Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wpf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N PRO 3.A O no hydrogen 3.307 N/A CYS 8.A N PHE 5.A O no hydrogen 2.481 N/A GLU 9.A N ASP 17.A O no hydrogen 2.996 N/A LYS 11.A N LEU 15.A O no hydrogen 2.952 N/A GLY 14.A N PRO 12.A O no hydrogen 2.467 N/A LEU 15.A N LYS 11.A O no hydrogen 3.285 N/A VAL 16.A N ARG 37.A O no hydrogen 3.011 N/A ASP 17.A N GLU 9.A O no hydrogen 2.890 N/A CYS 18.A N SER 39.A O no hydrogen 2.792 N/A ASN 19.A N ASP 17.A OD1 no hydrogen 2.851 N/A TRP 20.A N ILE 41.A O no hydrogen 2.788 N/A LEU 21.A N ASN 43.A OD1 no hydrogen 2.956 N/A LEU 23.A N ASN 43.A OD1 no hydrogen 3.238 N/A SER 33.A OG ASN 34.A OD1 no hydrogen 3.334 N/A ILE 35.A N CYS 32.A O no hydrogen 3.440 N/A LEU 38.A N GLN 61.A O no hydrogen 3.017 N/A SER 39.A N VAL 16.A O no hydrogen 3.004 N/A SER 39.A OG ASN 19.A OD1 no hydrogen 2.600 N/A LEU 40.A N ASN 63.A O no hydrogen 2.776 N/A ILE 41.A N ASN 19.A OD1 no hydrogen 2.992 N/A SER 42.A N LYS 65.A O no hydrogen 2.985 N/A ASN 43.A ND2 CYS 18.A O no hydrogen 3.010 N/A ASN 43.A ND2 LEU 40.A O no hydrogen 2.846 N/A ARG 44.A N LEU 23.A O no hydrogen 2.700 N/A ARG 44.A NE PHE 22.A O no hydrogen 2.974 N/A ARG 44.A NH2 PHE 22.A O no hydrogen 3.078 N/A ILE 45.A N ASN 67.A OD1 no hydrogen 3.073 N/A HIS 47.A ND1 THR 79.A OG1 no hydrogen 2.905 N/A LEU 48.A N THR 79.A O no hydrogen 2.953 N/A HIS 49.A N ASP 52.A OD2 no hydrogen 2.876 N/A HIS 49.A ND1 ASP 52.A OD2 no hydrogen 2.766 N/A ASN 50.A N GLU 81.A OE2 no hydrogen 2.800 N/A ASP 52.A N HIS 49.A O no hydrogen 3.078 N/A HIS 55.A NE2 PRO 27.A O no hydrogen 2.836 N/A LEU 56.A N PHE 53.A O no hydrogen 2.929 N/A SER 57.A OG ASN 58.A OD1 no hydrogen 3.190 N/A ASN 58.A ND2 SER 33.A O no hydrogen 3.076 N/A LEU 59.A N LEU 56.A O no hydrogen 3.111 N/A ARG 60.A N THR 36.A O no hydrogen 2.614 N/A GLN 61.A N THR 36.A O no hydrogen 2.978 N/A LEU 62.A N GLU 93.A O no hydrogen 2.902 N/A ASN 63.A N LEU 38.A O no hydrogen 3.132 N/A LEU 64.A N ASN 95.A O no hydrogen 2.857 N/A LYS 65.A N ASN 63.A OD1 no hydrogen 3.111 N/A TRP 66.A N SER 97.A O no hydrogen 3.005 N/A ASN 67.A ND2 LEU 40.A O no hydrogen 2.965 N/A ASN 67.A ND2 LEU 64.A O no hydrogen 2.864 N/A CYS 68.A N ASN 99.A OD1 no hydrogen 2.769 N/A MET 78.A N GLY 100.A O no hydrogen 2.872 N/A THR 79.A N HIS 46.A O no hydrogen 3.268 N/A THR 79.A OG1 HIS 47.A ND1 no hydrogen 2.905 N/A GLU 81.A N LEU 48.A O no hydrogen 3.036 N/A ARG 83.A N ASN 50.A OD1 no hydrogen 3.150 N/A THR 84.A OG1 GLU 81.A O no hydrogen 2.954 N/A LEU 86.A N ARG 83.A O no hydrogen 3.002 N/A MET 88.A N PHE 85.A O no hydrogen 3.192 N/A LEU 91.A N MET 88.A O no hydrogen 3.155 N/A GLU 92.A N ARG 60.A O no hydrogen 2.674 N/A GLU 93.A N ARG 60.A O no hydrogen 2.804 N/A LEU 94.A N ASN 113.A O no hydrogen 2.946 N/A ASN 95.A N LEU 62.A O no hydrogen 2.931 N/A LEU 96.A N SER 115.A O no hydrogen 2.898 N/A SER 97.A N ASN 95.A OD1 no hydrogen 2.979 N/A SER 97.A OG ASN 95.A OD1 no hydrogen 2.390 N/A TYR 98.A N SER 117.A O no hydrogen 3.054 N/A ASN 99.A ND2 LEU 64.A O no hydrogen 2.915 N/A ASN 99.A ND2 LEU 96.A O no hydrogen 3.152 N/A GLY 100.A N CYS 68.A O no hydrogen 2.629 N/A ILE 101.A N ASN 99.A O no hydrogen 2.780 N/A SER 109.A OG GLY 131.A O no hydrogen 3.091 N/A SER 110.A OG ARG 89.A O no hydrogen 2.857 N/A SER 110.A OG LEU 91.A O no hydrogen 2.728 N/A LEU 111.A N PRO 108.A O no hydrogen 3.196 N/A VAL 112.A N GLU 92.A O no hydrogen 2.833 N/A ASN 113.A N GLU 92.A O no hydrogen 2.918 N/A LEU 114.A N VAL 137.A O no hydrogen 3.116 N/A SER 115.A N LEU 94.A O no hydrogen 2.982 N/A LEU 116.A N PHE 139.A O no hydrogen 2.800 N/A HIS 118.A N ASP 141.A O no hydrogen 2.805 N/A HIS 118.A NE2 TYR 145.A OH no hydrogen 2.543 N/A THR 119.A N ASN 143.A OD1 no hydrogen 2.805 N/A THR 119.A OG1 LEU 116.A O no hydrogen 2.792 N/A ASN 120.A N ILE 101.A O no hydrogen 2.818 N/A ILE 121.A N THR 119.A OG1 no hydrogen 3.426 N/A LEU 124.A N LYS 155.A O no hydrogen 2.955 N/A ASP 125.A N SER 128.A OG no hydrogen 3.213 N/A SER 128.A N ASP 125.A O no hydrogen 2.998 N/A SER 128.A N ASP 125.A OD1 no hydrogen 3.125 N/A SER 128.A OG ASP 125.A OD1 no hydrogen 3.430 N/A LEU 132.A N LEU 129.A O no hydrogen 3.067 N/A LEU 135.A N LEU 132.A O no hydrogen 3.214 N/A ARG 136.A N VAL 112.A O no hydrogen 2.808 N/A VAL 137.A N VAL 112.A O no hydrogen 3.057 N/A LEU 138.A N HIS 169.A O no hydrogen 2.985 N/A PHE 139.A N LEU 114.A O no hydrogen 3.071 N/A MET 140.A N SER 171.A O no hydrogen 2.910 N/A ASP 141.A N SER 117.A OG no hydrogen 2.978 N/A GLY 142.A N LYS 173.A O no hydrogen 2.840 N/A ASN 143.A N ASN 175.A OD1 no hydrogen 2.936 N/A ASN 143.A ND2 THR 119.A OG1 no hydrogen 2.922 N/A ASN 143.A ND2 ILE 121.A O no hydrogen 2.899 N/A CYS 144.A N TYR 174.A O no hydrogen 3.314 N/A CYS 144.A SG CYS 150.A O no hydrogen 3.561 N/A CYS 144.A SG GLY 152.A O no hydrogen 3.632 N/A TYR 145.A N ASN 148.A O no hydrogen 3.047 N/A TYR 145.A OH HIS 118.A NE2 no hydrogen 2.543 N/A ASN 148.A N TYR 145.A O no hydrogen 2.987 N/A ASN 148.A ND2 THR 119.A O no hydrogen 2.879 N/A ASN 148.A ND2 GLY 142.A O no hydrogen 2.696 N/A VAL 154.A N ASN 175.A O no hydrogen 3.151 N/A LYS 155.A N LEU 122.A O no hydrogen 2.725 N/A THR 157.A N LEU 124.A O no hydrogen 3.127 N/A THR 157.A OG1 LEU 124.A O no hydrogen 3.518 N/A GLY 159.A N ARG 182.A O no hydrogen 3.135 N/A ALA 160.A N THR 157.A O no hydrogen 3.122 N/A LEU 162.A N GLY 159.A O no hydrogen 3.029 N/A LEU 164.A N LEU 161.A O no hydrogen 2.828 N/A LEU 167.A N LEU 164.A O no hydrogen 3.103 N/A THR 168.A N ARG 136.A O no hydrogen 2.720 N/A THR 168.A OG1 ARG 136.A O no hydrogen 3.113 N/A THR 168.A OG1 HIS 169.A ND1 no hydrogen 2.778 N/A HIS 169.A N ARG 136.A O no hydrogen 2.838 N/A HIS 169.A ND1 THR 168.A OG1 no hydrogen 2.778 N/A LEU 170.A N TYR 190.A O no hydrogen 3.021 N/A SER 171.A N LEU 138.A O no hydrogen 3.089 N/A SER 171.A OG ASP 141.A OD1 no hydrogen 2.400 N/A SER 171.A OG ASP 141.A OD2 no hydrogen 2.999 N/A LEU 172.A N LEU 192.A O no hydrogen 2.841 N/A LYS 173.A N ASP 141.A OD1 no hydrogen 2.852 N/A TYR 174.A N SER 194.A O no hydrogen 3.319 N/A ASN 175.A N ASN 196.A OD1 no hydrogen 2.725 N/A ASN 175.A ND2 MET 140.A O no hydrogen 2.778 N/A ASN 176.A ND2 GLY 152.A O no hydrogen 3.167 N/A LEU 177.A N ASN 196.A OD1 no hydrogen 2.926 N/A ARG 182.A NH1 ASP 205.A OD1 no hydrogen 2.925 N/A ARG 182.A NH2 ASP 205.A OD1 no hydrogen 3.365 N/A SER 187.A OG SER 165.A O no hydrogen 3.556 N/A SER 187.A OG LEU 167.A O no hydrogen 2.504 N/A LEU 188.A N PRO 185.A O no hydrogen 3.144 N/A GLU 189.A N THR 168.A O no hydrogen 2.675 N/A TYR 190.A N THR 168.A O no hydrogen 2.796 N/A LEU 191.A N VAL 214.A O no hydrogen 2.995 N/A LEU 192.A N LEU 170.A O no hydrogen 3.065 N/A VAL 193.A N ASP 216.A O no hydrogen 2.881 N/A TYR 195.A N GLY 218.A O no hydrogen 3.026 N/A ASN 196.A N ASN 220.A OD1 no hydrogen 3.083 N/A ASN 196.A ND2 LEU 172.A O no hydrogen 2.989 N/A ASN 196.A ND2 VAL 193.A O no hydrogen 3.073 N/A LEU 197.A N LEU 177.A O no hydrogen 2.702 N/A ILE 198.A N ASN 220.A OD1 no hydrogen 3.044 N/A LEU 201.A N HIS 240.A O no hydrogen 2.915 N/A GLY 202.A N ASP 205.A OD2 no hydrogen 2.641 N/A ASP 205.A N GLY 202.A O no hydrogen 2.984 N/A LEU 209.A N LEU 206.A O no hydrogen 3.230 N/A LEU 212.A N LEU 209.A O no hydrogen 3.366 N/A ARG 213.A N GLU 189.A O no hydrogen 2.580 N/A ARG 213.A NE GLU 189.A OE1 no hydrogen 3.224 N/A ARG 213.A NH2 GLU 189.A OE1 no hydrogen 3.080 N/A VAL 214.A N GLU 189.A O no hydrogen 2.951 N/A LEU 215.A N GLY 254.A O no hydrogen 2.938 N/A ASP 216.A N LEU 191.A O no hydrogen 2.852 N/A VAL 217.A N VAL 256.A O no hydrogen 3.187 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 3.172 N/A GLY 219.A N LYS 258.A O no hydrogen 2.820 N/A ASN 220.A ND2 VAL 193.A O no hydrogen 3.291 N/A ASN 220.A ND2 VAL 217.A O no hydrogen 2.848 N/A CYS 221.A SG GLN 236.A O no hydrogen 3.501 N/A ARG 222.A NE ASP 259.A OD2 no hydrogen 2.791 N/A CYS 234.A N ARG 222.A O no hydrogen 3.178 N/A CYS 234.A SG GLN 236.A O no hydrogen 3.579 N/A SER 238.A OG LEU 239.A O no hydrogen 2.870 N/A SER 238.A OG SER 261.A O no hydrogen 3.377 N/A LEU 239.A N SER 260.A O no hydrogen 3.123 N/A HIS 240.A N VAL 199.A O no hydrogen 2.915 N/A HIS 242.A N LEU 201.A O no hydrogen 3.148 N/A GLU 244.A N HIS 242.A ND1 no hydrogen 2.822 N/A THR 245.A N HIS 242.A O no hydrogen 3.186 N/A THR 245.A OG1 LEU 201.A O no hydrogen 3.348 N/A THR 245.A OG1 HIS 242.A O no hydrogen 2.465 N/A HIS 247.A N GLU 244.A O no hydrogen 3.223 N/A HIS 247.A NE2 SER 268.A O no hydrogen 3.075 N/A HIS 248.A NE2 LEU 206.A O no hydrogen 2.887 N/A LEU 249.A N PHE 246.A O no hydrogen 3.019 N/A SER 250.A OG HIS 251.A ND1 no hydrogen 3.297 N/A LEU 252.A N LEU 249.A O no hydrogen 3.120 N/A GLU 253.A N ARG 213.A O no hydrogen 2.643 N/A GLY 254.A N ARG 213.A O no hydrogen 3.018 N/A LEU 255.A N VAL 278.A O no hydrogen 3.081 N/A VAL 256.A N LEU 215.A O no hydrogen 2.988 N/A LEU 257.A N ASP 280.A O no hydrogen 2.805 N/A LYS 258.A NZ GLU 283.A OE1 no hydrogen 2.825 N/A ASP 259.A N SER 282.A O no hydrogen 3.011 N/A SER 260.A N ASN 284.A OD1 no hydrogen 2.892 N/A SER 260.A OG LEU 257.A O no hydrogen 2.757 N/A SER 260.A OG LYS 258.A O no hydrogen 3.024 N/A SER 261.A OG CYS 221.A O no hydrogen 2.903 N/A LEU 262.A N ASN 284.A OD1 no hydrogen 2.873 N/A SER 268.A N ASN 266.A OD1 no hydrogen 3.089 N/A SER 268.A OG ASN 266.A OD1 no hydrogen 2.201 N/A TRP 269.A N ASN 266.A O no hydrogen 3.099 N/A PHE 270.A N SER 267.A O no hydrogen 3.355 N/A GLN 271.A N SER 268.A O no hydrogen 2.941 N/A SER 277.A N GLU 253.A O no hydrogen 2.736 N/A VAL 278.A N GLU 253.A O no hydrogen 2.866 N/A LEU 279.A N LYS 304.A O no hydrogen 3.053 N/A ASP 280.A N LEU 255.A O no hydrogen 3.142 N/A LEU 281.A N ASN 306.A O no hydrogen 2.912 N/A SER 282.A N ASP 280.A OD1 no hydrogen 2.995 N/A SER 282.A OG ASP 280.A OD1 no hydrogen 2.530 N/A GLU 283.A N SER 308.A O no hydrogen 2.935 N/A ASN 284.A ND2 LEU 257.A O no hydrogen 2.951 N/A ASN 284.A ND2 LEU 281.A O no hydrogen 3.074 N/A PHE 285.A N LEU 262.A O no hydrogen 2.823 N/A LEU 286.A N ASN 310.A OD1 no hydrogen 3.002 N/A TYR 287.A N TYR 311.A O no hydrogen 3.160 N/A TYR 287.A OH ALA 318.A O no hydrogen 2.520 N/A ILE 290.A N LEU 286.A O no hydrogen 2.935 N/A THR 291.A N GLU 288.A O no hydrogen 2.979 N/A THR 291.A OG1 GLU 288.A O no hydrogen 2.186 N/A THR 291.A OG1 HIS 292.A ND1 no hydrogen 3.404 N/A HIS 292.A N SER 289.A O no hydrogen 3.106 N/A HIS 292.A ND1 GLU 288.A O no hydrogen 2.534 N/A THR 293.A N SER 289.A O no hydrogen 2.700 N/A ASN 294.A N ASN 294.A OD1 no hydrogen 2.268 N/A ALA 295.A N THR 293.A OG1 no hydrogen 2.874 N/A GLN 297.A N ASN 294.A O no hydrogen 3.002 N/A THR 300.A N ASN 298.A O no hydrogen 2.570 N/A LEU 302.A N LEU 299.A O no hydrogen 3.251 N/A ARG 303.A N SER 277.A O no hydrogen 2.662 N/A LYS 304.A N SER 277.A O no hydrogen 2.890 N/A LEU 305.A N GLU 334.A O no hydrogen 3.075 N/A ASN 306.A N LEU 279.A O no hydrogen 2.999 N/A LEU 307.A N ASN 336.A O no hydrogen 2.825 N/A SER 308.A N ASN 306.A OD1 no hydrogen 3.071 N/A SER 308.A OG ASN 306.A OD1 no hydrogen 2.443 N/A PHE 309.A N ASN 338.A O no hydrogen 2.904 N/A ASN 310.A ND2 LEU 281.A O no hydrogen 2.833 N/A ASN 310.A ND2 LEU 307.A O no hydrogen 2.867 N/A ASN 310.A ND2 SER 308.A O no hydrogen 3.665 N/A TYR 311.A N ASN 284.A O no hydrogen 2.962 N/A ARG 312.A NH1 ILE 340.A O no hydrogen 3.403 N/A ARG 312.A NH1 PHE 341.A O no hydrogen 3.237 N/A ARG 312.A NH2 PHE 341.A O no hydrogen 3.339 N/A LEU 322.A N THR 349.A O no hydrogen 3.217 N/A ALA 323.A N ILE 290.A O no hydrogen 2.791 N/A SER 325.A OG THR 293.A O no hydrogen 2.782 N/A PHE 326.A N ALA 323.A O no hydrogen 3.184 N/A LYS 327.A N SER 324.A O no hydrogen 3.158 N/A ASN 328.A N SER 325.A O no hydrogen 3.007 N/A LEU 329.A N PHE 326.A O no hydrogen 3.227 N/A VAL 330.A N ASN 328.A O no hydrogen 2.703 N/A SER 331.A OG THR 300.A O no hydrogen 2.519 N/A LEU 332.A N LEU 329.A O no hydrogen 3.037 N/A GLN 333.A N ARG 303.A O no hydrogen 2.780 N/A GLN 333.A NE2 HIS 360.A NE2 no hydrogen 3.059 N/A GLU 334.A N ARG 303.A O no hydrogen 3.024 N/A LEU 335.A N THR 361.A O no hydrogen 2.988 N/A ASN 336.A N LEU 305.A O no hydrogen 2.886 N/A MET 337.A N HIS 363.A O no hydrogen 2.754 N/A ASN 338.A N ASN 336.A OD1 no hydrogen 3.090 N/A GLY 339.A N GLN 365.A O no hydrogen 2.900 N/A PHE 341.A N ASN 367.A OD1 no hydrogen 2.562 N/A PHE 342.A N ASN 367.A O no hydrogen 2.844 N/A ARG 343.A NH1 PHE 368.A O no hydrogen 2.470 N/A LEU 345.A N GLN 371.A O no hydrogen 2.808 N/A ASN 346.A N THR 349.A OG1 no hydrogen 2.745 N/A TYR 348.A N ASN 346.A OD1 no hydrogen 2.417 N/A THR 349.A N ASN 346.A O no hydrogen 3.302 N/A THR 349.A N ASN 346.A OD1 no hydrogen 3.247 N/A THR 349.A OG1 LEU 344.A O no hydrogen 3.448 N/A THR 349.A OG1 ASN 346.A O no hydrogen 3.390 N/A ARG 351.A N TYR 348.A O no hydrogen 3.319 N/A LEU 353.A N LEU 350.A O no hydrogen 2.953 N/A ALA 354.A N ARG 351.A O no hydrogen 3.145 N/A LEU 356.A N LEU 353.A O no hydrogen 3.149 N/A HIS 360.A N GLN 333.A O no hydrogen 2.811 N/A HIS 360.A ND1 THR 361.A OG1 no hydrogen 2.564 N/A THR 361.A N GLN 333.A O no hydrogen 2.966 N/A THR 361.A OG1 HIS 360.A ND1 no hydrogen 2.564 N/A LEU 362.A N PHE 385.A O no hydrogen 2.882 N/A HIS 363.A N LEU 335.A O no hydrogen 2.947 N/A HIS 363.A NE2 GLU 334.A OE2 no hydrogen 2.735 N/A LEU 364.A N ASP 387.A O no hydrogen 2.843 N/A GLN 365.A N ASN 338.A OD1 no hydrogen 2.884 N/A GLN 365.A NE2 ASP 387.A OD2 no hydrogen 2.912 N/A MET 366.A N ASP 390.A O no hydrogen 2.911 N/A ASN 367.A N ASN 391.A OD1 no hydrogen 2.947 N/A ASN 367.A ND2 MET 337.A O no hydrogen 2.715 N/A ASN 367.A ND2 LEU 364.A O no hydrogen 3.389 N/A ILE 369.A N ASN 391.A OD1 no hydrogen 3.084 N/A ASN 370.A N ARG 343.A O no hydrogen 2.911 N/A GLN 371.A N ARG 343.A O no hydrogen 3.055 N/A GLN 373.A N LEU 345.A O no hydrogen 2.972 N/A ILE 376.A N GLN 373.A O no hydrogen 3.352 N/A PHE 377.A N LEU 374.A O no hydrogen 3.156 N/A GLY 378.A N SER 375.A O no hydrogen 3.009 N/A THR 379.A N ILE 376.A O no hydrogen 3.127 N/A THR 379.A OG1 ILE 376.A O no hydrogen 2.918 N/A ARG 384.A N HIS 360.A O no hydrogen 2.787 N/A ARG 384.A NH1 LEU 383.A O no hydrogen 3.020 N/A PHE 385.A N HIS 360.A O no hydrogen 2.909 N/A VAL 386.A N THR 410.A O no hydrogen 3.017 N/A ASP 387.A N LEU 362.A O no hydrogen 2.979 N/A LEU 388.A N ASP 412.A O no hydrogen 2.808 N/A SER 389.A N ASP 387.A OD1 no hydrogen 2.954 N/A SER 389.A OG ASP 387.A OD1 no hydrogen 2.651 N/A ASP 390.A N SER 414.A O no hydrogen 2.995 N/A ASN 391.A N ARG 415.A O no hydrogen 3.228 N/A ASN 391.A ND2 LEU 364.A O no hydrogen 3.061 N/A ASN 391.A ND2 LEU 388.A O no hydrogen 2.860 N/A ARG 392.A N ILE 369.A O no hydrogen 2.856 N/A ILE 393.A N ASN 416.A OD1 no hydrogen 2.961 N/A ARG 403.A N MET 401.A O no hydrogen 2.449 N/A PHE 407.A N LYS 405.A O no hydrogen 2.228 N/A PHE 409.A N GLN 433.A OE1 no hydrogen 2.857 N/A THR 410.A N ARG 384.A O no hydrogen 2.703 N/A THR 410.A OG1 LYS 408.A O no hydrogen 3.364 N/A MET 411.A N CYS 434.A O no hydrogen 3.003 N/A ASP 412.A N VAL 386.A O no hydrogen 2.905 N/A LEU 413.A N SER 436.A O no hydrogen 2.881 N/A SER 414.A N ASP 412.A OD1 no hydrogen 2.844 N/A SER 414.A OG ASP 412.A OD1 no hydrogen 2.590 N/A ARG 415.A N SER 438.A O no hydrogen 3.008 N/A ASN 416.A ND2 LEU 388.A O no hydrogen 3.013 N/A ASN 416.A ND2 LEU 413.A O no hydrogen 2.999 N/A ASN 416.A ND2 SER 414.A O no hydrogen 3.404 N/A ASN 417.A N ILE 393.A O no hydrogen 2.848 N/A LEU 418.A N ASN 440.A OD1 no hydrogen 2.775 N/A ILE 421.A N GLN 444.A OE1 no hydrogen 2.952 N/A MET 425.A N LYS 422.A O no hydrogen 2.965 N/A PHE 426.A N PRO 423.A O no hydrogen 2.973 N/A VAL 427.A N GLU 424.A O no hydrogen 3.400 N/A LEU 429.A N PHE 426.A O no hydrogen 3.013 N/A SER 430.A OG PRO 453.A O no hydrogen 2.835 N/A LEU 432.A N LEU 429.A O no hydrogen 2.971 N/A GLN 433.A N PHE 409.A O no hydrogen 2.742 N/A CYS 434.A N PHE 409.A O no hydrogen 3.036 N/A LEU 435.A N VAL 459.A O no hydrogen 2.904 N/A SER 436.A N MET 411.A O no hydrogen 3.075 N/A LEU 437.A N ASP 461.A O no hydrogen 2.701 N/A SER 438.A OG SER 436.A OG no hydrogen 3.230 N/A HIS 439.A N SER 463.A O no hydrogen 3.030 N/A ASN 440.A N ASN 465.A OD1 no hydrogen 3.197 N/A ASN 440.A ND2 LEU 413.A O no hydrogen 3.140 N/A ASN 440.A ND2 LEU 437.A O no hydrogen 3.158 N/A ASN 440.A ND2 SER 438.A O no hydrogen 3.383 N/A SER 441.A N LEU 418.A O no hydrogen 2.849 N/A ILE 442.A N ASN 465.A OD1 no hydrogen 3.032 N/A ALA 443.A N VAL 419.A O no hydrogen 2.953 N/A GLN 444.A NE2 ILE 421.A O no hydrogen 3.154 N/A ASN 447.A N GLN 450.A OE1 no hydrogen 2.865 N/A SER 449.A N ASN 447.A OD1 no hydrogen 3.111 N/A SER 449.A OG ASN 447.A OD1 no hydrogen 3.379 N/A GLN 450.A N GLU 477.A OE2 no hydrogen 3.089 N/A GLN 450.A NE2 ASN 447.A OD1 no hydrogen 2.796 N/A PHE 451.A N GLU 477.A OE2 no hydrogen 2.893 N/A LEU 454.A N PHE 451.A O no hydrogen 2.900 N/A THR 455.A N PRO 453.A O no hydrogen 2.896 N/A THR 455.A OG1 ASN 456.A OD1 no hydrogen 2.547 N/A LEU 457.A N LEU 454.A O no hydrogen 3.223 N/A GLN 458.A N GLN 433.A O no hydrogen 2.783 N/A VAL 459.A N GLN 433.A O no hydrogen 2.981 N/A LEU 460.A N ALA 483.A O no hydrogen 2.941 N/A ASP 461.A N LEU 435.A O no hydrogen 2.970 N/A LEU 462.A N ASP 485.A O no hydrogen 2.806 N/A SER 463.A N ASP 461.A OD1 no hydrogen 2.901 N/A SER 463.A OG ASP 461.A OD1 no hydrogen 2.582 N/A HIS 464.A N SER 487.A O no hydrogen 2.965 N/A ASN 465.A ND2 LEU 437.A O no hydrogen 2.965 N/A ASN 465.A ND2 LEU 462.A O no hydrogen 3.187 N/A LYS 466.A N ILE 442.A O no hydrogen 2.879 N/A LEU 467.A N ASN 489.A OD1 no hydrogen 2.775 N/A ASP 468.A N GLN 444.A O no hydrogen 2.942 N/A LYS 473.A N HIS 471.A ND1 no hydrogen 3.026 N/A SER 474.A N HIS 471.A O no hydrogen 2.898 N/A SER 474.A OG VAL 446.A O no hydrogen 2.837 N/A SER 474.A OG HIS 471.A O no hydrogen 2.694 N/A SER 476.A N LYS 473.A O no hydrogen 2.994 N/A SER 476.A OG LYS 473.A O no hydrogen 2.839 N/A GLU 477.A N GLU 477.A OE1 no hydrogen 2.500 N/A LEU 478.A N PHE 475.A O no hydrogen 3.210 N/A LEU 481.A N LEU 478.A O no hydrogen 3.142 N/A GLN 482.A N GLN 458.A O no hydrogen 2.698 N/A ALA 483.A N GLN 458.A O no hydrogen 2.996 N/A LEU 484.A N SER 510.A O no hydrogen 3.035 N/A ASP 485.A N LEU 460.A O no hydrogen 2.946 N/A LEU 486.A N SER 512.A O no hydrogen 2.881 N/A SER 487.A N ASP 485.A OD1 no hydrogen 3.012 N/A SER 487.A OG ASP 485.A OD1 no hydrogen 2.803 N/A TYR 488.A N ALA 514.A O no hydrogen 2.921 N/A ASN 489.A ND2 LEU 467.A O no hydrogen 2.589 N/A SER 490.A N ASN 465.A O no hydrogen 3.209 N/A GLN 491.A N ASP 517.A OD2 no hydrogen 3.148 N/A GLN 491.A NE2 LEU 467.A O no hydrogen 3.367 N/A HIS 497.A N TYR 470.A O no hydrogen 3.282 N/A GLN 498.A N ARG 521.A O no hydrogen 3.270 N/A GLN 498.A NE2 ASP 517.A O no hydrogen 2.697 N/A PHE 499.A N LEU 469.A O no hydrogen 2.880 N/A SER 500.A N HIS 497.A O no hydrogen 2.953 N/A SER 500.A OG TYR 470.A O no hydrogen 3.240 N/A SER 500.A OG HIS 497.A O no hydrogen 2.791 N/A VAL 502.A N PHE 499.A O no hydrogen 3.337 N/A HIS 504.A N PHE 501.A O no hydrogen 2.932 N/A LEU 505.A N VAL 502.A O no hydrogen 3.165 N/A LEU 508.A N LEU 505.A O no hydrogen 3.215 N/A GLN 509.A N GLN 482.A O no hydrogen 2.649 N/A GLN 509.A NE2 SER 510.A OG no hydrogen 3.052 N/A SER 510.A N GLN 482.A O no hydrogen 2.948 N/A LEU 511.A N PHE 533.A O no hydrogen 2.821 N/A SER 512.A N LEU 484.A O no hydrogen 3.018 N/A SER 512.A OG ASP 485.A OD1 no hydrogen 3.536 N/A LEU 513.A N ASP 535.A O no hydrogen 3.004 N/A ALA 514.A N SER 512.A OG no hydrogen 3.401 N/A HIS 515.A N SER 537.A O no hydrogen 2.772 N/A ASN 516.A N ASN 539.A OD1 no hydrogen 2.791 N/A ASN 516.A ND2 LEU 486.A O no hydrogen 2.902 N/A ASN 516.A ND2 ALA 514.A O no hydrogen 3.070 N/A ASP 517.A N ASN 489.A O no hydrogen 3.039 N/A HIS 519.A N GLN 498.A OE1 no hydrogen 3.253 N/A ARG 521.A NE GLY 496.A O no hydrogen 3.198 N/A ARG 521.A NH2 GLY 496.A O no hydrogen 2.960 N/A VAL 522.A N HIS 519.A O no hydrogen 3.324 N/A SER 523.A N GLN 498.A O no hydrogen 3.168 N/A SER 523.A OG HIS 525.A O no hydrogen 2.276 N/A SER 524.A OG HIS 525.A ND1 no hydrogen 3.254 N/A HIS 525.A N SER 523.A OG no hydrogen 3.164 N/A LEU 526.A N PHE 554.A O no hydrogen 2.758 N/A SER 528.A N GLY 557.A O no hydrogen 2.954 N/A SER 530.A N SER 528.A OG no hydrogen 3.036 N/A SER 530.A OG LEU 505.A O no hydrogen 3.445 N/A SER 530.A OG LEU 508.A O no hydrogen 2.524 N/A SER 530.A OG SER 528.A OG no hydrogen 3.356 N/A VAL 531.A N SER 528.A OG no hydrogen 3.062 N/A ARG 532.A N GLN 509.A O no hydrogen 2.756 N/A ARG 532.A NH1 ASN 529.A O no hydrogen 3.356 N/A ARG 532.A NH1 VAL 531.A O no hydrogen 2.957 N/A ARG 532.A NH1 SER 559.A O no hydrogen 3.104 N/A ARG 532.A NH2 ASN 529.A O no hydrogen 3.026 N/A PHE 533.A N GLN 509.A O no hydrogen 2.994 N/A LEU 534.A N LYS 563.A O no hydrogen 3.049 N/A ASP 535.A N LEU 511.A O no hydrogen 2.905 N/A PHE 536.A N ASP 565.A O no hydrogen 2.825 N/A SER 537.A N ASP 535.A OD1 no hydrogen 2.993 N/A SER 537.A OG ASP 535.A OD1 no hydrogen 3.016 N/A SER 537.A OG ASP 565.A OD1 no hydrogen 2.747 N/A SER 537.A OG SER 567.A OG no hydrogen 2.676 N/A GLY 538.A N SER 567.A O no hydrogen 2.942 N/A ASN 539.A ND2 LEU 513.A O no hydrogen 3.271 N/A ASN 539.A ND2 PHE 536.A O no hydrogen 3.499 N/A MET 541.A N ASN 569.A OD1 no hydrogen 2.950 N/A GLY 542.A N ASN 569.A O no hydrogen 3.198 N/A MET 544.A N GLY 540.A O no hydrogen 3.010 N/A TRP 545.A N MET 541.A O no hydrogen 2.942 N/A TRP 545.A NE1 TYR 551.A O no hydrogen 2.873 N/A ASP 546.A N GLY 542.A O no hydrogen 2.978 N/A GLU 547.A N MET 544.A O no hydrogen 3.122 N/A GLY 548.A N TRP 545.A O no hydrogen 3.195 N/A LEU 552.A N GLY 549.A O no hydrogen 2.942 N/A PHE 554.A N TYR 551.A O no hydrogen 3.268 N/A GLN 556.A N HIS 553.A O no hydrogen 3.203 N/A LEU 558.A N PHE 555.A O no hydrogen 3.034 N/A SER 559.A N SER 528.A O no hydrogen 2.949 N/A SER 559.A N GLY 557.A O no hydrogen 2.870 N/A SER 559.A OG SER 528.A O no hydrogen 3.354 N/A SER 559.A OG ASN 529.A OD1 no hydrogen 3.352 N/A SER 559.A OG GLY 557.A O no hydrogen 3.403 N/A LEU 561.A N LEU 558.A O no hydrogen 3.133 N/A LEU 562.A N ARG 532.A O no hydrogen 3.118 N/A LYS 563.A N ARG 532.A O no hydrogen 3.016 N/A LEU 564.A N LEU 588.A O no hydrogen 3.104 N/A ASP 565.A N LEU 534.A O no hydrogen 3.010 N/A LEU 566.A N SER 590.A O no hydrogen 2.796 N/A SER 567.A N ASP 565.A OD1 no hydrogen 2.846 N/A SER 567.A OG SER 537.A OG no hydrogen 2.676 N/A SER 567.A OG ASP 565.A OD1 no hydrogen 2.926 N/A GLN 568.A N ARG 592.A O no hydrogen 2.980 N/A ASN 569.A N ASN 594.A OD1 no hydrogen 2.828 N/A ASN 569.A ND2 PHE 536.A O no hydrogen 2.890 N/A ASN 569.A ND2 SER 567.A O no hydrogen 3.100 N/A LEU 571.A N ASN 594.A OD1 no hydrogen 3.075 N/A GLN 577.A N GLN 577.A OE1 no hydrogen 3.053 N/A LEU 579.A N ARG 575.A O no hydrogen 3.409 N/A ASP 580.A N PRO 576.A O no hydrogen 2.733 N/A ASN 581.A N GLN 577.A O no hydrogen 2.988 N/A ASN 581.A ND2 GLN 556.A OE1 no hydrogen 3.047 N/A LEU 582.A N LEU 579.A O no hydrogen 3.284 N/A LYS 584.A NZ ASP 580.A OD1 no hydrogen 2.717 N/A LYS 584.A NZ PHE 606.A O no hydrogen 3.458 N/A SER 585.A OG LEU 561.A O no hydrogen 2.707 N/A LEU 586.A N PRO 583.A O no hydrogen 3.154 N/A LYS 587.A N LEU 562.A O no hydrogen 2.743 N/A LEU 588.A N LEU 562.A O no hydrogen 2.808 N/A LEU 589.A N VAL 612.A O no hydrogen 2.936 N/A SER 590.A N LEU 564.A O no hydrogen 3.003 N/A LEU 591.A N ASP 614.A O no hydrogen 2.674 N/A ARG 592.A NE ASP 614.A OD2 no hydrogen 2.864 N/A ARG 592.A NH2 ASP 614.A OD2 no hydrogen 2.968 N/A ASP 593.A N ALA 616.A O no hydrogen 2.875 N/A ASN 594.A ND2 LEU 566.A O no hydrogen 3.230 N/A ASN 594.A ND2 LEU 591.A O no hydrogen 2.743 N/A TYR 595.A N LEU 571.A O no hydrogen 2.763 N/A LEU 596.A N ASN 618.A OD1 no hydrogen 2.825 N/A SER 603.A N ASN 600.A O no hydrogen 3.249 N/A SER 603.A OG ASN 600.A O no hydrogen 3.005 N/A LEU 604.A N TRP 601.A O no hydrogen 3.008 N/A SER 605.A N THR 602.A O no hydrogen 3.240 N/A PHE 606.A N SER 603.A O no hydrogen 3.068 N/A LEU 607.A N LEU 604.A O no hydrogen 2.873 N/A ASN 609.A ND2 LYS 584.A O no hydrogen 2.826 N/A LEU 610.A N LEU 607.A O no hydrogen 3.159 N/A GLU 611.A N LYS 587.A O no hydrogen 2.665 N/A VAL 612.A N LYS 587.A O no hydrogen 2.966 N/A LEU 613.A N LYS 636.A O no hydrogen 3.117 N/A ASP 614.A N LEU 589.A O no hydrogen 2.994 N/A LEU 615.A N ASP 638.A O no hydrogen 2.865 N/A ALA 616.A N ASP 614.A OD1 no hydrogen 2.901 N/A GLY 617.A N SER 640.A O no hydrogen 2.984 N/A ASN 618.A ND2 LEU 591.A O no hydrogen 2.985 N/A ASN 618.A ND2 LEU 615.A O no hydrogen 3.055 N/A ASN 618.A ND2 ALA 616.A O no hydrogen 3.461 N/A GLN 619.A N LEU 596.A O no hydrogen 2.925 N/A LEU 620.A N ASN 642.A OD1 no hydrogen 2.773 N/A LEU 623.A N SER 646.A O no hydrogen 3.015 N/A THR 627.A OG1 LEU 628.A O no hydrogen 3.471 N/A THR 627.A OG1 ALA 650.A O no hydrogen 3.240 N/A THR 627.A OG1 PHE 651.A O no hydrogen 2.770 N/A LEU 628.A N PHE 651.A O no hydrogen 3.056 N/A THR 632.A N PRO 629.A O no hydrogen 2.822 N/A LEU 634.A N THR 632.A OG1 no hydrogen 3.385 N/A GLN 635.A N GLU 611.A O no hydrogen 2.693 N/A LYS 636.A N GLU 611.A O no hydrogen 3.087 N/A LEU 637.A N GLU 660.A O no hydrogen 2.882 N/A ASP 638.A N LEU 613.A O no hydrogen 3.171 N/A VAL 639.A N ASN 662.A O no hydrogen 3.021 N/A SER 640.A N ASP 638.A OD1 no hydrogen 2.941 N/A SER 640.A OG ASP 638.A OD1 no hydrogen 2.519 N/A SER 641.A N SER 664.A O no hydrogen 3.036 N/A ASN 642.A ND2 LEU 615.A O no hydrogen 3.015 N/A ASN 642.A ND2 VAL 639.A O no hydrogen 3.176 N/A ASN 642.A ND2 SER 640.A O no hydrogen 3.123 N/A SER 643.A N LEU 620.A O no hydrogen 2.996 N/A ILE 644.A N ASN 666.A OD1 no hydrogen 2.697 N/A VAL 645.A N LYS 621.A O no hydrogen 2.971 N/A VAL 648.A N LEU 623.A O no hydrogen 2.990 N/A ALA 650.A N SER 674.A O no hydrogen 2.764 N/A PHE 651.A N VAL 648.A O no hydrogen 3.347 N/A PHE 652.A N TRP 675.A O no hydrogen 3.030 N/A ALA 653.A N ALA 650.A O no hydrogen 3.088 N/A ALA 655.A N PHE 652.A O no hydrogen 3.115 N/A VAL 656.A N LEU 654.A O no hydrogen 2.779 N/A LEU 658.A N ALA 655.A O no hydrogen 2.987 N/A LYS 659.A N GLN 635.A O no hydrogen 2.643 N/A GLU 660.A N GLN 635.A O no hydrogen 3.031 N/A VAL 661.A N VAL 685.A O no hydrogen 3.023 N/A ASN 662.A N LEU 637.A O no hydrogen 3.020 N/A LEU 663.A N ASP 687.A O no hydrogen 2.734 N/A SER 664.A N ASN 662.A OD1 no hydrogen 3.017 N/A SER 664.A OG ASN 662.A OD1 no hydrogen 2.596 N/A HIS 665.A N ARG 689.A O no hydrogen 2.979 N/A ASN 666.A ND2 VAL 639.A O no hydrogen 2.989 N/A ASN 666.A ND2 LEU 663.A O no hydrogen 3.060 N/A ILE 667.A N ILE 644.A O no hydrogen 3.157 N/A LEU 668.A N ASN 691.A OD1 no hydrogen 2.965 N/A LYS 669.A NZ ILE 667.A O no hydrogen 3.432 N/A ARG 673.A NE GLU 707.A OE1 no hydrogen 3.322 N/A ARG 673.A NH2 GLU 707.A OE1 no hydrogen 2.961 N/A SER 674.A N ASP 672.A OD1 no hydrogen 2.845 N/A SER 674.A OG ASP 672.A OD1 no hydrogen 2.583 N/A TRP 675.A N ASP 672.A O no hydrogen 3.199 N/A PHE 676.A N ARG 673.A O no hydrogen 2.912 N/A GLY 677.A N ARG 673.A O no hydrogen 3.161 N/A VAL 680.A N GLY 677.A O no hydrogen 3.260 N/A MET 681.A N PRO 678.A O no hydrogen 3.193 N/A GLN 682.A N ILE 679.A O no hydrogen 2.892 N/A GLN 682.A NE2 VAL 656.A O no hydrogen 3.171 N/A THR 684.A N LYS 659.A O no hydrogen 2.475 N/A THR 684.A OG1 LYS 659.A O no hydrogen 3.023 N/A VAL 685.A N LYS 659.A O no hydrogen 3.188 N/A LEU 686.A N LYS 711.A O no hydrogen 2.982 N/A ASP 687.A N VAL 661.A O no hydrogen 3.026 N/A ARG 689.A N ASP 687.A OD1 no hydrogen 3.190 N/A ARG 689.A NH1 ASP 687.A OD2 no hydrogen 3.247 N/A ASN 691.A ND2 LEU 663.A O no hydrogen 3.106 N/A ASN 691.A ND2 VAL 688.A O no hydrogen 3.030 N/A LEU 693.A N ASN 691.A O no hydrogen 2.793 N/A HIS 694.A N LYS 669.A O no hydrogen 2.777 N/A HIS 694.A ND1 SER 723.A OG no hydrogen 2.585 N/A CYS 695.A N SER 723.A O no hydrogen 2.528 N/A CYS 695.A SG LEU 693.A O no hydrogen 3.792 N/A ALA 696.A N HIS 694.A O no hydrogen 3.005 N/A ALA 699.A N ALA 696.A O no hydrogen 3.320 N/A VAL 702.A N ALA 699.A O no hydrogen 3.383 N/A LEU 705.A N PHE 701.A O no hydrogen 2.979 N/A LEU 706.A N VAL 702.A O no hydrogen 2.900 N/A GLU 707.A N ASP 703.A O no hydrogen 3.084 N/A VAL 708.A N LEU 704.A O no hydrogen 3.204 N/A GLN 709.A N LEU 706.A O no hydrogen 3.406 N/A GLN 709.A NE2 THR 1.A O no hydrogen 2.689 N/A GLN 709.A NE2 LEU 706.A O no hydrogen 3.028 N/A LYS 711.A N VAL 708.A O no hydrogen 2.781 N/A LYS 711.A NZ THR 710.A OG1 no hydrogen 3.238 N/A VAL 712.A N GLN 709.A O no hydrogen 3.289 N/A LYS 720.A NZ ASN 717.A O no hydrogen 3.187 N/A LYS 720.A NZ ASN 717.A OD1 no hydrogen 3.132 N/A CYS 721.A N ARG 730.A O no hydrogen 2.856 N/A CYS 721.A SG ARG 730.A O no hydrogen 3.260 N/A CYS 721.A SG SER 731.A O no hydrogen 3.588 N/A GLY 722.A N LEU 693.A O no hydrogen 2.751 N/A SER 723.A OG HIS 694.A ND1 no hydrogen 2.585 N/A LEU 727.A N PRO 724.A O no hydrogen 2.908 N/A GLY 729.A N CYS 721.A O no hydrogen 2.968 N/A ARG 730.A N LEU 727.A O no hydrogen 2.894 N/A SER 731.A OG ALA 716.A O no hydrogen 3.298 N/A ILE 732.A N VAL 719.A O no hydrogen 3.202 N/A PHE 733.A N SER 731.A OG no hydrogen 3.183 N/A ALA 734.A N SER 731.A O no hydrogen 3.094 N/A ARG 738.A N ASP 736.A OD1 no hydrogen 3.182 N/A ARG 738.A NH1 ASP 736.A OD1 no hydrogen 2.690 N/A ARG 738.A NH2 THR 1.A OG1 no hydrogen 2.941 N/A LEU 739.A N ASP 736.A O no hydrogen 3.485 N/A