USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.962 K(o=3.3,f=1.3) USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0.469 USER MOD Set 1.3: A 15 GLN : amide:sc= 1.88 K(o=3.3,f=0.62) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0.899 (180deg=0.894) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 19 TYR OH : rot 150:sc=-0.00818 USER MOD Single : A 21 ASN : amide:sc= 1.02 K(o=1,f=-6.9!) USER MOD Single : B 103 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 104 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : B 105 HIS : no HE2:sc= 0.282 K(o=0.28,f=-0.99) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 110 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=-0.064) USER MOD Single : B 116 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 TYR OH : rot 15:sc= 0.276 USER MOD Single : B 127 THR OG1 : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.948 22.995 11.653 1.00 0.00 N ATOM 2 CA GLY A 1 14.993 22.482 10.650 1.00 0.00 C ATOM 3 C GLY A 1 15.678 21.521 9.691 1.00 0.00 C ATOM 4 O GLY A 1 16.438 20.656 10.129 1.00 0.00 O ATOM 0 H1 GLY A 1 15.451 23.622 12.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.364 22.198 12.175 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.703 23.527 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.169 21.975 11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.563 23.314 10.092 1.00 0.00 H new ATOM 10 N ILE A 2 15.397 21.650 8.388 1.00 0.00 N ATOM 11 CA ILE A 2 15.920 20.770 7.325 1.00 0.00 C ATOM 12 C ILE A 2 16.941 21.500 6.436 1.00 0.00 C ATOM 13 O ILE A 2 18.076 21.042 6.286 1.00 0.00 O ATOM 14 CB ILE A 2 14.757 20.179 6.484 1.00 0.00 C ATOM 15 CG1 ILE A 2 13.679 19.458 7.327 1.00 0.00 C ATOM 16 CG2 ILE A 2 15.287 19.242 5.383 1.00 0.00 C ATOM 17 CD1 ILE A 2 14.160 18.240 8.123 1.00 0.00 C ATOM 0 H ILE A 2 14.786 22.385 8.031 1.00 0.00 H new ATOM 0 HA ILE A 2 16.446 19.944 7.803 1.00 0.00 H new ATOM 0 HB ILE A 2 14.267 21.037 6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.249 20.177 8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.877 19.140 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.450 18.843 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.948 19.798 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.839 18.420 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.323 17.813 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.561 17.493 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 2 14.938 18.546 8.822 1.00 0.00 H new ATOM 29 N VAL A 3 16.545 22.638 5.844 1.00 0.00 N ATOM 30 CA VAL A 3 17.343 23.311 4.800 1.00 0.00 C ATOM 31 C VAL A 3 18.580 23.985 5.384 1.00 0.00 C ATOM 32 O VAL A 3 19.695 23.648 5.003 1.00 0.00 O ATOM 33 CB VAL A 3 16.497 24.279 3.951 1.00 0.00 C ATOM 34 CG1 VAL A 3 17.333 24.913 2.831 1.00 0.00 C ATOM 35 CG2 VAL A 3 15.319 23.549 3.286 1.00 0.00 C ATOM 0 H VAL A 3 15.673 23.115 6.070 1.00 0.00 H new ATOM 0 HA VAL A 3 17.695 22.535 4.120 1.00 0.00 H new ATOM 0 HB VAL A 3 16.132 25.048 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.708 25.591 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.163 25.469 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.722 24.130 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.740 24.257 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.699 22.759 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.681 23.112 4.054 1.00 0.00 H new ATOM 45 N GLU A 4 18.420 24.889 6.349 1.00 0.00 N ATOM 46 CA GLU A 4 19.537 25.612 6.974 1.00 0.00 C ATOM 47 C GLU A 4 20.531 24.674 7.692 1.00 0.00 C ATOM 48 O GLU A 4 21.746 24.872 7.611 1.00 0.00 O ATOM 49 CB GLU A 4 18.997 26.742 7.869 1.00 0.00 C ATOM 50 CG GLU A 4 18.365 26.296 9.191 1.00 0.00 C ATOM 51 CD GLU A 4 17.216 25.288 9.014 1.00 0.00 C ATOM 52 OE1 GLU A 4 16.218 25.594 8.321 1.00 0.00 O ATOM 53 OE2 GLU A 4 17.342 24.152 9.526 1.00 0.00 O ATOM 0 H GLU A 4 17.507 25.145 6.725 1.00 0.00 H new ATOM 0 HA GLU A 4 20.130 26.076 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 4 19.815 27.427 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.254 27.305 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 4 19.135 25.850 9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.990 27.173 9.719 1.00 0.00 H new ATOM 60 N GLN A 5 20.026 23.593 8.298 1.00 0.00 N ATOM 61 CA GLN A 5 20.820 22.550 8.957 1.00 0.00 C ATOM 62 C GLN A 5 21.800 21.838 7.997 1.00 0.00 C ATOM 63 O GLN A 5 22.850 21.366 8.436 1.00 0.00 O ATOM 64 CB GLN A 5 19.844 21.554 9.603 1.00 0.00 C ATOM 65 CG GLN A 5 20.510 20.512 10.518 1.00 0.00 C ATOM 66 CD GLN A 5 21.262 21.101 11.713 1.00 0.00 C ATOM 67 OE1 GLN A 5 20.918 22.139 12.262 1.00 0.00 O ATOM 68 NE2 GLN A 5 22.307 20.449 12.175 1.00 0.00 N ATOM 0 H GLN A 5 19.023 23.415 8.345 1.00 0.00 H new ATOM 0 HA GLN A 5 21.452 23.014 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.107 22.110 10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.301 21.033 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.744 19.830 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 5 21.205 19.918 9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.606 19.582 11.728 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.818 20.810 12.980 1.00 0.00 H new ATOM 77 N CYS A 6 21.485 21.796 6.698 1.00 0.00 N ATOM 78 CA CYS A 6 22.319 21.198 5.652 1.00 0.00 C ATOM 79 C CYS A 6 23.023 22.236 4.746 1.00 0.00 C ATOM 80 O CYS A 6 24.054 21.931 4.147 1.00 0.00 O ATOM 81 CB CYS A 6 21.423 20.255 4.838 1.00 0.00 C ATOM 82 SG CYS A 6 22.243 19.044 3.772 1.00 0.00 S ATOM 0 H CYS A 6 20.616 22.189 6.335 1.00 0.00 H new ATOM 0 HA CYS A 6 23.137 20.654 6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 6 20.784 19.713 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 6 20.770 20.865 4.215 1.00 0.00 H new ATOM 87 N CYS A 7 22.483 23.455 4.640 1.00 0.00 N ATOM 88 CA CYS A 7 22.894 24.471 3.663 1.00 0.00 C ATOM 89 C CYS A 7 23.799 25.584 4.231 1.00 0.00 C ATOM 90 O CYS A 7 24.634 26.115 3.497 1.00 0.00 O ATOM 91 CB CYS A 7 21.618 25.026 3.010 1.00 0.00 C ATOM 92 SG CYS A 7 21.858 26.170 1.625 1.00 0.00 S ATOM 0 H CYS A 7 21.727 23.771 5.248 1.00 0.00 H new ATOM 0 HA CYS A 7 23.533 23.994 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 7 21.019 24.185 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 7 21.034 25.535 3.777 1.00 0.00 H new ATOM 97 N THR A 8 23.688 25.915 5.528 1.00 0.00 N ATOM 98 CA THR A 8 24.630 26.823 6.228 1.00 0.00 C ATOM 99 C THR A 8 25.386 26.113 7.359 1.00 0.00 C ATOM 100 O THR A 8 26.587 26.321 7.526 1.00 0.00 O ATOM 101 CB THR A 8 23.950 28.134 6.659 1.00 0.00 C ATOM 102 OG1 THR A 8 24.907 29.029 7.183 1.00 0.00 O ATOM 103 CG2 THR A 8 22.842 27.988 7.703 1.00 0.00 C ATOM 0 H THR A 8 22.942 25.563 6.128 1.00 0.00 H new ATOM 0 HA THR A 8 25.398 27.115 5.511 1.00 0.00 H new ATOM 0 HB THR A 8 23.483 28.504 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 8 24.464 29.861 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 8 22.430 28.970 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 8 22.053 27.348 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 8 23.252 27.542 8.609 1.00 0.00 H new ATOM 111 N SER A 9 24.725 25.201 8.080 1.00 0.00 N ATOM 112 CA SER A 9 25.395 24.246 8.983 1.00 0.00 C ATOM 113 C SER A 9 25.872 23.028 8.172 1.00 0.00 C ATOM 114 O SER A 9 25.361 22.771 7.073 1.00 0.00 O ATOM 115 CB SER A 9 24.466 23.818 10.120 1.00 0.00 C ATOM 116 OG SER A 9 24.249 24.903 11.010 1.00 0.00 O ATOM 0 H SER A 9 23.710 25.100 8.057 1.00 0.00 H new ATOM 0 HA SER A 9 26.258 24.733 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.514 23.476 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.903 22.977 10.659 1.00 0.00 H new ATOM 0 HG SER A 9 23.652 24.619 11.733 1.00 0.00 H new ATOM 122 N ILE A 10 26.877 22.290 8.660 1.00 0.00 N ATOM 123 CA ILE A 10 27.386 21.108 7.939 1.00 0.00 C ATOM 124 C ILE A 10 26.430 19.909 7.999 1.00 0.00 C ATOM 125 O ILE A 10 25.824 19.582 9.022 1.00 0.00 O ATOM 126 CB ILE A 10 28.838 20.705 8.287 1.00 0.00 C ATOM 127 CG1 ILE A 10 29.280 20.806 9.762 1.00 0.00 C ATOM 128 CG2 ILE A 10 29.827 21.517 7.434 1.00 0.00 C ATOM 129 CD1 ILE A 10 28.443 19.993 10.754 1.00 0.00 C ATOM 0 H ILE A 10 27.352 22.484 9.541 1.00 0.00 H new ATOM 0 HA ILE A 10 27.426 21.440 6.901 1.00 0.00 H new ATOM 0 HB ILE A 10 28.850 19.638 8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 10 30.318 20.481 9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.252 21.854 10.061 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.847 21.227 7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 10 29.643 21.320 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.692 22.580 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 10 28.836 20.132 11.761 1.00 0.00 H new ATOM 0 HD12 ILE A 10 27.407 20.330 10.718 1.00 0.00 H new ATOM 0 HD13 ILE A 10 28.490 18.937 10.489 1.00 0.00 H new ATOM 141 N CYS A 11 26.333 19.236 6.862 1.00 0.00 N ATOM 142 CA CYS A 11 25.440 18.128 6.573 1.00 0.00 C ATOM 143 C CYS A 11 26.195 16.792 6.550 1.00 0.00 C ATOM 144 O CYS A 11 27.390 16.737 6.237 1.00 0.00 O ATOM 145 CB CYS A 11 24.759 18.438 5.240 1.00 0.00 C ATOM 146 SG CYS A 11 23.111 17.727 5.047 1.00 0.00 S ATOM 0 H CYS A 11 26.920 19.468 6.061 1.00 0.00 H new ATOM 0 HA CYS A 11 24.688 18.020 7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 11 24.688 19.520 5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 11 25.393 18.075 4.431 1.00 0.00 H new ATOM 151 N SER A 12 25.484 15.711 6.867 1.00 0.00 N ATOM 152 CA SER A 12 26.021 14.348 6.946 1.00 0.00 C ATOM 153 C SER A 12 24.970 13.307 6.562 1.00 0.00 C ATOM 154 O SER A 12 23.770 13.597 6.555 1.00 0.00 O ATOM 155 CB SER A 12 26.552 14.082 8.361 1.00 0.00 C ATOM 156 OG SER A 12 25.502 14.177 9.310 1.00 0.00 O ATOM 0 H SER A 12 24.488 15.758 7.083 1.00 0.00 H new ATOM 0 HA SER A 12 26.840 14.262 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.003 13.091 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.335 14.800 8.603 1.00 0.00 H new ATOM 0 HG SER A 12 25.855 14.003 10.207 1.00 0.00 H new ATOM 162 N LEU A 13 25.404 12.077 6.267 1.00 0.00 N ATOM 163 CA LEU A 13 24.496 10.978 5.910 1.00 0.00 C ATOM 164 C LEU A 13 23.509 10.655 7.046 1.00 0.00 C ATOM 165 O LEU A 13 22.342 10.382 6.784 1.00 0.00 O ATOM 166 CB LEU A 13 25.309 9.731 5.511 1.00 0.00 C ATOM 167 CG LEU A 13 26.317 9.945 4.365 1.00 0.00 C ATOM 168 CD1 LEU A 13 27.008 8.622 4.027 1.00 0.00 C ATOM 169 CD2 LEU A 13 25.649 10.487 3.099 1.00 0.00 C ATOM 0 H LEU A 13 26.390 11.814 6.268 1.00 0.00 H new ATOM 0 HA LEU A 13 23.900 11.299 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 13 25.850 9.374 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 13 24.615 8.942 5.221 1.00 0.00 H new ATOM 0 HG LEU A 13 27.042 10.682 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 13 27.719 8.780 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 13 27.536 8.252 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 13 26.262 7.890 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 26.400 10.621 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 24.893 9.781 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 13 25.178 11.445 3.318 1.00 0.00 H new ATOM 181 N TYR A 14 23.937 10.770 8.309 1.00 0.00 N ATOM 182 CA TYR A 14 23.047 10.609 9.462 1.00 0.00 C ATOM 183 C TYR A 14 21.933 11.671 9.493 1.00 0.00 C ATOM 184 O TYR A 14 20.788 11.361 9.826 1.00 0.00 O ATOM 185 CB TYR A 14 23.882 10.653 10.748 1.00 0.00 C ATOM 186 CG TYR A 14 23.063 10.472 12.014 1.00 0.00 C ATOM 187 CD1 TYR A 14 22.649 9.183 12.403 1.00 0.00 C ATOM 188 CD2 TYR A 14 22.702 11.591 12.794 1.00 0.00 C ATOM 189 CE1 TYR A 14 21.873 9.007 13.566 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.924 11.417 13.954 1.00 0.00 C ATOM 191 CZ TYR A 14 21.507 10.125 14.348 1.00 0.00 C ATOM 192 OH TYR A 14 20.757 9.971 15.474 1.00 0.00 O ATOM 0 H TYR A 14 24.904 10.976 8.558 1.00 0.00 H new ATOM 0 HA TYR A 14 22.548 9.643 9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 14 24.643 9.874 10.704 1.00 0.00 H new ATOM 0 HB3 TYR A 14 24.406 11.608 10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.927 8.326 11.807 1.00 0.00 H new ATOM 0 HD2 TYR A 14 23.022 12.580 12.501 1.00 0.00 H new ATOM 0 HE1 TYR A 14 21.558 8.017 13.860 1.00 0.00 H new ATOM 0 HE2 TYR A 14 21.644 12.275 14.546 1.00 0.00 H new ATOM 0 HH TYR A 14 20.602 10.847 15.886 1.00 0.00 H new ATOM 202 N GLN A 15 22.237 12.912 9.093 1.00 0.00 N ATOM 203 CA GLN A 15 21.261 14.006 9.068 1.00 0.00 C ATOM 204 C GLN A 15 20.315 13.868 7.869 1.00 0.00 C ATOM 205 O GLN A 15 19.100 13.947 8.040 1.00 0.00 O ATOM 206 CB GLN A 15 21.983 15.361 9.070 1.00 0.00 C ATOM 207 CG GLN A 15 22.651 15.655 10.420 1.00 0.00 C ATOM 208 CD GLN A 15 23.421 16.975 10.381 1.00 0.00 C ATOM 209 OE1 GLN A 15 22.948 18.016 10.812 1.00 0.00 O ATOM 210 NE2 GLN A 15 24.628 16.985 9.856 1.00 0.00 N ATOM 0 H GLN A 15 23.168 13.185 8.777 1.00 0.00 H new ATOM 0 HA GLN A 15 20.649 13.951 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.737 15.371 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.270 16.152 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.893 15.696 11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.330 14.842 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 15 25.033 16.122 9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 15 25.158 17.855 9.812 1.00 0.00 H new ATOM 219 N LEU A 16 20.853 13.553 6.684 1.00 0.00 N ATOM 220 CA LEU A 16 20.070 13.285 5.473 1.00 0.00 C ATOM 221 C LEU A 16 19.122 12.086 5.650 1.00 0.00 C ATOM 222 O LEU A 16 18.001 12.122 5.146 1.00 0.00 O ATOM 223 CB LEU A 16 21.035 13.097 4.288 1.00 0.00 C ATOM 224 CG LEU A 16 21.718 14.397 3.819 1.00 0.00 C ATOM 225 CD1 LEU A 16 22.933 14.061 2.953 1.00 0.00 C ATOM 226 CD2 LEU A 16 20.781 15.275 2.987 1.00 0.00 C ATOM 0 H LEU A 16 21.860 13.476 6.538 1.00 0.00 H new ATOM 0 HA LEU A 16 19.423 14.139 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 16 21.803 12.377 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.486 12.666 3.451 1.00 0.00 H new ATOM 0 HG LEU A 16 22.009 14.942 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.412 14.983 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.642 13.471 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 16 22.612 13.489 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.307 16.179 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 16 20.457 14.726 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 16 19.911 15.547 3.585 1.00 0.00 H new ATOM 238 N GLU A 17 19.501 11.058 6.419 1.00 0.00 N ATOM 239 CA GLU A 17 18.575 9.970 6.765 1.00 0.00 C ATOM 240 C GLU A 17 17.476 10.435 7.737 1.00 0.00 C ATOM 241 O GLU A 17 16.301 10.124 7.534 1.00 0.00 O ATOM 242 CB GLU A 17 19.331 8.758 7.340 1.00 0.00 C ATOM 243 CG GLU A 17 18.582 7.469 6.981 1.00 0.00 C ATOM 244 CD GLU A 17 19.160 6.224 7.679 1.00 0.00 C ATOM 245 OE1 GLU A 17 20.395 6.005 7.647 1.00 0.00 O ATOM 246 OE2 GLU A 17 18.364 5.441 8.255 1.00 0.00 O ATOM 0 H GLU A 17 20.437 10.956 6.812 1.00 0.00 H new ATOM 0 HA GLU A 17 18.086 9.663 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.345 8.725 6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 17 19.418 8.851 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.532 7.577 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.618 7.323 5.901 1.00 0.00 H new ATOM 253 N ASN A 18 17.821 11.232 8.756 1.00 0.00 N ATOM 254 CA ASN A 18 16.856 11.755 9.730 1.00 0.00 C ATOM 255 C ASN A 18 15.825 12.713 9.106 1.00 0.00 C ATOM 256 O ASN A 18 14.669 12.707 9.535 1.00 0.00 O ATOM 257 CB ASN A 18 17.604 12.399 10.917 1.00 0.00 C ATOM 258 CG ASN A 18 17.916 11.384 12.006 1.00 0.00 C ATOM 259 OD1 ASN A 18 17.132 11.151 12.915 1.00 0.00 O ATOM 260 ND2 ASN A 18 19.046 10.725 11.949 1.00 0.00 N ATOM 0 H ASN A 18 18.780 11.533 8.928 1.00 0.00 H new ATOM 0 HA ASN A 18 16.273 10.912 10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.532 12.848 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.999 13.205 11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.265 10.025 12.658 1.00 0.00 H new ATOM 0 HD22 ASN A 18 19.707 10.911 11.195 1.00 0.00 H new ATOM 267 N TYR A 19 16.181 13.468 8.059 1.00 0.00 N ATOM 268 CA TYR A 19 15.224 14.306 7.316 1.00 0.00 C ATOM 269 C TYR A 19 14.104 13.482 6.647 1.00 0.00 C ATOM 270 O TYR A 19 12.991 13.979 6.476 1.00 0.00 O ATOM 271 CB TYR A 19 15.954 15.124 6.237 1.00 0.00 C ATOM 272 CG TYR A 19 17.104 16.025 6.659 1.00 0.00 C ATOM 273 CD1 TYR A 19 17.240 16.510 7.978 1.00 0.00 C ATOM 274 CD2 TYR A 19 18.048 16.401 5.685 1.00 0.00 C ATOM 275 CE1 TYR A 19 18.331 17.328 8.321 1.00 0.00 C ATOM 276 CE2 TYR A 19 19.148 17.211 6.025 1.00 0.00 C ATOM 277 CZ TYR A 19 19.296 17.669 7.349 1.00 0.00 C ATOM 278 OH TYR A 19 20.375 18.424 7.688 1.00 0.00 O ATOM 0 H TYR A 19 17.135 13.517 7.702 1.00 0.00 H new ATOM 0 HA TYR A 19 14.762 14.969 8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.337 14.424 5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.213 15.746 5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.504 16.252 8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.927 16.064 4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.431 17.697 9.331 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.876 17.480 5.274 1.00 0.00 H new ATOM 0 HH TYR A 19 21.134 18.185 7.116 1.00 0.00 H new ATOM 288 N CYS A 20 14.381 12.219 6.298 1.00 0.00 N ATOM 289 CA CYS A 20 13.396 11.269 5.781 1.00 0.00 C ATOM 290 C CYS A 20 12.683 10.485 6.902 1.00 0.00 C ATOM 291 O CYS A 20 11.469 10.277 6.852 1.00 0.00 O ATOM 292 CB CYS A 20 14.120 10.303 4.839 1.00 0.00 C ATOM 293 SG CYS A 20 13.037 9.151 3.955 1.00 0.00 S ATOM 0 H CYS A 20 15.318 11.823 6.370 1.00 0.00 H new ATOM 0 HA CYS A 20 12.620 11.824 5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.683 10.884 4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.844 9.729 5.417 1.00 0.00 H new ATOM 298 N ASN A 21 13.437 10.038 7.911 1.00 0.00 N ATOM 299 CA ASN A 21 12.970 9.110 8.948 1.00 0.00 C ATOM 300 C ASN A 21 12.112 9.776 10.049 1.00 0.00 C ATOM 301 O ASN A 21 11.272 9.107 10.657 1.00 0.00 O ATOM 302 CB ASN A 21 14.217 8.405 9.524 1.00 0.00 C ATOM 303 CG ASN A 21 13.878 7.143 10.293 1.00 0.00 C ATOM 304 OD1 ASN A 21 13.756 6.069 9.719 1.00 0.00 O ATOM 305 ND2 ASN A 21 13.711 7.211 11.593 1.00 0.00 N ATOM 0 H ASN A 21 14.411 10.317 8.033 1.00 0.00 H new ATOM 0 HA ASN A 21 12.290 8.388 8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.897 8.156 8.709 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.747 9.094 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.480 6.370 12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.812 8.105 12.074 1.00 0.00 H new ATOM 312 N GLY A 22 12.315 11.076 10.310 1.00 0.00 N ATOM 313 CA GLY A 22 11.598 11.869 11.325 1.00 0.00 C ATOM 314 C GLY A 22 10.129 12.131 10.989 1.00 0.00 C ATOM 315 O GLY A 22 9.850 12.732 9.926 1.00 0.00 O ATOM 316 OXT GLY A 22 9.258 11.768 11.812 1.00 0.00 O ATOM 0 H GLY A 22 13.008 11.626 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.654 11.350 12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.107 12.825 11.450 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 101 33.191 8.978 3.414 1.00 0.00 N ATOM 322 CA PHE B 101 32.346 10.198 3.444 1.00 0.00 C ATOM 323 C PHE B 101 33.008 11.305 4.281 1.00 0.00 C ATOM 324 O PHE B 101 33.710 11.013 5.252 1.00 0.00 O ATOM 325 CB PHE B 101 30.924 9.883 3.954 1.00 0.00 C ATOM 326 CG PHE B 101 30.003 11.091 4.016 1.00 0.00 C ATOM 327 CD1 PHE B 101 29.346 11.544 2.856 1.00 0.00 C ATOM 328 CD2 PHE B 101 29.851 11.800 5.225 1.00 0.00 C ATOM 329 CE1 PHE B 101 28.541 12.697 2.904 1.00 0.00 C ATOM 330 CE2 PHE B 101 29.067 12.968 5.265 1.00 0.00 C ATOM 331 CZ PHE B 101 28.407 13.414 4.106 1.00 0.00 C ATOM 0 HA PHE B 101 32.252 10.564 2.422 1.00 0.00 H new ATOM 0 HB2 PHE B 101 30.475 9.131 3.305 1.00 0.00 H new ATOM 0 HB3 PHE B 101 30.996 9.443 4.949 1.00 0.00 H new ATOM 0 HD1 PHE B 101 29.460 11.005 1.927 1.00 0.00 H new ATOM 0 HD2 PHE B 101 30.337 11.446 6.122 1.00 0.00 H new ATOM 0 HE1 PHE B 101 28.025 13.032 2.016 1.00 0.00 H new ATOM 0 HE2 PHE B 101 28.972 13.523 6.187 1.00 0.00 H new ATOM 0 HZ PHE B 101 27.798 14.306 4.139 1.00 0.00 H new ATOM 343 N VAL B 102 32.780 12.572 3.920 1.00 0.00 N ATOM 344 CA VAL B 102 33.194 13.776 4.675 1.00 0.00 C ATOM 345 C VAL B 102 32.049 14.793 4.750 1.00 0.00 C ATOM 346 O VAL B 102 31.241 14.888 3.822 1.00 0.00 O ATOM 347 CB VAL B 102 34.462 14.438 4.089 1.00 0.00 C ATOM 348 CG1 VAL B 102 35.693 13.543 4.249 1.00 0.00 C ATOM 349 CG2 VAL B 102 34.327 14.825 2.611 1.00 0.00 C ATOM 0 H VAL B 102 32.282 12.804 3.060 1.00 0.00 H new ATOM 0 HA VAL B 102 33.441 13.442 5.683 1.00 0.00 H new ATOM 0 HB VAL B 102 34.587 15.354 4.667 1.00 0.00 H new ATOM 0 HG11 VAL B 102 36.564 14.043 3.825 1.00 0.00 H new ATOM 0 HG12 VAL B 102 35.866 13.348 5.307 1.00 0.00 H new ATOM 0 HG13 VAL B 102 35.527 12.600 3.729 1.00 0.00 H new ATOM 0 HG21 VAL B 102 35.255 15.284 2.269 1.00 0.00 H new ATOM 0 HG22 VAL B 102 34.123 13.933 2.019 1.00 0.00 H new ATOM 0 HG23 VAL B 102 33.507 15.534 2.494 1.00 0.00 H new ATOM 359 N ASN B 103 31.976 15.574 5.832 1.00 0.00 N ATOM 360 CA ASN B 103 30.920 16.573 6.043 1.00 0.00 C ATOM 361 C ASN B 103 30.989 17.697 4.985 1.00 0.00 C ATOM 362 O ASN B 103 32.070 18.179 4.635 1.00 0.00 O ATOM 363 CB ASN B 103 30.998 17.118 7.481 1.00 0.00 C ATOM 364 CG ASN B 103 30.555 16.137 8.557 1.00 0.00 C ATOM 365 OD1 ASN B 103 30.082 15.038 8.307 1.00 0.00 O ATOM 366 ND2 ASN B 103 30.689 16.510 9.809 1.00 0.00 N ATOM 0 H ASN B 103 32.653 15.531 6.594 1.00 0.00 H new ATOM 0 HA ASN B 103 29.949 16.094 5.917 1.00 0.00 H new ATOM 0 HB2 ASN B 103 32.025 17.421 7.685 1.00 0.00 H new ATOM 0 HB3 ASN B 103 30.382 18.014 7.549 1.00 0.00 H new ATOM 0 HD21 ASN B 103 30.400 15.885 10.561 1.00 0.00 H new ATOM 0 HD22 ASN B 103 31.083 17.425 10.029 1.00 0.00 H new ATOM 373 N GLN B 104 29.821 18.096 4.476 1.00 0.00 N ATOM 374 CA GLN B 104 29.626 18.963 3.295 1.00 0.00 C ATOM 375 C GLN B 104 28.367 19.835 3.467 1.00 0.00 C ATOM 376 O GLN B 104 27.696 19.748 4.495 1.00 0.00 O ATOM 377 CB GLN B 104 29.480 18.054 2.056 1.00 0.00 C ATOM 378 CG GLN B 104 30.812 17.480 1.545 1.00 0.00 C ATOM 379 CD GLN B 104 30.593 16.332 0.567 1.00 0.00 C ATOM 380 OE1 GLN B 104 30.513 16.509 -0.644 1.00 0.00 O ATOM 381 NE2 GLN B 104 30.477 15.115 1.054 1.00 0.00 N ATOM 0 H GLN B 104 28.935 17.812 4.893 1.00 0.00 H new ATOM 0 HA GLN B 104 30.480 19.631 3.177 1.00 0.00 H new ATOM 0 HB2 GLN B 104 28.810 17.230 2.299 1.00 0.00 H new ATOM 0 HB3 GLN B 104 29.009 18.622 1.254 1.00 0.00 H new ATOM 0 HG2 GLN B 104 31.385 18.269 1.058 1.00 0.00 H new ATOM 0 HG3 GLN B 104 31.405 17.130 2.390 1.00 0.00 H new ATOM 0 HE21 GLN B 104 30.542 14.960 2.060 1.00 0.00 H new ATOM 0 HE22 GLN B 104 30.322 14.327 0.425 1.00 0.00 H new ATOM 390 N HIS B 105 28.001 20.652 2.474 1.00 0.00 N ATOM 391 CA HIS B 105 26.719 21.371 2.421 1.00 0.00 C ATOM 392 C HIS B 105 25.878 20.982 1.190 1.00 0.00 C ATOM 393 O HIS B 105 26.427 20.761 0.108 1.00 0.00 O ATOM 394 CB HIS B 105 26.963 22.886 2.430 1.00 0.00 C ATOM 395 CG HIS B 105 27.704 23.387 3.641 1.00 0.00 C ATOM 396 ND1 HIS B 105 27.216 23.498 4.922 1.00 0.00 N ATOM 397 CD2 HIS B 105 28.982 23.880 3.652 1.00 0.00 C ATOM 398 CE1 HIS B 105 28.171 24.048 5.688 1.00 0.00 C ATOM 399 NE2 HIS B 105 29.276 24.294 4.960 1.00 0.00 N ATOM 0 H HIS B 105 28.598 20.837 1.668 1.00 0.00 H new ATOM 0 HA HIS B 105 26.152 21.083 3.306 1.00 0.00 H new ATOM 0 HB2 HIS B 105 27.526 23.157 1.537 1.00 0.00 H new ATOM 0 HB3 HIS B 105 26.002 23.397 2.369 1.00 0.00 H new ATOM 0 HD1 HIS B 105 26.289 23.212 5.236 1.00 0.00 H new ATOM 0 HD2 HIS B 105 29.647 23.940 2.803 1.00 0.00 H new ATOM 0 HE1 HIS B 105 28.067 24.263 6.741 1.00 0.00 H new ATOM 407 N LEU B 106 24.547 20.963 1.331 1.00 0.00 N ATOM 408 CA LEU B 106 23.559 20.832 0.244 1.00 0.00 C ATOM 409 C LEU B 106 22.356 21.752 0.505 1.00 0.00 C ATOM 410 O LEU B 106 22.023 22.034 1.656 1.00 0.00 O ATOM 411 CB LEU B 106 23.054 19.378 0.111 1.00 0.00 C ATOM 412 CG LEU B 106 24.104 18.309 -0.238 1.00 0.00 C ATOM 413 CD1 LEU B 106 23.458 16.928 -0.138 1.00 0.00 C ATOM 414 CD2 LEU B 106 24.639 18.461 -1.660 1.00 0.00 C ATOM 0 H LEU B 106 24.105 21.042 2.247 1.00 0.00 H new ATOM 0 HA LEU B 106 24.056 21.118 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU B 106 22.581 19.095 1.051 1.00 0.00 H new ATOM 0 HB3 LEU B 106 22.279 19.356 -0.655 1.00 0.00 H new ATOM 0 HG LEU B 106 24.931 18.429 0.462 1.00 0.00 H new ATOM 0 HD11 LEU B 106 24.195 16.163 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU B 106 23.095 16.769 0.877 1.00 0.00 H new ATOM 0 HD13 LEU B 106 22.623 16.865 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU B 106 25.377 17.683 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU B 106 23.817 18.369 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU B 106 25.106 19.440 -1.770 1.00 0.00 H new ATOM 426 N CYS B 107 21.682 22.183 -0.560 1.00 0.00 N ATOM 427 CA CYS B 107 20.519 23.074 -0.500 1.00 0.00 C ATOM 428 C CYS B 107 19.425 22.654 -1.503 1.00 0.00 C ATOM 429 O CYS B 107 19.704 21.963 -2.487 1.00 0.00 O ATOM 430 CB CYS B 107 20.993 24.516 -0.762 1.00 0.00 C ATOM 431 SG CYS B 107 20.307 25.774 0.352 1.00 0.00 S ATOM 0 H CYS B 107 21.933 21.917 -1.512 1.00 0.00 H new ATOM 0 HA CYS B 107 20.069 23.009 0.490 1.00 0.00 H new ATOM 0 HB2 CYS B 107 22.080 24.543 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS B 107 20.737 24.784 -1.787 1.00 0.00 H new ATOM 436 N GLY B 108 18.179 23.085 -1.267 1.00 0.00 N ATOM 437 CA GLY B 108 17.059 22.969 -2.217 1.00 0.00 C ATOM 438 C GLY B 108 16.828 21.557 -2.773 1.00 0.00 C ATOM 439 O GLY B 108 16.833 20.568 -2.039 1.00 0.00 O ATOM 0 H GLY B 108 17.913 23.535 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY B 108 16.147 23.303 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY B 108 17.237 23.648 -3.051 1.00 0.00 H new ATOM 443 N SER B 109 16.641 21.452 -4.093 1.00 0.00 N ATOM 444 CA SER B 109 16.400 20.180 -4.791 1.00 0.00 C ATOM 445 C SER B 109 17.552 19.174 -4.660 1.00 0.00 C ATOM 446 O SER B 109 17.305 17.970 -4.674 1.00 0.00 O ATOM 447 CB SER B 109 16.144 20.453 -6.281 1.00 0.00 C ATOM 448 OG SER B 109 15.101 21.403 -6.458 1.00 0.00 O ATOM 0 H SER B 109 16.653 22.258 -4.717 1.00 0.00 H new ATOM 0 HA SER B 109 15.530 19.729 -4.314 1.00 0.00 H new ATOM 0 HB2 SER B 109 17.058 20.821 -6.748 1.00 0.00 H new ATOM 0 HB3 SER B 109 15.881 19.522 -6.784 1.00 0.00 H new ATOM 0 HG SER B 109 14.960 21.559 -7.415 1.00 0.00 H new ATOM 454 N HIS B 110 18.801 19.629 -4.488 1.00 0.00 N ATOM 455 CA HIS B 110 19.957 18.747 -4.302 1.00 0.00 C ATOM 456 C HIS B 110 19.955 18.093 -2.904 1.00 0.00 C ATOM 457 O HIS B 110 20.267 16.908 -2.767 1.00 0.00 O ATOM 458 CB HIS B 110 21.247 19.555 -4.548 1.00 0.00 C ATOM 459 CG HIS B 110 22.485 18.740 -4.846 1.00 0.00 C ATOM 460 ND1 HIS B 110 23.754 19.253 -5.022 1.00 0.00 N ATOM 461 CD2 HIS B 110 22.572 17.386 -5.028 1.00 0.00 C ATOM 462 CE1 HIS B 110 24.587 18.232 -5.290 1.00 0.00 C ATOM 463 NE2 HIS B 110 23.910 17.070 -5.308 1.00 0.00 N ATOM 0 H HIS B 110 19.036 20.621 -4.474 1.00 0.00 H new ATOM 0 HA HIS B 110 19.903 17.931 -5.022 1.00 0.00 H new ATOM 0 HB2 HIS B 110 21.074 20.236 -5.381 1.00 0.00 H new ATOM 0 HB3 HIS B 110 21.442 20.170 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS B 110 21.754 16.684 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS B 110 25.648 18.331 -5.466 1.00 0.00 H new ATOM 0 HE2 HIS B 110 24.293 16.142 -5.489 1.00 0.00 H new ATOM 471 N LEU B 111 19.518 18.837 -1.879 1.00 0.00 N ATOM 472 CA LEU B 111 19.266 18.324 -0.525 1.00 0.00 C ATOM 473 C LEU B 111 18.150 17.266 -0.557 1.00 0.00 C ATOM 474 O LEU B 111 18.341 16.160 -0.053 1.00 0.00 O ATOM 475 CB LEU B 111 18.932 19.530 0.375 1.00 0.00 C ATOM 476 CG LEU B 111 18.940 19.312 1.898 1.00 0.00 C ATOM 477 CD1 LEU B 111 18.642 20.657 2.560 1.00 0.00 C ATOM 478 CD2 LEU B 111 17.898 18.324 2.414 1.00 0.00 C ATOM 0 H LEU B 111 19.325 19.835 -1.970 1.00 0.00 H new ATOM 0 HA LEU B 111 20.142 17.820 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU B 111 19.642 20.325 0.147 1.00 0.00 H new ATOM 0 HB3 LEU B 111 17.944 19.894 0.094 1.00 0.00 H new ATOM 0 HG LEU B 111 19.919 18.897 2.140 1.00 0.00 H new ATOM 0 HD11 LEU B 111 18.640 20.537 3.643 1.00 0.00 H new ATOM 0 HD12 LEU B 111 19.407 21.380 2.276 1.00 0.00 H new ATOM 0 HD13 LEU B 111 17.666 21.015 2.233 1.00 0.00 H new ATOM 0 HD21 LEU B 111 17.983 18.238 3.497 1.00 0.00 H new ATOM 0 HD22 LEU B 111 16.900 18.679 2.155 1.00 0.00 H new ATOM 0 HD23 LEU B 111 18.065 17.348 1.959 1.00 0.00 H new ATOM 490 N VAL B 112 17.024 17.561 -1.221 1.00 0.00 N ATOM 491 CA VAL B 112 15.898 16.620 -1.370 1.00 0.00 C ATOM 492 C VAL B 112 16.317 15.359 -2.130 1.00 0.00 C ATOM 493 O VAL B 112 16.027 14.255 -1.674 1.00 0.00 O ATOM 494 CB VAL B 112 14.668 17.296 -2.015 1.00 0.00 C ATOM 495 CG1 VAL B 112 13.539 16.299 -2.312 1.00 0.00 C ATOM 496 CG2 VAL B 112 14.100 18.375 -1.083 1.00 0.00 C ATOM 0 H VAL B 112 16.865 18.462 -1.673 1.00 0.00 H new ATOM 0 HA VAL B 112 15.601 16.310 -0.368 1.00 0.00 H new ATOM 0 HB VAL B 112 15.017 17.729 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL B 112 12.699 16.825 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL B 112 13.901 15.534 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL B 112 13.215 15.829 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL B 112 13.234 18.842 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL B 112 13.800 17.919 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL B 112 14.862 19.131 -0.895 1.00 0.00 H new ATOM 506 N GLU B 113 17.054 15.477 -3.238 1.00 0.00 N ATOM 507 CA GLU B 113 17.554 14.320 -3.992 1.00 0.00 C ATOM 508 C GLU B 113 18.501 13.449 -3.145 1.00 0.00 C ATOM 509 O GLU B 113 18.365 12.223 -3.130 1.00 0.00 O ATOM 510 CB GLU B 113 18.238 14.810 -5.279 1.00 0.00 C ATOM 511 CG GLU B 113 18.688 13.654 -6.187 1.00 0.00 C ATOM 512 CD GLU B 113 19.267 14.196 -7.510 1.00 0.00 C ATOM 513 OE1 GLU B 113 20.472 14.543 -7.559 1.00 0.00 O ATOM 514 OE2 GLU B 113 18.522 14.264 -8.520 1.00 0.00 O ATOM 0 H GLU B 113 17.322 16.376 -3.639 1.00 0.00 H new ATOM 0 HA GLU B 113 16.709 13.685 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU B 113 17.551 15.453 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU B 113 19.103 15.419 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU B 113 19.439 13.053 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU B 113 17.843 12.998 -6.395 1.00 0.00 H new ATOM 521 N ALA B 114 19.419 14.060 -2.391 1.00 0.00 N ATOM 522 CA ALA B 114 20.327 13.331 -1.510 1.00 0.00 C ATOM 523 C ALA B 114 19.574 12.625 -0.370 1.00 0.00 C ATOM 524 O ALA B 114 19.805 11.438 -0.132 1.00 0.00 O ATOM 525 CB ALA B 114 21.386 14.297 -0.979 1.00 0.00 C ATOM 0 H ALA B 114 19.551 15.071 -2.376 1.00 0.00 H new ATOM 0 HA ALA B 114 20.818 12.542 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA B 114 22.069 13.761 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA B 114 21.944 14.720 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA B 114 20.901 15.100 -0.424 1.00 0.00 H new ATOM 531 N LEU B 115 18.630 13.297 0.300 1.00 0.00 N ATOM 532 CA LEU B 115 17.867 12.703 1.403 1.00 0.00 C ATOM 533 C LEU B 115 16.969 11.547 0.918 1.00 0.00 C ATOM 534 O LEU B 115 16.824 10.551 1.625 1.00 0.00 O ATOM 535 CB LEU B 115 17.167 13.812 2.226 1.00 0.00 C ATOM 536 CG LEU B 115 15.717 14.174 1.865 1.00 0.00 C ATOM 537 CD1 LEU B 115 14.701 13.265 2.561 1.00 0.00 C ATOM 538 CD2 LEU B 115 15.414 15.599 2.323 1.00 0.00 C ATOM 0 H LEU B 115 18.375 14.263 0.094 1.00 0.00 H new ATOM 0 HA LEU B 115 18.542 12.215 2.106 1.00 0.00 H new ATOM 0 HB2 LEU B 115 17.185 13.512 3.274 1.00 0.00 H new ATOM 0 HB3 LEU B 115 17.767 14.718 2.144 1.00 0.00 H new ATOM 0 HG LEU B 115 15.629 14.061 0.785 1.00 0.00 H new ATOM 0 HD11 LEU B 115 13.692 13.561 2.274 1.00 0.00 H new ATOM 0 HD12 LEU B 115 14.874 12.231 2.264 1.00 0.00 H new ATOM 0 HD13 LEU B 115 14.812 13.355 3.642 1.00 0.00 H new ATOM 0 HD21 LEU B 115 14.386 15.853 2.066 1.00 0.00 H new ATOM 0 HD22 LEU B 115 15.546 15.670 3.403 1.00 0.00 H new ATOM 0 HD23 LEU B 115 16.094 16.293 1.828 1.00 0.00 H new ATOM 550 N TYR B 116 16.452 11.618 -0.318 1.00 0.00 N ATOM 551 CA TYR B 116 15.692 10.535 -0.965 1.00 0.00 C ATOM 552 C TYR B 116 16.527 9.251 -1.090 1.00 0.00 C ATOM 553 O TYR B 116 16.057 8.170 -0.731 1.00 0.00 O ATOM 554 CB TYR B 116 15.199 10.998 -2.351 1.00 0.00 C ATOM 555 CG TYR B 116 13.801 10.560 -2.759 1.00 0.00 C ATOM 556 CD1 TYR B 116 13.449 9.196 -2.812 1.00 0.00 C ATOM 557 CD2 TYR B 116 12.856 11.541 -3.135 1.00 0.00 C ATOM 558 CE1 TYR B 116 12.157 8.818 -3.222 1.00 0.00 C ATOM 559 CE2 TYR B 116 11.561 11.165 -3.542 1.00 0.00 C ATOM 560 CZ TYR B 116 11.209 9.799 -3.588 1.00 0.00 C ATOM 561 OH TYR B 116 9.961 9.426 -3.981 1.00 0.00 O ATOM 0 H TYR B 116 16.552 12.444 -0.908 1.00 0.00 H new ATOM 0 HA TYR B 116 14.832 10.303 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR B 116 15.236 12.087 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR B 116 15.902 10.635 -3.101 1.00 0.00 H new ATOM 0 HD1 TYR B 116 14.171 8.441 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR B 116 13.128 12.586 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR B 116 11.889 7.772 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR B 116 10.840 11.920 -3.818 1.00 0.00 H new ATOM 0 HH TYR B 116 9.434 10.224 -4.197 1.00 0.00 H new ATOM 571 N LEU B 117 17.775 9.367 -1.556 1.00 0.00 N ATOM 572 CA LEU B 117 18.691 8.238 -1.761 1.00 0.00 C ATOM 573 C LEU B 117 19.284 7.719 -0.439 1.00 0.00 C ATOM 574 O LEU B 117 19.416 6.506 -0.257 1.00 0.00 O ATOM 575 CB LEU B 117 19.801 8.657 -2.750 1.00 0.00 C ATOM 576 CG LEU B 117 19.517 8.411 -4.247 1.00 0.00 C ATOM 577 CD1 LEU B 117 19.515 6.915 -4.588 1.00 0.00 C ATOM 578 CD2 LEU B 117 18.199 9.009 -4.743 1.00 0.00 C ATOM 0 H LEU B 117 18.186 10.266 -1.807 1.00 0.00 H new ATOM 0 HA LEU B 117 18.124 7.408 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU B 117 19.999 9.720 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU B 117 20.714 8.125 -2.484 1.00 0.00 H new ATOM 0 HG LEU B 117 20.334 8.922 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU B 117 19.311 6.784 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU B 117 20.488 6.486 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU B 117 18.744 6.410 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU B 117 18.077 8.791 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU B 117 17.370 8.574 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU B 117 18.210 10.089 -4.594 1.00 0.00 H new ATOM 590 N VAL B 118 19.599 8.610 0.510 1.00 0.00 N ATOM 591 CA VAL B 118 20.173 8.238 1.824 1.00 0.00 C ATOM 592 C VAL B 118 19.150 7.497 2.696 1.00 0.00 C ATOM 593 O VAL B 118 19.530 6.639 3.491 1.00 0.00 O ATOM 594 CB VAL B 118 20.770 9.472 2.539 1.00 0.00 C ATOM 595 CG1 VAL B 118 21.235 9.181 3.965 1.00 0.00 C ATOM 596 CG2 VAL B 118 22.013 9.964 1.778 1.00 0.00 C ATOM 0 H VAL B 118 19.465 9.615 0.394 1.00 0.00 H new ATOM 0 HA VAL B 118 20.993 7.542 1.648 1.00 0.00 H new ATOM 0 HB VAL B 118 19.968 10.210 2.565 1.00 0.00 H new ATOM 0 HG11 VAL B 118 21.643 10.090 4.407 1.00 0.00 H new ATOM 0 HG12 VAL B 118 20.390 8.835 4.560 1.00 0.00 H new ATOM 0 HG13 VAL B 118 22.005 8.410 3.946 1.00 0.00 H new ATOM 0 HG21 VAL B 118 22.430 10.834 2.286 1.00 0.00 H new ATOM 0 HG22 VAL B 118 22.759 9.170 1.747 1.00 0.00 H new ATOM 0 HG23 VAL B 118 21.732 10.238 0.761 1.00 0.00 H new ATOM 606 N CYS B 119 17.851 7.746 2.500 1.00 0.00 N ATOM 607 CA CYS B 119 16.765 7.031 3.181 1.00 0.00 C ATOM 608 C CYS B 119 16.681 5.520 2.851 1.00 0.00 C ATOM 609 O CYS B 119 15.998 4.775 3.560 1.00 0.00 O ATOM 610 CB CYS B 119 15.453 7.755 2.852 1.00 0.00 C ATOM 611 SG CYS B 119 14.108 7.430 4.012 1.00 0.00 S ATOM 0 H CYS B 119 17.519 8.461 1.853 1.00 0.00 H new ATOM 0 HA CYS B 119 16.969 7.051 4.252 1.00 0.00 H new ATOM 0 HB2 CYS B 119 15.642 8.828 2.825 1.00 0.00 H new ATOM 0 HB3 CYS B 119 15.132 7.463 1.852 1.00 0.00 H new ATOM 616 N GLY B 120 17.381 5.060 1.807 1.00 0.00 N ATOM 617 CA GLY B 120 17.356 3.676 1.321 1.00 0.00 C ATOM 618 C GLY B 120 16.200 3.392 0.355 1.00 0.00 C ATOM 619 O GLY B 120 15.515 4.304 -0.110 1.00 0.00 O ATOM 0 H GLY B 120 17.999 5.660 1.261 1.00 0.00 H new ATOM 0 HA2 GLY B 120 18.300 3.457 0.821 1.00 0.00 H new ATOM 0 HA3 GLY B 120 17.282 3.000 2.173 1.00 0.00 H new ATOM 623 N GLU B 121 15.967 2.111 0.054 1.00 0.00 N ATOM 624 CA GLU B 121 15.015 1.659 -0.985 1.00 0.00 C ATOM 625 C GLU B 121 13.541 2.050 -0.733 1.00 0.00 C ATOM 626 O GLU B 121 12.731 2.057 -1.664 1.00 0.00 O ATOM 627 CB GLU B 121 15.162 0.141 -1.201 1.00 0.00 C ATOM 628 CG GLU B 121 14.757 -0.709 0.012 1.00 0.00 C ATOM 629 CD GLU B 121 14.921 -2.211 -0.295 1.00 0.00 C ATOM 630 OE1 GLU B 121 16.030 -2.764 -0.089 1.00 0.00 O ATOM 631 OE2 GLU B 121 13.940 -2.858 -0.736 1.00 0.00 O ATOM 0 H GLU B 121 16.438 1.341 0.529 1.00 0.00 H new ATOM 0 HA GLU B 121 15.285 2.195 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU B 121 14.554 -0.154 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU B 121 16.199 -0.080 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU B 121 15.370 -0.440 0.872 1.00 0.00 H new ATOM 0 HG3 GLU B 121 13.722 -0.499 0.280 1.00 0.00 H new ATOM 638 N ARG B 122 13.196 2.422 0.509 1.00 0.00 N ATOM 639 CA ARG B 122 11.885 2.977 0.897 1.00 0.00 C ATOM 640 C ARG B 122 11.635 4.390 0.342 1.00 0.00 C ATOM 641 O ARG B 122 10.491 4.721 0.025 1.00 0.00 O ATOM 642 CB ARG B 122 11.745 2.939 2.433 1.00 0.00 C ATOM 643 CG ARG B 122 12.853 3.701 3.185 1.00 0.00 C ATOM 644 CD ARG B 122 12.651 3.661 4.700 1.00 0.00 C ATOM 645 NE ARG B 122 13.802 4.265 5.394 1.00 0.00 N ATOM 646 CZ ARG B 122 13.838 4.693 6.643 1.00 0.00 C ATOM 647 NH1 ARG B 122 12.809 4.647 7.438 1.00 0.00 N ATOM 648 NH2 ARG B 122 14.930 5.186 7.145 1.00 0.00 N ATOM 0 H ARG B 122 13.839 2.344 1.297 1.00 0.00 H new ATOM 0 HA ARG B 122 11.116 2.350 0.447 1.00 0.00 H new ATOM 0 HB2 ARG B 122 10.778 3.359 2.709 1.00 0.00 H new ATOM 0 HB3 ARG B 122 11.746 1.900 2.762 1.00 0.00 H new ATOM 0 HG2 ARG B 122 13.822 3.268 2.937 1.00 0.00 H new ATOM 0 HG3 ARG B 122 12.872 4.738 2.849 1.00 0.00 H new ATOM 0 HD2 ARG B 122 11.739 4.196 4.965 1.00 0.00 H new ATOM 0 HD3 ARG B 122 12.522 2.629 5.028 1.00 0.00 H new ATOM 0 HE ARG B 122 14.661 4.363 4.853 1.00 0.00 H new ATOM 0 HH11 ARG B 122 11.923 4.267 7.104 1.00 0.00 H new ATOM 0 HH12 ARG B 122 12.888 4.991 8.395 1.00 0.00 H new ATOM 0 HH21 ARG B 122 15.773 5.246 6.573 1.00 0.00 H new ATOM 0 HH22 ARG B 122 14.945 5.513 8.111 1.00 0.00 H new ATOM 662 N GLY B 123 12.690 5.201 0.201 1.00 0.00 N ATOM 663 CA GLY B 123 12.628 6.601 -0.237 1.00 0.00 C ATOM 664 C GLY B 123 11.779 7.527 0.626 1.00 0.00 C ATOM 665 O GLY B 123 11.234 7.169 1.670 1.00 0.00 O ATOM 0 H GLY B 123 13.642 4.891 0.395 1.00 0.00 H new ATOM 0 HA2 GLY B 123 13.643 6.997 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY B 123 12.240 6.627 -1.255 1.00 0.00 H new ATOM 669 N PHE B 124 11.715 8.766 0.153 1.00 0.00 N ATOM 670 CA PHE B 124 11.101 9.900 0.836 1.00 0.00 C ATOM 671 C PHE B 124 9.610 10.082 0.486 1.00 0.00 C ATOM 672 O PHE B 124 8.832 10.565 1.310 1.00 0.00 O ATOM 673 CB PHE B 124 11.976 11.096 0.455 1.00 0.00 C ATOM 674 CG PHE B 124 11.553 12.441 0.983 1.00 0.00 C ATOM 675 CD1 PHE B 124 11.155 12.587 2.321 1.00 0.00 C ATOM 676 CD2 PHE B 124 11.635 13.559 0.137 1.00 0.00 C ATOM 677 CE1 PHE B 124 10.817 13.865 2.812 1.00 0.00 C ATOM 678 CE2 PHE B 124 11.324 14.840 0.633 1.00 0.00 C ATOM 679 CZ PHE B 124 10.902 14.990 1.968 1.00 0.00 C ATOM 0 H PHE B 124 12.106 9.019 -0.755 1.00 0.00 H new ATOM 0 HA PHE B 124 11.071 9.760 1.917 1.00 0.00 H new ATOM 0 HB2 PHE B 124 12.991 10.899 0.801 1.00 0.00 H new ATOM 0 HB3 PHE B 124 12.016 11.155 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE B 124 11.108 11.726 2.971 1.00 0.00 H new ATOM 0 HD2 PHE B 124 11.936 13.437 -0.893 1.00 0.00 H new ATOM 0 HE1 PHE B 124 10.493 13.982 3.836 1.00 0.00 H new ATOM 0 HE2 PHE B 124 11.409 15.705 -0.009 1.00 0.00 H new ATOM 0 HZ PHE B 124 10.643 15.968 2.345 1.00 0.00 H new ATOM 689 N PHE B 125 9.205 9.624 -0.706 1.00 0.00 N ATOM 690 CA PHE B 125 7.812 9.516 -1.169 1.00 0.00 C ATOM 691 C PHE B 125 7.015 10.834 -1.055 1.00 0.00 C ATOM 692 O PHE B 125 5.896 10.881 -0.538 1.00 0.00 O ATOM 693 CB PHE B 125 7.147 8.280 -0.533 1.00 0.00 C ATOM 694 CG PHE B 125 5.856 7.839 -1.202 1.00 0.00 C ATOM 695 CD1 PHE B 125 5.867 7.417 -2.546 1.00 0.00 C ATOM 696 CD2 PHE B 125 4.641 7.846 -0.485 1.00 0.00 C ATOM 697 CE1 PHE B 125 4.675 7.011 -3.173 1.00 0.00 C ATOM 698 CE2 PHE B 125 3.449 7.438 -1.113 1.00 0.00 C ATOM 699 CZ PHE B 125 3.465 7.021 -2.456 1.00 0.00 C ATOM 0 H PHE B 125 9.871 9.303 -1.409 1.00 0.00 H new ATOM 0 HA PHE B 125 7.814 9.348 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE B 125 7.854 7.451 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE B 125 6.942 8.494 0.516 1.00 0.00 H new ATOM 0 HD1 PHE B 125 6.795 7.405 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE B 125 4.625 8.165 0.547 1.00 0.00 H new ATOM 0 HE1 PHE B 125 4.689 6.692 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE B 125 2.520 7.445 -0.562 1.00 0.00 H new ATOM 0 HZ PHE B 125 2.549 6.709 -2.936 1.00 0.00 H new ATOM 709 N TYR B 126 7.616 11.921 -1.550 1.00 0.00 N ATOM 710 CA TYR B 126 7.022 13.261 -1.601 1.00 0.00 C ATOM 711 C TYR B 126 7.231 13.928 -2.973 1.00 0.00 C ATOM 712 O TYR B 126 8.261 13.726 -3.625 1.00 0.00 O ATOM 713 CB TYR B 126 7.595 14.124 -0.465 1.00 0.00 C ATOM 714 CG TYR B 126 7.018 15.529 -0.426 1.00 0.00 C ATOM 715 CD1 TYR B 126 5.669 15.717 -0.064 1.00 0.00 C ATOM 716 CD2 TYR B 126 7.801 16.637 -0.813 1.00 0.00 C ATOM 717 CE1 TYR B 126 5.098 17.004 -0.112 1.00 0.00 C ATOM 718 CE2 TYR B 126 7.236 17.929 -0.851 1.00 0.00 C ATOM 719 CZ TYR B 126 5.879 18.113 -0.511 1.00 0.00 C ATOM 720 OH TYR B 126 5.312 19.351 -0.571 1.00 0.00 O ATOM 0 H TYR B 126 8.559 11.892 -1.938 1.00 0.00 H new ATOM 0 HA TYR B 126 5.945 13.166 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR B 126 7.401 13.633 0.488 1.00 0.00 H new ATOM 0 HB3 TYR B 126 8.677 14.187 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR B 126 5.072 14.874 0.251 1.00 0.00 H new ATOM 0 HD2 TYR B 126 8.838 16.495 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR B 126 4.061 17.144 0.157 1.00 0.00 H new ATOM 0 HE2 TYR B 126 7.841 18.776 -1.140 1.00 0.00 H new ATOM 0 HH TYR B 126 4.458 19.343 -0.091 1.00 0.00 H new ATOM 730 N THR B 127 6.265 14.755 -3.377 1.00 0.00 N ATOM 731 CA THR B 127 6.296 15.591 -4.589 1.00 0.00 C ATOM 732 C THR B 127 5.887 17.027 -4.213 1.00 0.00 C ATOM 733 O THR B 127 4.853 17.188 -3.553 1.00 0.00 O ATOM 734 CB THR B 127 5.346 15.045 -5.673 1.00 0.00 C ATOM 735 OG1 THR B 127 5.658 13.696 -5.967 1.00 0.00 O ATOM 736 CG2 THR B 127 5.457 15.814 -6.994 1.00 0.00 C ATOM 0 H THR B 127 5.400 14.869 -2.849 1.00 0.00 H new ATOM 0 HA THR B 127 7.307 15.579 -4.996 1.00 0.00 H new ATOM 0 HB THR B 127 4.340 15.152 -5.268 1.00 0.00 H new ATOM 0 HG1 THR B 127 5.046 13.361 -6.655 1.00 0.00 H new ATOM 0 HG21 THR B 127 4.767 15.388 -7.722 1.00 0.00 H new ATOM 0 HG22 THR B 127 5.207 16.862 -6.827 1.00 0.00 H new ATOM 0 HG23 THR B 127 6.476 15.740 -7.374 1.00 0.00 H new ATOM 744 N PRO B 128 6.640 18.077 -4.609 1.00 0.00 N ATOM 745 CA PRO B 128 6.340 19.467 -4.249 1.00 0.00 C ATOM 746 C PRO B 128 4.931 19.949 -4.635 1.00 0.00 C ATOM 747 O PRO B 128 4.351 19.514 -5.635 1.00 0.00 O ATOM 748 CB PRO B 128 7.426 20.310 -4.927 1.00 0.00 C ATOM 749 CG PRO B 128 8.617 19.356 -4.987 1.00 0.00 C ATOM 750 CD PRO B 128 7.943 18.015 -5.266 1.00 0.00 C ATOM 0 HA PRO B 128 6.343 19.565 -3.163 1.00 0.00 H new ATOM 0 HB2 PRO B 128 7.121 20.637 -5.921 1.00 0.00 H new ATOM 0 HB3 PRO B 128 7.657 21.208 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO B 128 9.319 19.630 -5.774 1.00 0.00 H new ATOM 0 HG3 PRO B 128 9.176 19.344 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO B 128 7.832 17.849 -6.338 1.00 0.00 H new ATOM 0 HD3 PRO B 128 8.538 17.190 -4.875 1.00 0.00 H new ATOM 758 N LYS B 129 4.401 20.888 -3.840 1.00 0.00 N ATOM 759 CA LYS B 129 3.050 21.467 -3.951 1.00 0.00 C ATOM 760 C LYS B 129 3.082 22.977 -3.658 1.00 0.00 C ATOM 761 O LYS B 129 3.922 23.435 -2.880 1.00 0.00 O ATOM 762 CB LYS B 129 2.126 20.695 -2.983 1.00 0.00 C ATOM 763 CG LYS B 129 0.644 21.105 -3.062 1.00 0.00 C ATOM 764 CD LYS B 129 -0.213 20.234 -2.131 1.00 0.00 C ATOM 765 CE LYS B 129 -1.685 20.672 -2.099 1.00 0.00 C ATOM 766 NZ LYS B 129 -2.393 20.400 -3.378 1.00 0.00 N ATOM 0 H LYS B 129 4.927 21.286 -3.062 1.00 0.00 H new ATOM 0 HA LYS B 129 2.664 21.366 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS B 129 2.208 19.629 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.479 20.847 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS B 129 0.537 22.154 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS B 129 0.289 21.007 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -0.154 19.195 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS B 129 0.196 20.276 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -2.196 20.153 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -1.738 21.738 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -3.381 20.715 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -1.925 20.915 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -2.369 19.380 -3.578 1.00 0.00 H new ATOM 780 N THR B 130 2.159 23.745 -4.238 1.00 0.00 N ATOM 781 CA THR B 130 1.962 25.171 -3.908 1.00 0.00 C ATOM 782 C THR B 130 1.196 25.295 -2.585 1.00 0.00 C ATOM 783 O THR B 130 0.023 24.911 -2.508 1.00 0.00 O ATOM 784 CB THR B 130 1.236 25.920 -5.040 1.00 0.00 C ATOM 785 OG1 THR B 130 1.983 25.831 -6.240 1.00 0.00 O ATOM 786 CG2 THR B 130 1.079 27.415 -4.752 1.00 0.00 C ATOM 0 H THR B 130 1.520 23.401 -4.955 1.00 0.00 H new ATOM 0 HA THR B 130 2.941 25.636 -3.795 1.00 0.00 H new ATOM 0 HB THR B 130 0.255 25.452 -5.123 1.00 0.00 H new ATOM 0 HG1 THR B 130 1.512 26.309 -6.955 1.00 0.00 H new ATOM 0 HG21 THR B 130 0.561 27.893 -5.583 1.00 0.00 H new ATOM 0 HG22 THR B 130 0.501 27.551 -3.838 1.00 0.00 H new ATOM 0 HG23 THR B 130 2.063 27.867 -4.630 1.00 0.00 H new ATOM 794 N ARG B 131 1.866 25.799 -1.539 1.00 0.00 N ATOM 795 CA ARG B 131 1.364 25.920 -0.153 1.00 0.00 C ATOM 796 C ARG B 131 2.048 27.054 0.626 1.00 0.00 C ATOM 797 O ARG B 131 3.214 27.391 0.315 1.00 0.00 O ATOM 798 CB ARG B 131 1.491 24.566 0.576 1.00 0.00 C ATOM 799 CG ARG B 131 2.921 23.998 0.638 1.00 0.00 C ATOM 800 CD ARG B 131 2.922 22.590 1.247 1.00 0.00 C ATOM 801 NE ARG B 131 4.227 21.919 1.075 1.00 0.00 N ATOM 802 CZ ARG B 131 5.259 21.917 1.897 1.00 0.00 C ATOM 803 NH1 ARG B 131 5.278 22.604 3.003 1.00 0.00 N ATOM 804 NH2 ARG B 131 6.302 21.200 1.605 1.00 0.00 N ATOM 805 OXT ARG B 131 1.400 27.609 1.542 1.00 0.00 O ATOM 0 H ARG B 131 2.818 26.152 -1.636 1.00 0.00 H new ATOM 0 HA ARG B 131 0.309 26.189 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG B 131 1.116 24.680 1.593 1.00 0.00 H new ATOM 0 HB3 ARG B 131 0.848 23.840 0.079 1.00 0.00 H new ATOM 0 HG2 ARG B 131 3.348 23.966 -0.364 1.00 0.00 H new ATOM 0 HG3 ARG B 131 3.553 24.657 1.233 1.00 0.00 H new ATOM 0 HD2 ARG B 131 2.683 22.653 2.309 1.00 0.00 H new ATOM 0 HD3 ARG B 131 2.141 21.991 0.779 1.00 0.00 H new ATOM 0 HE ARG B 131 4.345 21.390 0.211 1.00 0.00 H new ATOM 0 HH11 ARG B 131 4.473 23.173 3.264 1.00 0.00 H new ATOM 0 HH12 ARG B 131 6.098 22.573 3.609 1.00 0.00 H new ATOM 0 HH21 ARG B 131 6.317 20.647 0.748 1.00 0.00 H new ATOM 0 HH22 ARG B 131 7.106 21.190 2.233 1.00 0.00 H new TER 819 ARG B 131