.144 N/A PHE 534.A N VAL 538.A O no hydrogen 3.029 N/A TYR 535.A OH GLN 295.A OE1 no hydrogen 3.276 N/A GLY 537.A N PHE 534.A O no hydrogen 3.209 N/A LYS 540.A N ILE 532.A O no hydrogen 2.558 N/A PHE 543.A N ALA 530.A O no hydrogen 2.945 N/A LYS 544.A NZ GLU 568.A OE1 no hydrogen 2.917 N/A LYS 544.A NZ GLU 568.A OE2 no hydrogen 3.467 N/A LYS 545.A NZ ASN 341.A OD1 no hydrogen 3.096 N/A GLU 546.A N LEU 528.A O no hydrogen 3.126 N/A PHE 548.A N ALA 526.A O no hydrogen 2.624 N/A VAL 550.A N ILE 524.A O no hydrogen 2.862 N/A LEU 552.A N TYR 522.A O no hydrogen 2.809 N/A LEU 555.A N ASN 516.A OD1 no hydrogen 3.187 N/A LEU 555.A N SER 518.A O no hydrogen 3.345 N/A LYS 558.A N PHE 514.A O no hydrogen 3.078 N/A LYS 558.A NZ THR 551.A O no hydrogen 2.873 N/A LYS 558.A NZ SER 556.A OG no hydrogen 3.052 N/A GLU 560.A N ILE 512.A O no hydrogen 2.851 N/A VAL 562.A N LEU 510.A O no hydrogen 2.851 N/A ILE 564.A N PHE 508.A O no hydrogen 2.718 N/A GLN 565.A N GLU 568.A OE2 no hydrogen 3.031 N/A GLN 565.A NE2 ASP 507.A OD2 no hydrogen 3.010 N/A ALA 566.A N ASP 507.A OD1 no hydrogen 2.787 N/A GLU 568.A N GLN 565.A O no hydrogen 2.559 N/A TYR 569.A N ALA 566.A O no hydrogen 3.124 N/A TYR 569.A OH LYS 506.A O no hydrogen 2.439 N/A MET 570.A N ALA 566.A O no hydrogen 2.954 N/A GLN 572.A N TYR 569.A O no hydrogen 2.676 N/A GLU 575.A N ASN 263.A OD1 no hydrogen 2.996 N/A ALA 577.A N LEU 574.A O no hydrogen 2.709 N/A LEU 579.A N THR 600.A O no hydrogen 2.903 N/A HIS 580.A N ASN 531.A O no hydrogen 2.805 N/A HIS 580.A NE2 GLN 597.A OE1 no hydrogen 2.960 N/A PHE 581.A N LYS 598.A O no hydrogen 3.048 N/A PHE 582.A N SER 529.A O no hydrogen 2.809 N/A VAL 583.A N LYS 596.A O no hydrogen 2.879 N/A THR 584.A N TYR 527.A O no hydrogen 3.142 N/A THR 584.A OG1 GLY 340.A O no hydrogen 2.986 N/A ALA 585.A N LEU 594.A O no hydrogen 3.095 N/A ILE 587.A N ASP 592.A O no hydrogen 3.242 N/A ASN 588.A N THR 523.A O no hydrogen 2.626 N/A ASN 588.A ND2 THR 525.A OG1 no hydrogen 2.936 N/A GLU 589.A N GLU 589.A OE1 no hydrogen 2.703 N/A THR 590.A OG1 SER 491.A OG no hydrogen 3.091 N/A THR 590.A OG1 ILE 587.A O no hydrogen 3.353 N/A THR 590.A OG1 ASP 592.A OD2 no hydrogen 3.155 N/A ARG 591.A N ILE 587.A O no hydrogen 2.576 N/A LEU 594.A N ALA 585.A O no hydrogen 2.843 N/A LYS 596.A N VAL 583.A O no hydrogen 3.164 N/A GLN 597.A NE2 TYR 423.A OH no hydrogen 2.976 N/A LYS 598.A N PHE 581.A O no hydrogen 2.884 N/A LYS 598.A NZ ASP 496.A OD1 no hydrogen 3.020 N/A SER 599.A OG ASN 353.A OD1 no hydrogen 3.258 N/A THR 600.A N LEU 579.A O no hydrogen 3.213 N/A LEU 602.A N ALA 577.A O no hydrogen 2.883 N/A THR 603.A N ALA 502.A O no hydrogen 3.395 N/A ILE 607.A N TYR 693.A O no hydrogen 3.482 N/A ILE 608.A N GLU 626.A O no hydrogen 2.895 N/A LYS 610.A N THR 624.A O no hydrogen 2.881 N/A LYS 610.A NZ GLU 626.A OE2 no hydrogen 3.067 N/A ARG 612.A N THR 622.A O no hydrogen 2.914 N/A ARG 612.A NH2 GLU 667.A OE1 no hydrogen 3.243 N/A THR 614.A OG1 ASP 620.A O no hydrogen 2.413 N/A VAL 617.A N GLN 701.A O no hydrogen 2.778 N/A GLY 618.A N PRO 672.A O no hydrogen 2.811 N/A SER 619.A N VAL 616.A O no hydrogen 2.894 N/A SER 619.A OG VAL 617.A O no hydrogen 3.085 N/A MET 621.A N CYS 670.A O no hydrogen 2.810 N/A THR 622.A N ARG 612.A O no hydrogen 2.797 N/A VAL 623.A N GLU 668.A O no hydrogen 2.666 N/A THR 624.A N LYS 610.A O no hydrogen 2.625 N/A THR 624.A OG1 GLU 667.A OE2 no hydrogen 2.692 N/A VAL 625.A N TRP 666.A O no hydrogen 2.659 N/A GLU 626.A N ILE 608.A O no hydrogen 2.798 N/A PHE 627.A N VAL 664.A O no hydrogen 3.117 N/A THR 628.A OG1 THR 663.A OG1 no hydrogen 3.034 N/A ASN 629.A N SER 662.A O no hydrogen 2.859 N/A ASN 629.A ND2 GLU 633.A O no hydrogen 2.862 N/A ASN 629.A ND2 ILE 658.A O no hydrogen 2.910 N/A ASN 629.A ND2 ARG 659.A O no hydrogen 2.840 N/A LEU 631.A N ASN 629.A OD1 no hydrogen 2.839 N/A LYS 632.A NZ ASN 661.A OD1 no hydrogen 3.092 N/A LEU 635.A N ILE 658.A O no hydrogen 3.177 N/A ARG 636.A NE ARG 656.A O no hydrogen 3.065 N/A ARG 636.A NH2 ARG 656.A O no hydrogen 2.495 N/A ASN 637.A N ARG 656.A O no hydrogen 2.826 N/A ASN 637.A ND2 ASP 687.A OD2 no hydrogen 3.124 N/A VAL 638.A N PHE 655.A O no hydrogen 2.901 N/A TRP 639.A N SER 685.A O no hydrogen 3.035 N/A VAL 640.A N LYS 653.A O no hydrogen 2.839 N/A HIS 641.A N SER 683.A O no hydrogen 2.849 N/A LEU 642.A N MET 651.A O no hydrogen 2.644 N/A ASP 643.A N ILE 681.A O no hydrogen 2.691 N/A GLY 644.A N ASP 643.A OD1 no hydrogen 3.047 N/A VAL 647.A N GLY 644.A O no hydrogen 3.102 N/A THR 648.A N GLY 644.A O no hydrogen 2.702 N/A THR 648.A OG1 ARG 649.A O no hydrogen 2.868 N/A ARG 649.A NH2 ASP 214.A O no hydrogen 2.941 N/A MET 651.A N LEU 642.A O no hydrogen 2.595 N/A LYS 653.A N VAL 640.A O no hydrogen 2.845 N/A PHE 655.A N VAL 638.A O no hydrogen 2.802 N/A ILE 658.A N LEU 635.A O no hydrogen 3.011 N/A ASN 661.A ND2 ASN 629.A O no hydrogen 3.217 N/A SER 662.A N ARG 659.A O no hydrogen 3.168 N/A SER 662.A OG ARG 659.A O no hydrogen 2.398 N/A THR 663.A OG1 THR 628.A OG1 no hydrogen 3.034 N/A VAL 664.A N PHE 627.A O no hydrogen 3.031 N/A TRP 666.A N VAL 625.A O no hydrogen 2.659 N/A TRP 666.A NE1 GLU 668.A OE1 no hydrogen 3.127 N/A GLU 668.A N VAL 623.A O no hydrogen 2.935 N/A CYS 670.A N MET 621.A O no hydrogen 2.630 N/A TRP 673.A N GLY 646.A O no hydrogen 2.999 N/A VAL 674.A N GLY 646.A O no hydrogen 3.178 N/A GLY 676.A N ILE 700.A O no hydrogen 3.173 N/A ARG 678.A N VAL 698.A O no hydrogen 2.846 N/A ARG 678.A NE HIS 677.A O no hydrogen 3.134 N/A ARG 678.A NH1 ASP 190.A OD1 no hydrogen 3.200 N/A ARG 678.A NH1 ASP 190.A OD2 no hydrogen 3.190 N/A ARG 678.A NH1 PRO 645.A O no hydrogen 3.018 N/A ARG 678.A NH2 ASP 190.A OD1 no hydrogen 3.007 N/A LYS 679.A NZ ASP 454.A OD2 no hydrogen 2.674 N/A LEU 680.A N LEU 696.A O no hydrogen 2.974 N/A ILE 681.A N ASP 643.A O no hydrogen 2.725 N/A ALA 682.A N GLY 694.A O no hydrogen 2.509 N/A SER 683.A N HIS 641.A O no hydrogen 3.108 N/A SER 683.A OG ALA 273.A O no hydrogen 2.672 N/A MET 684.A N VAL 692.A O no hydrogen 2.847 N/A SER 685.A N TRP 639.A O no hydrogen 2.879 N/A SER 686.A N LEU 689.A O no hydrogen 2.938 N/A SER 686.A OG LEU 689.A O no hydrogen 2.589 N/A ASP 687.A N ARG 636.A O no hydrogen 3.142 N/A ARG 690.A NH1 ASN 263.A O no hydrogen 3.104 N/A HIS 691.A ND1 SER 272.A OG no hydrogen 2.738 N/A TYR 693.A OH SER 272.A O no hydrogen 2.398 N/A GLY 694.A N ALA 682.A O no hydrogen 2.733 N/A LEU 696.A N LEU 680.A O no hydrogen 2.863 N/A ILE 700.A N GLY 676.A O no hydrogen 3.074 N/A GLN 701.A N GLN 615.A O no hydrogen 2.864 N/A GLN 701.A NE2 ILE 700.A O no hydrogen 2.857 N/A