USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 623 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 Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00532) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0043 (180deg=-0.119) USER MOD Single : A 3 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.7!) USER MOD Single : A 5 TYR OH : rot 120:sc= -0.0172 USER MOD Single : A 8 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.5) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -22:sc= 0.519 USER MOD Single : A 14 THR OG1 : rot -47:sc= -0.314! USER MOD Single : A 15 SER OG : rot -160:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 24 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.197 F(o=-1.3,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0116) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0.438 (180deg=0.387) USER MOD Single : A 50 MET CE :methyl -111:sc= -3.1! (180deg=-5.11!) USER MOD Single : A 51 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -122:sc= 0.00231 (180deg=-0.956) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.562 F(o=0,f=0.56) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.964 4.902 -15.553 1.00 0.00 N ATOM 2 CA MET A 1 3.264 3.956 -14.446 1.00 0.00 C ATOM 3 C MET A 1 4.071 4.635 -13.344 1.00 0.00 C ATOM 4 O MET A 1 5.280 4.827 -13.474 1.00 0.00 O ATOM 5 CB MET A 1 4.044 2.771 -15.018 1.00 0.00 C ATOM 6 CG MET A 1 3.217 1.887 -15.939 1.00 0.00 C ATOM 7 SD MET A 1 4.054 1.525 -17.496 1.00 0.00 S ATOM 8 CE MET A 1 5.433 0.539 -16.918 1.00 0.00 C ATOM 0 H1 MET A 1 2.159 4.545 -16.106 1.00 0.00 H new ATOM 0 H2 MET A 1 2.727 5.834 -15.158 1.00 0.00 H new ATOM 0 H3 MET A 1 3.796 4.989 -16.170 1.00 0.00 H new ATOM 0 HA MET A 1 2.329 3.613 -14.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.908 3.146 -15.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.427 2.167 -14.195 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.988 0.952 -15.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.266 2.377 -16.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.026 0.208 -17.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.055 1.138 -16.253 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.058 -0.330 -16.378 1.00 0.00 H new ATOM 20 N ARG A 2 3.393 4.994 -12.259 1.00 0.00 N ATOM 21 CA ARG A 2 4.046 5.652 -11.133 1.00 0.00 C ATOM 22 C ARG A 2 4.356 4.653 -10.022 1.00 0.00 C ATOM 23 O ARG A 2 3.988 3.481 -10.106 1.00 0.00 O ATOM 24 CB ARG A 2 3.163 6.776 -10.590 1.00 0.00 C ATOM 25 CG ARG A 2 3.124 8.005 -11.484 1.00 0.00 C ATOM 26 CD ARG A 2 4.204 9.004 -11.103 1.00 0.00 C ATOM 27 NE ARG A 2 3.974 10.316 -11.703 1.00 0.00 N ATOM 28 CZ ARG A 2 4.914 11.248 -11.833 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.151 11.017 -11.408 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.621 12.414 -12.392 1.00 0.00 N ATOM 0 H ARG A 2 2.392 4.841 -12.135 1.00 0.00 H new ATOM 0 HA ARG A 2 4.985 6.076 -11.489 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.148 6.399 -10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.524 7.066 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.255 7.705 -12.524 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.145 8.479 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.239 9.103 -10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.176 8.626 -11.421 1.00 0.00 H new ATOM 0 HE ARG A 2 3.036 10.530 -12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.384 10.121 -10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.868 11.735 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.674 12.597 -12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.343 13.128 -12.491 1.00 0.00 H new ATOM 44 N ASN A 3 5.037 5.125 -8.983 1.00 0.00 N ATOM 45 CA ASN A 3 5.398 4.276 -7.854 1.00 0.00 C ATOM 46 C ASN A 3 4.836 4.836 -6.552 1.00 0.00 C ATOM 47 O ASN A 3 5.151 5.960 -6.160 1.00 0.00 O ATOM 48 CB ASN A 3 6.919 4.144 -7.752 1.00 0.00 C ATOM 49 CG ASN A 3 7.544 3.649 -9.041 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.842 3.273 -9.980 1.00 0.00 O ATOM 51 ND2 ASN A 3 8.870 3.646 -9.093 1.00 0.00 N ATOM 0 H ASN A 3 5.350 6.092 -8.900 1.00 0.00 H new ATOM 0 HA ASN A 3 4.966 3.289 -8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.348 5.111 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.168 3.457 -6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.347 3.323 -9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.413 3.966 -8.291 1.00 0.00 H new ATOM 58 N ILE A 4 4.000 4.046 -5.887 1.00 0.00 N ATOM 59 CA ILE A 4 3.391 4.463 -4.630 1.00 0.00 C ATOM 60 C ILE A 4 3.935 3.651 -3.460 1.00 0.00 C ATOM 61 O ILE A 4 4.012 2.424 -3.526 1.00 0.00 O ATOM 62 CB ILE A 4 1.858 4.317 -4.672 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.298 4.924 -5.962 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.229 4.972 -3.452 1.00 0.00 C ATOM 65 CD1 ILE A 4 0.579 3.922 -6.838 1.00 0.00 C ATOM 0 H ILE A 4 3.729 3.113 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 4 3.645 5.514 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 4 1.609 3.256 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.610 5.730 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.115 5.370 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.146 4.860 -3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.606 4.494 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.484 6.032 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.209 4.421 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.269 3.128 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.259 3.494 -6.289 1.00 0.00 H new ATOM 77 N TYR A 5 4.311 4.341 -2.388 1.00 0.00 N ATOM 78 CA TYR A 5 4.847 3.682 -1.203 1.00 0.00 C ATOM 79 C TYR A 5 3.834 3.704 -0.063 1.00 0.00 C ATOM 80 O TYR A 5 3.108 4.682 0.117 1.00 0.00 O ATOM 81 CB TYR A 5 6.145 4.357 -0.759 1.00 0.00 C ATOM 82 CG TYR A 5 7.088 3.430 -0.027 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.968 2.612 -0.724 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.098 3.372 1.362 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.831 1.762 -0.058 1.00 0.00 C ATOM 86 CE2 TYR A 5 7.959 2.526 2.034 1.00 0.00 C ATOM 87 CZ TYR A 5 8.823 1.723 1.321 1.00 0.00 C ATOM 88 OH TYR A 5 9.681 0.880 1.986 1.00 0.00 O ATOM 0 H TYR A 5 4.254 5.357 -2.316 1.00 0.00 H new ATOM 0 HA TYR A 5 5.056 2.644 -1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.653 4.761 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.904 5.201 -0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.978 2.641 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.422 3.998 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.508 1.131 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.955 2.494 3.114 1.00 0.00 H new ATOM 0 HH TYR A 5 10.270 1.405 2.567 1.00 0.00 H new ATOM 98 N VAL A 6 3.791 2.619 0.703 1.00 0.00 N ATOM 99 CA VAL A 6 2.869 2.512 1.827 1.00 0.00 C ATOM 100 C VAL A 6 3.507 1.753 2.987 1.00 0.00 C ATOM 101 O VAL A 6 3.913 0.601 2.838 1.00 0.00 O ATOM 102 CB VAL A 6 1.563 1.806 1.410 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.854 0.409 0.879 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.584 1.752 2.576 1.00 0.00 C ATOM 0 H VAL A 6 4.385 1.801 0.565 1.00 0.00 H new ATOM 0 HA VAL A 6 2.635 3.526 2.151 1.00 0.00 H new ATOM 0 HB VAL A 6 1.102 2.383 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.920 -0.072 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.510 0.479 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.341 -0.181 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.331 1.250 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.033 1.202 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.348 2.766 2.900 1.00 0.00 H new ATOM 114 N GLY A 7 3.597 2.408 4.140 1.00 0.00 N ATOM 115 CA GLY A 7 4.193 1.780 5.305 1.00 0.00 C ATOM 116 C GLY A 7 3.163 1.348 6.330 1.00 0.00 C ATOM 117 O GLY A 7 1.962 1.359 6.059 1.00 0.00 O ATOM 0 H GLY A 7 3.268 3.362 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.771 0.911 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.892 2.476 5.770 1.00 0.00 H new ATOM 121 N ASN A 8 3.637 0.964 7.512 1.00 0.00 N ATOM 122 CA ASN A 8 2.755 0.523 8.587 1.00 0.00 C ATOM 123 C ASN A 8 2.004 -0.744 8.191 1.00 0.00 C ATOM 124 O ASN A 8 0.884 -0.979 8.645 1.00 0.00 O ATOM 125 CB ASN A 8 1.760 1.628 8.947 1.00 0.00 C ATOM 126 CG ASN A 8 1.021 1.341 10.240 1.00 0.00 C ATOM 127 OD1 ASN A 8 -0.184 1.087 10.236 1.00 0.00 O ATOM 128 ND2 ASN A 8 1.741 1.381 11.355 1.00 0.00 N ATOM 0 H ASN A 8 4.629 0.950 7.749 1.00 0.00 H new ATOM 0 HA ASN A 8 3.371 0.301 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.291 2.576 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.039 1.742 8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.298 1.197 12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.737 1.596 11.311 1.00 0.00 H new ATOM 135 N LEU A 9 2.624 -1.557 7.341 1.00 0.00 N ATOM 136 CA LEU A 9 2.006 -2.798 6.889 1.00 0.00 C ATOM 137 C LEU A 9 2.576 -4.000 7.636 1.00 0.00 C ATOM 138 O LEU A 9 3.662 -3.931 8.209 1.00 0.00 O ATOM 139 CB LEU A 9 2.207 -2.975 5.382 1.00 0.00 C ATOM 140 CG LEU A 9 1.633 -1.853 4.513 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.659 -2.250 3.046 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.214 -1.510 4.948 1.00 0.00 C ATOM 0 H LEU A 9 3.550 -1.379 6.953 1.00 0.00 H new ATOM 0 HA LEU A 9 0.939 -2.738 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.275 -3.058 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.751 -3.917 5.079 1.00 0.00 H new ATOM 0 HG LEU A 9 2.255 -0.967 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.247 -1.441 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.687 -2.444 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.061 -3.150 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.176 -0.710 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.420 -2.391 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.221 -1.182 5.988 1.00 0.00 H new ATOM 154 N VAL A 10 1.830 -5.101 7.625 1.00 0.00 N ATOM 155 CA VAL A 10 2.252 -6.322 8.301 1.00 0.00 C ATOM 156 C VAL A 10 1.595 -7.549 7.661 1.00 0.00 C ATOM 157 O VAL A 10 1.027 -7.458 6.573 1.00 0.00 O ATOM 158 CB VAL A 10 1.925 -6.259 9.814 1.00 0.00 C ATOM 159 CG1 VAL A 10 0.535 -6.808 10.112 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.985 -6.993 10.623 1.00 0.00 C ATOM 0 H VAL A 10 0.928 -5.172 7.154 1.00 0.00 H new ATOM 0 HA VAL A 10 3.333 -6.412 8.190 1.00 0.00 H new ATOM 0 HB VAL A 10 1.931 -5.210 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.342 -6.747 11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.211 -6.222 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.478 -7.848 9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.737 -6.937 11.683 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.021 -8.037 10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.957 -6.531 10.453 1.00 0.00 H new ATOM 170 N TYR A 11 1.674 -8.693 8.338 1.00 0.00 N ATOM 171 CA TYR A 11 1.085 -9.929 7.827 1.00 0.00 C ATOM 172 C TYR A 11 -0.354 -9.703 7.371 1.00 0.00 C ATOM 173 O TYR A 11 -0.757 -10.160 6.301 1.00 0.00 O ATOM 174 CB TYR A 11 1.125 -11.018 8.902 1.00 0.00 C ATOM 175 CG TYR A 11 1.443 -12.394 8.362 1.00 0.00 C ATOM 176 CD1 TYR A 11 0.514 -13.096 7.605 1.00 0.00 C ATOM 177 CD2 TYR A 11 2.673 -12.991 8.612 1.00 0.00 C ATOM 178 CE1 TYR A 11 0.801 -14.354 7.112 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.966 -14.249 8.122 1.00 0.00 C ATOM 180 CZ TYR A 11 2.028 -14.926 7.372 1.00 0.00 C ATOM 181 OH TYR A 11 2.316 -16.180 6.883 1.00 0.00 O ATOM 0 H TYR A 11 2.139 -8.790 9.240 1.00 0.00 H new ATOM 0 HA TYR A 11 1.672 -10.252 6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.871 -10.750 9.651 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.161 -11.051 9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.448 -12.651 7.398 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.411 -12.463 9.198 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.067 -14.887 6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.926 -14.700 8.326 1.00 0.00 H new ATOM 0 HH TYR A 11 3.222 -16.437 7.155 1.00 0.00 H new ATOM 191 N SER A 12 -1.123 -8.992 8.189 1.00 0.00 N ATOM 192 CA SER A 12 -2.515 -8.699 7.872 1.00 0.00 C ATOM 193 C SER A 12 -2.894 -7.304 8.359 1.00 0.00 C ATOM 194 O SER A 12 -3.915 -7.120 9.023 1.00 0.00 O ATOM 195 CB SER A 12 -3.435 -9.745 8.502 1.00 0.00 C ATOM 196 OG SER A 12 -4.481 -10.105 7.617 1.00 0.00 O ATOM 0 H SER A 12 -0.804 -8.607 9.078 1.00 0.00 H new ATOM 0 HA SER A 12 -2.635 -8.732 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.857 -10.631 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.857 -9.353 9.427 1.00 0.00 H new ATOM 0 HG SER A 12 -4.618 -9.388 6.963 1.00 0.00 H new ATOM 202 N ALA A 13 -2.060 -6.323 8.028 1.00 0.00 N ATOM 203 CA ALA A 13 -2.299 -4.944 8.432 1.00 0.00 C ATOM 204 C ALA A 13 -3.564 -4.387 7.786 1.00 0.00 C ATOM 205 O ALA A 13 -4.600 -4.262 8.437 1.00 0.00 O ATOM 206 CB ALA A 13 -1.100 -4.076 8.080 1.00 0.00 C ATOM 0 H ALA A 13 -1.211 -6.459 7.480 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.442 -4.931 9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.292 -3.048 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.216 -4.450 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.932 -4.107 7.004 1.00 0.00 H new ATOM 212 N THR A 14 -3.471 -4.050 6.503 1.00 0.00 N ATOM 213 CA THR A 14 -4.610 -3.502 5.774 1.00 0.00 C ATOM 214 C THR A 14 -4.379 -3.551 4.267 1.00 0.00 C ATOM 215 O THR A 14 -5.308 -3.796 3.497 1.00 0.00 O ATOM 216 CB THR A 14 -4.877 -2.060 6.211 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.504 -1.865 7.564 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.327 -1.652 6.073 1.00 0.00 C ATOM 0 H THR A 14 -2.621 -4.146 5.948 1.00 0.00 H new ATOM 0 HA THR A 14 -5.480 -4.116 6.007 1.00 0.00 H new ATOM 0 HB THR A 14 -4.276 -1.442 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.855 -2.600 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.447 -0.619 6.400 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.632 -1.741 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.948 -2.302 6.689 1.00 0.00 H new ATOM 226 N SER A 15 -3.139 -3.311 3.845 1.00 0.00 N ATOM 227 CA SER A 15 -2.798 -3.325 2.426 1.00 0.00 C ATOM 228 C SER A 15 -3.330 -4.579 1.739 1.00 0.00 C ATOM 229 O SER A 15 -4.030 -4.496 0.731 1.00 0.00 O ATOM 230 CB SER A 15 -1.282 -3.231 2.242 1.00 0.00 C ATOM 231 OG SER A 15 -0.950 -2.354 1.180 1.00 0.00 O ATOM 0 H SER A 15 -2.356 -3.105 4.465 1.00 0.00 H new ATOM 0 HA SER A 15 -3.269 -2.458 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.822 -2.879 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.875 -4.222 2.040 1.00 0.00 H new ATOM 0 HG SER A 15 -0.039 -2.543 0.873 1.00 0.00 H new ATOM 237 N GLU A 16 -3.001 -5.738 2.297 1.00 0.00 N ATOM 238 CA GLU A 16 -3.458 -7.004 1.738 1.00 0.00 C ATOM 239 C GLU A 16 -4.976 -7.125 1.843 1.00 0.00 C ATOM 240 O GLU A 16 -5.590 -7.962 1.182 1.00 0.00 O ATOM 241 CB GLU A 16 -2.788 -8.177 2.458 1.00 0.00 C ATOM 242 CG GLU A 16 -3.098 -8.235 3.945 1.00 0.00 C ATOM 243 CD GLU A 16 -4.446 -8.865 4.235 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.870 -9.745 3.457 1.00 0.00 O ATOM 245 OE2 GLU A 16 -5.079 -8.477 5.241 1.00 0.00 O ATOM 0 H GLU A 16 -2.422 -5.827 3.132 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.180 -7.030 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.108 -9.109 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.709 -8.107 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.319 -8.803 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.077 -7.226 4.357 1.00 0.00 H new ATOM 252 N GLN A 17 -5.576 -6.281 2.679 1.00 0.00 N ATOM 253 CA GLN A 17 -7.021 -6.288 2.872 1.00 0.00 C ATOM 254 C GLN A 17 -7.709 -5.337 1.898 1.00 0.00 C ATOM 255 O GLN A 17 -8.802 -5.618 1.406 1.00 0.00 O ATOM 256 CB GLN A 17 -7.359 -5.903 4.315 1.00 0.00 C ATOM 257 CG GLN A 17 -8.851 -5.791 4.586 1.00 0.00 C ATOM 258 CD GLN A 17 -9.188 -5.941 6.057 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.733 -6.960 6.480 1.00 0.00 O ATOM 260 NE2 GLN A 17 -8.865 -4.922 6.844 1.00 0.00 N ATOM 0 H GLN A 17 -5.081 -5.583 3.234 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.387 -7.296 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.931 -6.645 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.884 -4.950 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.210 -4.825 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.379 -6.556 4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.414 -4.096 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.068 -4.965 7.843 1.00 0.00 H new ATOM 269 N VAL A 18 -7.065 -4.204 1.629 1.00 0.00 N ATOM 270 CA VAL A 18 -7.617 -3.204 0.722 1.00 0.00 C ATOM 271 C VAL A 18 -7.177 -3.447 -0.721 1.00 0.00 C ATOM 272 O VAL A 18 -7.831 -2.993 -1.659 1.00 0.00 O ATOM 273 CB VAL A 18 -7.205 -1.779 1.144 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.693 -1.618 1.091 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.891 -0.741 0.267 1.00 0.00 C ATOM 0 H VAL A 18 -6.159 -3.956 2.027 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.702 -3.296 0.779 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.526 -1.620 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.424 -0.606 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.227 -2.334 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.343 -1.799 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.588 0.258 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.605 -0.897 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.972 -0.839 0.365 1.00 0.00 H new ATOM 285 N LYS A 19 -6.068 -4.162 -0.895 1.00 0.00 N ATOM 286 CA LYS A 19 -5.549 -4.454 -2.228 1.00 0.00 C ATOM 287 C LYS A 19 -6.644 -5.014 -3.134 1.00 0.00 C ATOM 288 O LYS A 19 -6.612 -4.828 -4.350 1.00 0.00 O ATOM 289 CB LYS A 19 -4.384 -5.443 -2.144 1.00 0.00 C ATOM 290 CG LYS A 19 -4.792 -6.830 -1.675 1.00 0.00 C ATOM 291 CD LYS A 19 -3.718 -7.861 -1.983 1.00 0.00 C ATOM 292 CE LYS A 19 -4.324 -9.213 -2.318 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.616 -9.348 -3.772 1.00 0.00 N ATOM 0 H LYS A 19 -5.513 -4.549 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.191 -3.519 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.916 -5.524 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.631 -5.046 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.982 -6.811 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.725 -7.119 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.110 -7.516 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.052 -7.962 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.639 -10.003 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.244 -9.349 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.028 -10.285 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.289 -8.610 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.735 -9.244 -4.314 1.00 0.00 H new ATOM 307 N GLU A 20 -7.612 -5.698 -2.533 1.00 0.00 N ATOM 308 CA GLU A 20 -8.716 -6.281 -3.285 1.00 0.00 C ATOM 309 C GLU A 20 -9.613 -5.188 -3.859 1.00 0.00 C ATOM 310 O GLU A 20 -10.144 -5.321 -4.962 1.00 0.00 O ATOM 311 CB GLU A 20 -9.536 -7.213 -2.392 1.00 0.00 C ATOM 312 CG GLU A 20 -8.821 -8.510 -2.048 1.00 0.00 C ATOM 313 CD GLU A 20 -9.544 -9.309 -0.983 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.274 -8.698 -0.175 1.00 0.00 O ATOM 315 OE2 GLU A 20 -9.378 -10.547 -0.955 1.00 0.00 O ATOM 0 H GLU A 20 -7.654 -5.862 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.298 -6.858 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.787 -6.690 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.476 -7.447 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.723 -9.117 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.811 -8.284 -1.705 1.00 0.00 H new ATOM 322 N LEU A 21 -9.773 -4.108 -3.103 1.00 0.00 N ATOM 323 CA LEU A 21 -10.602 -2.988 -3.531 1.00 0.00 C ATOM 324 C LEU A 21 -9.795 -2.004 -4.373 1.00 0.00 C ATOM 325 O LEU A 21 -10.334 -1.340 -5.259 1.00 0.00 O ATOM 326 CB LEU A 21 -11.192 -2.271 -2.315 1.00 0.00 C ATOM 327 CG LEU A 21 -12.040 -1.039 -2.638 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.447 -1.450 -3.041 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.079 -0.095 -1.444 1.00 0.00 C ATOM 0 H LEU A 21 -9.338 -3.984 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.414 -3.382 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.805 -2.979 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.376 -1.969 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.583 -0.515 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.035 -0.561 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.401 -2.088 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.915 -1.996 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.686 0.777 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.513 -0.610 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.066 0.225 -1.200 1.00 0.00 H new ATOM 341 N PHE A 22 -8.499 -1.917 -4.090 1.00 0.00 N ATOM 342 CA PHE A 22 -7.615 -1.014 -4.820 1.00 0.00 C ATOM 343 C PHE A 22 -7.647 -1.305 -6.318 1.00 0.00 C ATOM 344 O PHE A 22 -7.357 -0.431 -7.134 1.00 0.00 O ATOM 345 CB PHE A 22 -6.183 -1.136 -4.292 1.00 0.00 C ATOM 346 CG PHE A 22 -5.666 0.127 -3.666 1.00 0.00 C ATOM 347 CD1 PHE A 22 -5.611 1.305 -4.393 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.236 0.137 -2.349 1.00 0.00 C ATOM 349 CE1 PHE A 22 -5.138 2.469 -3.819 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.761 1.298 -1.769 1.00 0.00 C ATOM 351 CZ PHE A 22 -4.711 2.466 -2.506 1.00 0.00 C ATOM 0 H PHE A 22 -8.037 -2.461 -3.361 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.969 0.005 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.143 -1.940 -3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.525 -1.421 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.942 1.313 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.272 -0.773 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.102 3.381 -4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.429 1.293 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.339 3.374 -2.056 1.00 0.00 H new ATOM 361 N SER A 23 -8.000 -2.536 -6.674 1.00 0.00 N ATOM 362 CA SER A 23 -8.068 -2.936 -8.076 1.00 0.00 C ATOM 363 C SER A 23 -9.391 -2.512 -8.706 1.00 0.00 C ATOM 364 O SER A 23 -9.478 -2.316 -9.918 1.00 0.00 O ATOM 365 CB SER A 23 -7.893 -4.451 -8.202 1.00 0.00 C ATOM 366 OG SER A 23 -6.891 -4.925 -7.319 1.00 0.00 O ATOM 0 H SER A 23 -8.243 -3.273 -6.012 1.00 0.00 H new ATOM 0 HA SER A 23 -7.260 -2.435 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.838 -4.948 -7.985 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.627 -4.705 -9.228 1.00 0.00 H new ATOM 0 HG SER A 23 -6.800 -5.896 -7.418 1.00 0.00 H new ATOM 372 N GLN A 24 -10.421 -2.372 -7.877 1.00 0.00 N ATOM 373 CA GLN A 24 -11.739 -1.971 -8.358 1.00 0.00 C ATOM 374 C GLN A 24 -11.894 -0.453 -8.343 1.00 0.00 C ATOM 375 O GLN A 24 -12.702 0.104 -9.087 1.00 0.00 O ATOM 376 CB GLN A 24 -12.832 -2.615 -7.503 1.00 0.00 C ATOM 377 CG GLN A 24 -13.273 -3.979 -8.005 1.00 0.00 C ATOM 378 CD GLN A 24 -14.748 -4.240 -7.764 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.463 -4.696 -8.656 1.00 0.00 O ATOM 380 NE2 GLN A 24 -15.209 -3.953 -6.553 1.00 0.00 N ATOM 0 H GLN A 24 -10.369 -2.530 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.839 -2.314 -9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.470 -2.714 -6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.696 -1.951 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.064 -4.054 -9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.685 -4.752 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.580 -3.576 -5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.192 -4.109 -6.331 1.00 0.00 H new ATOM 389 N PHE A 25 -11.122 0.214 -7.489 1.00 0.00 N ATOM 390 CA PHE A 25 -11.184 1.668 -7.379 1.00 0.00 C ATOM 391 C PHE A 25 -9.915 2.316 -7.924 1.00 0.00 C ATOM 392 O PHE A 25 -9.951 3.434 -8.440 1.00 0.00 O ATOM 393 CB PHE A 25 -11.394 2.079 -5.920 1.00 0.00 C ATOM 394 CG PHE A 25 -12.355 3.221 -5.751 1.00 0.00 C ATOM 395 CD1 PHE A 25 -12.011 4.499 -6.157 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.603 3.014 -5.185 1.00 0.00 C ATOM 397 CE1 PHE A 25 -12.892 5.551 -6.002 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.490 4.062 -5.028 1.00 0.00 C ATOM 399 CZ PHE A 25 -14.134 5.332 -5.437 1.00 0.00 C ATOM 0 H PHE A 25 -10.448 -0.228 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.028 2.015 -7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.761 1.220 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.433 2.356 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -11.042 4.675 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.885 2.023 -4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.611 6.543 -6.322 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.460 3.888 -4.586 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.825 6.153 -5.315 1.00 0.00 H new ATOM 409 N GLY A 26 -8.794 1.613 -7.804 1.00 0.00 N ATOM 410 CA GLY A 26 -7.531 2.143 -8.286 1.00 0.00 C ATOM 411 C GLY A 26 -6.991 1.379 -9.481 1.00 0.00 C ATOM 412 O GLY A 26 -6.185 1.907 -10.248 1.00 0.00 O ATOM 0 H GLY A 26 -8.737 0.686 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.662 3.190 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.798 2.113 -7.480 1.00 0.00 H new ATOM 416 N LYS A 27 -7.431 0.135 -9.640 1.00 0.00 N ATOM 417 CA LYS A 27 -6.982 -0.699 -10.749 1.00 0.00 C ATOM 418 C LYS A 27 -5.480 -0.957 -10.663 1.00 0.00 C ATOM 419 O LYS A 27 -4.763 -0.860 -11.659 1.00 0.00 O ATOM 420 CB LYS A 27 -7.324 -0.038 -12.086 1.00 0.00 C ATOM 421 CG LYS A 27 -7.792 -1.021 -13.148 1.00 0.00 C ATOM 422 CD LYS A 27 -8.726 -0.359 -14.148 1.00 0.00 C ATOM 423 CE LYS A 27 -8.020 -0.073 -15.464 1.00 0.00 C ATOM 424 NZ LYS A 27 -7.991 -1.269 -16.350 1.00 0.00 N ATOM 0 H LYS A 27 -8.098 -0.318 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.501 -1.655 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.102 0.708 -11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.446 0.492 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.928 -1.431 -13.672 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.302 -1.858 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.585 -1.005 -14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.109 0.572 -13.729 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.525 0.746 -15.976 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.000 0.256 -15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.501 -1.033 -17.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.487 -2.043 -15.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.964 -1.568 -16.561 1.00 0.00 H new ATOM 438 N VAL A 28 -5.011 -1.287 -9.463 1.00 0.00 N ATOM 439 CA VAL A 28 -3.595 -1.560 -9.242 1.00 0.00 C ATOM 440 C VAL A 28 -3.085 -2.632 -10.203 1.00 0.00 C ATOM 441 O VAL A 28 -3.850 -3.479 -10.666 1.00 0.00 O ATOM 442 CB VAL A 28 -3.331 -2.012 -7.792 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.103 -3.286 -7.478 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.841 -2.207 -7.552 1.00 0.00 C ATOM 0 H VAL A 28 -5.591 -1.372 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.059 -0.629 -9.426 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.682 -1.229 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.903 -3.589 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.171 -3.104 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.789 -4.079 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.677 -2.526 -6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.459 -2.968 -8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.318 -1.267 -7.728 1.00 0.00 H new ATOM 454 N PHE A 29 -1.791 -2.587 -10.500 1.00 0.00 N ATOM 455 CA PHE A 29 -1.181 -3.552 -11.406 1.00 0.00 C ATOM 456 C PHE A 29 -0.512 -4.683 -10.631 1.00 0.00 C ATOM 457 O PHE A 29 -0.533 -5.837 -11.058 1.00 0.00 O ATOM 458 CB PHE A 29 -0.156 -2.860 -12.307 1.00 0.00 C ATOM 459 CG PHE A 29 -0.772 -1.930 -13.313 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.430 -0.782 -12.902 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.689 -2.202 -14.669 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.997 0.076 -13.826 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.253 -1.347 -15.597 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.909 -0.207 -15.174 1.00 0.00 C ATOM 0 H PHE A 29 -1.144 -1.892 -10.126 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.970 -3.979 -12.025 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.542 -2.299 -11.685 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.424 -3.618 -12.833 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.501 -0.555 -11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.178 -3.092 -15.005 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.508 0.967 -13.493 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.181 -1.570 -16.651 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.352 0.462 -15.897 1.00 0.00 H new ATOM 474 N ASN A 30 0.081 -4.345 -9.491 1.00 0.00 N ATOM 475 CA ASN A 30 0.756 -5.337 -8.662 1.00 0.00 C ATOM 476 C ASN A 30 1.052 -4.782 -7.271 1.00 0.00 C ATOM 477 O ASN A 30 1.425 -3.618 -7.121 1.00 0.00 O ATOM 478 CB ASN A 30 2.057 -5.788 -9.328 1.00 0.00 C ATOM 479 CG ASN A 30 2.482 -7.174 -8.885 1.00 0.00 C ATOM 480 OD1 ASN A 30 3.194 -7.245 -7.765 1.00 0.00 O flip ATOM 481 ND2 ASN A 30 2.175 -8.170 -9.540 1.00 0.00 N flip ATOM 0 H ASN A 30 0.108 -3.395 -9.121 1.00 0.00 H new ATOM 0 HA ASN A 30 0.091 -6.194 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.930 -5.778 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.848 -5.076 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.627 -8.070 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.469 -9.096 -9.228 1.00 0.00 H new ATOM 488 N VAL A 31 0.888 -5.626 -6.259 1.00 0.00 N ATOM 489 CA VAL A 31 1.140 -5.229 -4.878 1.00 0.00 C ATOM 490 C VAL A 31 2.144 -6.169 -4.221 1.00 0.00 C ATOM 491 O VAL A 31 1.903 -7.372 -4.113 1.00 0.00 O ATOM 492 CB VAL A 31 -0.158 -5.220 -4.048 1.00 0.00 C ATOM 493 CG1 VAL A 31 0.090 -4.610 -2.676 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.257 -4.469 -4.783 1.00 0.00 C ATOM 0 H VAL A 31 0.581 -6.592 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 31 1.548 -4.219 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.486 -6.250 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.838 -4.612 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.843 -5.195 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.443 -3.585 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.166 -4.473 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.941 -3.440 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.453 -4.954 -5.739 1.00 0.00 H new ATOM 504 N LYS A 32 3.273 -5.618 -3.786 1.00 0.00 N ATOM 505 CA LYS A 32 4.312 -6.415 -3.145 1.00 0.00 C ATOM 506 C LYS A 32 4.642 -5.879 -1.755 1.00 0.00 C ATOM 507 O LYS A 32 4.310 -4.743 -1.418 1.00 0.00 O ATOM 508 CB LYS A 32 5.575 -6.431 -4.010 1.00 0.00 C ATOM 509 CG LYS A 32 5.354 -7.013 -5.397 1.00 0.00 C ATOM 510 CD LYS A 32 6.076 -6.207 -6.467 1.00 0.00 C ATOM 511 CE LYS A 32 7.134 -7.038 -7.176 1.00 0.00 C ATOM 512 NZ LYS A 32 8.236 -7.435 -6.256 1.00 0.00 N ATOM 0 H LYS A 32 3.491 -4.625 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 32 3.935 -7.432 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.951 -5.413 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.347 -7.009 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.706 -8.044 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.287 -7.035 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.353 -5.839 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.543 -5.334 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.672 -7.931 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.544 -6.469 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.978 -7.927 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.638 -6.586 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.863 -8.070 -5.521 1.00 0.00 H new ATOM 526 N LEU A 33 5.304 -6.711 -0.956 1.00 0.00 N ATOM 527 CA LEU A 33 5.691 -6.333 0.398 1.00 0.00 C ATOM 528 C LEU A 33 7.074 -6.882 0.728 1.00 0.00 C ATOM 529 O LEU A 33 7.556 -7.804 0.071 1.00 0.00 O ATOM 530 CB LEU A 33 4.668 -6.856 1.409 1.00 0.00 C ATOM 531 CG LEU A 33 3.325 -6.120 1.410 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.172 -7.109 1.318 1.00 0.00 C ATOM 533 CD2 LEU A 33 3.190 -5.257 2.656 1.00 0.00 C ATOM 0 H LEU A 33 5.584 -7.654 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 33 5.721 -5.245 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.487 -7.912 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.101 -6.792 2.407 1.00 0.00 H new ATOM 0 HG LEU A 33 3.290 -5.470 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.226 -6.567 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.259 -7.684 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.204 -7.786 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.230 -4.742 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.248 -5.887 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.995 -4.523 2.679 1.00 0.00 H new ATOM 545 N ILE A 34 7.712 -6.314 1.748 1.00 0.00 N ATOM 546 CA ILE A 34 9.039 -6.760 2.150 1.00 0.00 C ATOM 547 C ILE A 34 9.063 -7.174 3.617 1.00 0.00 C ATOM 548 O ILE A 34 8.242 -6.725 4.415 1.00 0.00 O ATOM 549 CB ILE A 34 10.099 -5.669 1.907 1.00 0.00 C ATOM 550 CG1 ILE A 34 9.801 -4.434 2.755 1.00 0.00 C ATOM 551 CG2 ILE A 34 10.154 -5.304 0.430 1.00 0.00 C ATOM 552 CD1 ILE A 34 10.580 -4.396 4.051 1.00 0.00 C ATOM 0 H ILE A 34 7.333 -5.549 2.307 1.00 0.00 H new ATOM 0 HA ILE A 34 9.281 -7.626 1.534 1.00 0.00 H new ATOM 0 HB ILE A 34 11.073 -6.060 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.030 -3.540 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.735 -4.404 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.907 -4.532 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.413 -6.187 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.181 -4.931 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.321 -3.493 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.333 -5.273 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.648 -4.395 3.834 1.00 0.00 H new ATOM 564 N TYR A 35 10.011 -8.040 3.962 1.00 0.00 N ATOM 565 CA TYR A 35 10.149 -8.528 5.328 1.00 0.00 C ATOM 566 C TYR A 35 11.162 -7.693 6.105 1.00 0.00 C ATOM 567 O TYR A 35 11.545 -6.604 5.676 1.00 0.00 O ATOM 568 CB TYR A 35 10.581 -9.999 5.324 1.00 0.00 C ATOM 569 CG TYR A 35 9.936 -10.825 4.231 1.00 0.00 C ATOM 570 CD1 TYR A 35 10.423 -10.792 2.930 1.00 0.00 C ATOM 571 CD2 TYR A 35 8.843 -11.637 4.501 1.00 0.00 C ATOM 572 CE1 TYR A 35 9.837 -11.544 1.929 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.252 -12.393 3.506 1.00 0.00 C ATOM 574 CZ TYR A 35 8.753 -12.343 2.223 1.00 0.00 C ATOM 575 OH TYR A 35 8.167 -13.094 1.230 1.00 0.00 O ATOM 0 H TYR A 35 10.698 -8.419 3.310 1.00 0.00 H new ATOM 0 HA TYR A 35 9.180 -8.440 5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.664 -10.049 5.212 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.339 -10.441 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.273 -10.168 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.448 -11.679 5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.226 -11.506 0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.402 -13.020 3.733 1.00 0.00 H new ATOM 0 HH TYR A 35 7.416 -13.602 1.603 1.00 0.00 H new ATOM 585 N ASP A 36 11.593 -8.211 7.252 1.00 0.00 N ATOM 586 CA ASP A 36 12.562 -7.516 8.092 1.00 0.00 C ATOM 587 C ASP A 36 13.964 -7.570 7.485 1.00 0.00 C ATOM 588 O ASP A 36 14.883 -6.912 7.974 1.00 0.00 O ATOM 589 CB ASP A 36 12.581 -8.128 9.493 1.00 0.00 C ATOM 590 CG ASP A 36 12.744 -7.084 10.580 1.00 0.00 C ATOM 591 OD1 ASP A 36 12.434 -5.902 10.320 1.00 0.00 O ATOM 592 OD2 ASP A 36 13.185 -7.446 11.691 1.00 0.00 O ATOM 0 H ASP A 36 11.286 -9.111 7.621 1.00 0.00 H new ATOM 0 HA ASP A 36 12.258 -6.471 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.655 -8.678 9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.396 -8.848 9.560 1.00 0.00 H new ATOM 597 N ARG A 37 14.127 -8.359 6.425 1.00 0.00 N ATOM 598 CA ARG A 37 15.423 -8.497 5.767 1.00 0.00 C ATOM 599 C ARG A 37 16.426 -9.184 6.688 1.00 0.00 C ATOM 600 O ARG A 37 17.629 -8.940 6.606 1.00 0.00 O ATOM 601 CB ARG A 37 15.956 -7.128 5.341 1.00 0.00 C ATOM 602 CG ARG A 37 16.724 -7.155 4.030 1.00 0.00 C ATOM 603 CD ARG A 37 17.727 -6.015 3.947 1.00 0.00 C ATOM 604 NE ARG A 37 18.133 -5.743 2.570 1.00 0.00 N ATOM 605 CZ ARG A 37 19.227 -5.058 2.242 1.00 0.00 C ATOM 606 NH1 ARG A 37 20.023 -4.574 3.186 1.00 0.00 N ATOM 607 NH2 ARG A 37 19.524 -4.856 0.965 1.00 0.00 N ATOM 0 H ARG A 37 13.379 -8.911 6.005 1.00 0.00 H new ATOM 0 HA ARG A 37 15.287 -9.114 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.120 -6.435 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.606 -6.740 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.245 -8.107 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.025 -7.087 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.290 -5.115 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.606 -6.261 4.542 1.00 0.00 H new ATOM 0 HE ARG A 37 17.545 -6.098 1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.799 -4.726 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.860 -4.050 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.915 -5.225 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.362 -4.331 0.713 1.00 0.00 H new ATOM 621 N GLU A 38 15.918 -10.044 7.566 1.00 0.00 N ATOM 622 CA GLU A 38 16.762 -10.769 8.507 1.00 0.00 C ATOM 623 C GLU A 38 15.992 -11.925 9.139 1.00 0.00 C ATOM 624 O GLU A 38 16.507 -13.037 9.259 1.00 0.00 O ATOM 625 CB GLU A 38 17.279 -9.825 9.595 1.00 0.00 C ATOM 626 CG GLU A 38 18.738 -9.437 9.421 1.00 0.00 C ATOM 627 CD GLU A 38 18.908 -8.038 8.861 1.00 0.00 C ATOM 628 OE1 GLU A 38 18.029 -7.187 9.112 1.00 0.00 O ATOM 629 OE2 GLU A 38 19.919 -7.794 8.170 1.00 0.00 O ATOM 0 H GLU A 38 14.923 -10.255 7.644 1.00 0.00 H new ATOM 0 HA GLU A 38 17.613 -11.176 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.670 -8.921 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.152 -10.301 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.245 -9.503 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.223 -10.152 8.756 1.00 0.00 H new ATOM 636 N THR A 39 14.754 -11.651 9.540 1.00 0.00 N ATOM 637 CA THR A 39 13.908 -12.665 10.159 1.00 0.00 C ATOM 638 C THR A 39 12.958 -13.290 9.138 1.00 0.00 C ATOM 639 O THR A 39 12.347 -14.327 9.401 1.00 0.00 O ATOM 640 CB THR A 39 13.106 -12.055 11.310 1.00 0.00 C ATOM 641 OG1 THR A 39 12.705 -10.733 10.996 1.00 0.00 O ATOM 642 CG2 THR A 39 13.873 -12.006 12.614 1.00 0.00 C ATOM 0 H THR A 39 14.315 -10.735 9.447 1.00 0.00 H new ATOM 0 HA THR A 39 14.556 -13.450 10.549 1.00 0.00 H new ATOM 0 HB THR A 39 12.243 -12.709 11.440 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.192 -10.360 11.743 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.247 -11.562 13.388 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.154 -13.017 12.909 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.772 -11.403 12.485 1.00 0.00 H new ATOM 650 N LYS A 40 12.836 -12.656 7.972 1.00 0.00 N ATOM 651 CA LYS A 40 11.959 -13.153 6.915 1.00 0.00 C ATOM 652 C LYS A 40 10.492 -12.940 7.277 1.00 0.00 C ATOM 653 O LYS A 40 9.615 -13.662 6.804 1.00 0.00 O ATOM 654 CB LYS A 40 12.224 -14.638 6.651 1.00 0.00 C ATOM 655 CG LYS A 40 12.599 -14.944 5.210 1.00 0.00 C ATOM 656 CD LYS A 40 11.386 -15.361 4.395 1.00 0.00 C ATOM 657 CE LYS A 40 11.622 -15.166 2.906 1.00 0.00 C ATOM 658 NZ LYS A 40 11.018 -16.263 2.100 1.00 0.00 N ATOM 0 H LYS A 40 13.334 -11.797 7.737 1.00 0.00 H new ATOM 0 HA LYS A 40 12.175 -12.589 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.027 -14.977 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.334 -15.210 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.058 -14.065 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.344 -15.739 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.155 -16.407 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.519 -14.778 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.200 -14.211 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.693 -15.120 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.201 -16.093 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.439 -17.172 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.992 -16.291 2.266 1.00 0.00 H new ATOM 672 N LYS A 41 10.233 -11.942 8.115 1.00 0.00 N ATOM 673 CA LYS A 41 8.873 -11.631 8.535 1.00 0.00 C ATOM 674 C LYS A 41 8.342 -10.411 7.785 1.00 0.00 C ATOM 675 O LYS A 41 8.950 -9.342 7.821 1.00 0.00 O ATOM 676 CB LYS A 41 8.829 -11.376 10.043 1.00 0.00 C ATOM 677 CG LYS A 41 8.900 -12.644 10.877 1.00 0.00 C ATOM 678 CD LYS A 41 9.014 -12.329 12.360 1.00 0.00 C ATOM 679 CE LYS A 41 7.650 -12.076 12.983 1.00 0.00 C ATOM 680 NZ LYS A 41 7.758 -11.366 14.287 1.00 0.00 N ATOM 0 H LYS A 41 10.948 -11.335 8.516 1.00 0.00 H new ATOM 0 HA LYS A 41 8.239 -12.486 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.658 -10.724 10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.910 -10.842 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.010 -13.248 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.757 -13.240 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.501 -13.158 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.647 -11.453 12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.042 -11.486 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.136 -13.026 13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.807 -11.213 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.317 -11.940 14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.226 -10.448 14.145 1.00 0.00 H new ATOM 694 N PRO A 42 7.196 -10.551 7.090 1.00 0.00 N ATOM 695 CA PRO A 42 6.597 -9.447 6.332 1.00 0.00 C ATOM 696 C PRO A 42 6.062 -8.349 7.244 1.00 0.00 C ATOM 697 O PRO A 42 5.040 -8.526 7.908 1.00 0.00 O ATOM 698 CB PRO A 42 5.452 -10.114 5.567 1.00 0.00 C ATOM 699 CG PRO A 42 5.108 -11.318 6.374 1.00 0.00 C ATOM 700 CD PRO A 42 6.397 -11.787 6.989 1.00 0.00 C ATOM 0 HA PRO A 42 7.323 -8.955 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.597 -9.444 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.757 -10.388 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.374 -11.076 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.669 -12.095 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.234 -12.241 7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.890 -12.535 6.368 1.00 0.00 H new ATOM 708 N LYS A 43 6.756 -7.216 7.274 1.00 0.00 N ATOM 709 CA LYS A 43 6.340 -6.096 8.112 1.00 0.00 C ATOM 710 C LYS A 43 7.243 -4.884 7.905 1.00 0.00 C ATOM 711 O LYS A 43 7.618 -4.207 8.862 1.00 0.00 O ATOM 712 CB LYS A 43 6.347 -6.504 9.588 1.00 0.00 C ATOM 713 CG LYS A 43 7.541 -7.358 9.983 1.00 0.00 C ATOM 714 CD LYS A 43 8.791 -6.516 10.179 1.00 0.00 C ATOM 715 CE LYS A 43 9.655 -7.057 11.307 1.00 0.00 C ATOM 716 NZ LYS A 43 10.387 -5.971 12.015 1.00 0.00 N ATOM 0 H LYS A 43 7.604 -7.049 6.732 1.00 0.00 H new ATOM 0 HA LYS A 43 5.327 -5.821 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.336 -5.605 10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.431 -7.053 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.316 -7.896 10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.724 -8.108 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.368 -6.498 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.507 -5.487 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.029 -7.596 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.370 -7.774 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.911 -6.372 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.054 -5.517 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.708 -5.264 12.363 1.00 0.00 H new ATOM 730 N GLY A 44 7.586 -4.612 6.652 1.00 0.00 N ATOM 731 CA GLY A 44 8.439 -3.479 6.351 1.00 0.00 C ATOM 732 C GLY A 44 7.899 -2.627 5.219 1.00 0.00 C ATOM 733 O GLY A 44 8.652 -2.183 4.352 1.00 0.00 O ATOM 0 H GLY A 44 7.289 -5.155 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.548 -2.864 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.434 -3.838 6.088 1.00 0.00 H new ATOM 737 N PHE A 45 6.589 -2.395 5.230 1.00 0.00 N ATOM 738 CA PHE A 45 5.938 -1.588 4.204 1.00 0.00 C ATOM 739 C PHE A 45 5.836 -2.353 2.889 1.00 0.00 C ATOM 740 O PHE A 45 6.543 -3.337 2.675 1.00 0.00 O ATOM 741 CB PHE A 45 6.698 -0.275 3.984 1.00 0.00 C ATOM 742 CG PHE A 45 7.304 0.301 5.235 1.00 0.00 C ATOM 743 CD1 PHE A 45 6.639 0.219 6.448 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.539 0.927 5.195 1.00 0.00 C ATOM 745 CE1 PHE A 45 7.195 0.748 7.597 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.101 1.458 6.341 1.00 0.00 C ATOM 747 CZ PHE A 45 8.427 1.368 7.543 1.00 0.00 C ATOM 0 H PHE A 45 5.955 -2.757 5.943 1.00 0.00 H new ATOM 0 HA PHE A 45 4.931 -1.360 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.490 -0.444 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.017 0.458 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.674 -0.264 6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.069 1.001 4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.666 0.676 8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.065 1.942 6.296 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.863 1.782 8.440 1.00 0.00 H new ATOM 757 N GLY A 46 4.947 -1.894 2.012 1.00 0.00 N ATOM 758 CA GLY A 46 4.766 -2.547 0.729 1.00 0.00 C ATOM 759 C GLY A 46 4.837 -1.575 -0.435 1.00 0.00 C ATOM 760 O GLY A 46 5.144 -0.397 -0.251 1.00 0.00 O ATOM 0 H GLY A 46 4.350 -1.082 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.531 -3.314 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.801 -3.054 0.716 1.00 0.00 H new ATOM 764 N PHE A 47 4.555 -2.073 -1.635 1.00 0.00 N ATOM 765 CA PHE A 47 4.591 -1.246 -2.835 1.00 0.00 C ATOM 766 C PHE A 47 3.293 -1.377 -3.626 1.00 0.00 C ATOM 767 O PHE A 47 2.556 -2.351 -3.470 1.00 0.00 O ATOM 768 CB PHE A 47 5.779 -1.640 -3.713 1.00 0.00 C ATOM 769 CG PHE A 47 6.006 -0.711 -4.871 1.00 0.00 C ATOM 770 CD1 PHE A 47 5.329 -0.895 -6.066 1.00 0.00 C ATOM 771 CD2 PHE A 47 6.896 0.345 -4.765 1.00 0.00 C ATOM 772 CE1 PHE A 47 5.537 -0.043 -7.134 1.00 0.00 C ATOM 773 CE2 PHE A 47 7.108 1.200 -5.829 1.00 0.00 C ATOM 774 CZ PHE A 47 6.428 1.006 -7.015 1.00 0.00 C ATOM 0 H PHE A 47 4.299 -3.046 -1.802 1.00 0.00 H new ATOM 0 HA PHE A 47 4.703 -0.206 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.679 -1.669 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.620 -2.649 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.631 -1.713 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.430 0.502 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.004 -0.197 -8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.805 2.019 -5.733 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.592 1.673 -7.848 1.00 0.00 H new ATOM 784 N VAL A 48 3.021 -0.392 -4.476 1.00 0.00 N ATOM 785 CA VAL A 48 1.814 -0.398 -5.294 1.00 0.00 C ATOM 786 C VAL A 48 2.078 0.216 -6.665 1.00 0.00 C ATOM 787 O VAL A 48 2.598 1.328 -6.769 1.00 0.00 O ATOM 788 CB VAL A 48 0.666 0.370 -4.611 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.623 0.228 -5.405 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.474 -0.118 -3.182 1.00 0.00 C ATOM 0 H VAL A 48 3.621 0.421 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 48 1.519 -1.440 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 48 0.931 1.427 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.421 0.778 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.479 0.630 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.895 -0.825 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.341 0.435 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.233 -1.181 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.392 0.042 -2.617 1.00 0.00 H new ATOM 800 N GLU A 49 1.716 -0.515 -7.714 1.00 0.00 N ATOM 801 CA GLU A 49 1.914 -0.042 -9.080 1.00 0.00 C ATOM 802 C GLU A 49 0.593 0.401 -9.700 1.00 0.00 C ATOM 803 O GLU A 49 -0.299 -0.415 -9.936 1.00 0.00 O ATOM 804 CB GLU A 49 2.548 -1.142 -9.934 1.00 0.00 C ATOM 805 CG GLU A 49 3.211 -0.623 -11.199 1.00 0.00 C ATOM 806 CD GLU A 49 4.701 -0.398 -11.025 1.00 0.00 C ATOM 807 OE1 GLU A 49 5.335 -1.174 -10.281 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.231 0.555 -11.633 1.00 0.00 O ATOM 0 H GLU A 49 1.284 -1.437 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 49 2.584 0.817 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.289 -1.673 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.781 -1.867 -10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.047 -1.334 -12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.738 0.313 -11.495 1.00 0.00 H new ATOM 815 N MET A 50 0.474 1.698 -9.963 1.00 0.00 N ATOM 816 CA MET A 50 -0.737 2.251 -10.556 1.00 0.00 C ATOM 817 C MET A 50 -0.399 3.355 -11.553 1.00 0.00 C ATOM 818 O MET A 50 0.585 4.076 -11.386 1.00 0.00 O ATOM 819 CB MET A 50 -1.660 2.800 -9.466 1.00 0.00 C ATOM 820 CG MET A 50 -2.656 1.777 -8.943 1.00 0.00 C ATOM 821 SD MET A 50 -3.886 2.507 -7.844 1.00 0.00 S ATOM 822 CE MET A 50 -2.890 2.836 -6.392 1.00 0.00 C ATOM 0 H MET A 50 1.203 2.386 -9.774 1.00 0.00 H new ATOM 0 HA MET A 50 -1.250 1.449 -11.087 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.054 3.162 -8.636 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.205 3.657 -9.860 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.161 1.304 -9.785 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.119 0.991 -8.411 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.194 2.171 -5.584 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.839 2.667 -6.626 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.030 3.871 -6.082 1.00 0.00 H new ATOM 832 N GLN A 51 -1.220 3.482 -12.590 1.00 0.00 N ATOM 833 CA GLN A 51 -1.007 4.499 -13.614 1.00 0.00 C ATOM 834 C GLN A 51 -1.028 5.898 -13.004 1.00 0.00 C ATOM 835 O GLN A 51 -1.621 6.115 -11.947 1.00 0.00 O ATOM 836 CB GLN A 51 -2.074 4.388 -14.705 1.00 0.00 C ATOM 837 CG GLN A 51 -1.542 4.648 -16.105 1.00 0.00 C ATOM 838 CD GLN A 51 -1.359 3.373 -16.905 1.00 0.00 C ATOM 839 OE1 GLN A 51 -2.148 3.068 -17.798 1.00 0.00 O ATOM 840 NE2 GLN A 51 -0.312 2.621 -16.588 1.00 0.00 N ATOM 0 H GLN A 51 -2.039 2.894 -12.744 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.026 4.331 -14.059 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.513 3.391 -14.672 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.875 5.097 -14.492 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.229 5.309 -16.634 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.587 5.169 -16.036 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.317 2.912 -15.840 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.137 1.752 -17.093 1.00 0.00 H new ATOM 849 N GLU A 52 -0.379 6.842 -13.677 1.00 0.00 N ATOM 850 CA GLU A 52 -0.324 8.218 -13.200 1.00 0.00 C ATOM 851 C GLU A 52 -1.636 8.942 -13.476 1.00 0.00 C ATOM 852 O GLU A 52 -1.850 9.475 -14.565 1.00 0.00 O ATOM 853 CB GLU A 52 0.835 8.967 -13.861 1.00 0.00 C ATOM 854 CG GLU A 52 0.825 8.885 -15.379 1.00 0.00 C ATOM 855 CD GLU A 52 1.132 10.215 -16.037 1.00 0.00 C ATOM 856 OE1 GLU A 52 0.389 11.187 -15.788 1.00 0.00 O ATOM 857 OE2 GLU A 52 2.118 10.287 -16.802 1.00 0.00 O ATOM 0 H GLU A 52 0.116 6.679 -14.554 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.162 8.195 -12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.798 10.014 -13.562 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.777 8.563 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.557 8.146 -15.704 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.152 8.535 -15.714 1.00 0.00 H new ATOM 864 N GLU A 53 -2.510 8.956 -12.477 1.00 0.00 N ATOM 865 CA GLU A 53 -3.805 9.612 -12.595 1.00 0.00 C ATOM 866 C GLU A 53 -4.553 9.544 -11.271 1.00 0.00 C ATOM 867 O GLU A 53 -5.056 10.552 -10.774 1.00 0.00 O ATOM 868 CB GLU A 53 -4.636 8.957 -13.701 1.00 0.00 C ATOM 869 CG GLU A 53 -4.715 7.444 -13.587 1.00 0.00 C ATOM 870 CD GLU A 53 -5.301 6.795 -14.826 1.00 0.00 C ATOM 871 OE1 GLU A 53 -6.049 7.479 -15.556 1.00 0.00 O ATOM 872 OE2 GLU A 53 -5.010 5.605 -15.067 1.00 0.00 O ATOM 0 H GLU A 53 -2.343 8.518 -11.571 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.640 10.658 -12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.645 9.368 -13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.208 9.218 -14.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.717 7.044 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.322 7.180 -12.721 1.00 0.00 H new ATOM 879 N SER A 54 -4.616 8.345 -10.703 1.00 0.00 N ATOM 880 CA SER A 54 -5.292 8.134 -9.430 1.00 0.00 C ATOM 881 C SER A 54 -4.325 8.318 -8.262 1.00 0.00 C ATOM 882 O SER A 54 -4.745 8.573 -7.135 1.00 0.00 O ATOM 883 CB SER A 54 -5.910 6.736 -9.381 1.00 0.00 C ATOM 884 OG SER A 54 -7.145 6.699 -10.074 1.00 0.00 O ATOM 0 H SER A 54 -4.206 7.503 -11.106 1.00 0.00 H new ATOM 0 HA SER A 54 -6.085 8.877 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.221 6.015 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.063 6.439 -8.343 1.00 0.00 H new ATOM 0 HG SER A 54 -7.518 5.794 -10.029 1.00 0.00 H new ATOM 890 N VAL A 55 -3.029 8.183 -8.538 1.00 0.00 N ATOM 891 CA VAL A 55 -2.009 8.333 -7.505 1.00 0.00 C ATOM 892 C VAL A 55 -2.044 9.728 -6.887 1.00 0.00 C ATOM 893 O VAL A 55 -1.729 9.904 -5.710 1.00 0.00 O ATOM 894 CB VAL A 55 -0.599 8.070 -8.065 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.425 8.033 -6.942 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.574 6.775 -8.863 1.00 0.00 C ATOM 0 H VAL A 55 -2.662 7.971 -9.466 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.233 7.594 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.337 8.888 -8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.415 7.846 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.426 8.989 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.169 7.237 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.431 6.606 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.858 5.944 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.276 6.846 -9.694 1.00 0.00 H new ATOM 906 N SER A 56 -2.422 10.716 -7.690 1.00 0.00 N ATOM 907 CA SER A 56 -2.490 12.097 -7.223 1.00 0.00 C ATOM 908 C SER A 56 -3.488 12.245 -6.078 1.00 0.00 C ATOM 909 O SER A 56 -3.151 12.758 -5.011 1.00 0.00 O ATOM 910 CB SER A 56 -2.878 13.025 -8.376 1.00 0.00 C ATOM 911 OG SER A 56 -2.165 12.700 -9.556 1.00 0.00 O ATOM 0 H SER A 56 -2.686 10.587 -8.667 1.00 0.00 H new ATOM 0 HA SER A 56 -1.503 12.375 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.949 12.949 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.675 14.059 -8.098 1.00 0.00 H new ATOM 0 HG SER A 56 -2.433 13.307 -10.278 1.00 0.00 H new ATOM 917 N GLU A 57 -4.717 11.796 -6.309 1.00 0.00 N ATOM 918 CA GLU A 57 -5.765 11.885 -5.297 1.00 0.00 C ATOM 919 C GLU A 57 -5.721 10.691 -4.347 1.00 0.00 C ATOM 920 O GLU A 57 -6.210 10.766 -3.220 1.00 0.00 O ATOM 921 CB GLU A 57 -7.139 11.964 -5.966 1.00 0.00 C ATOM 922 CG GLU A 57 -8.118 12.873 -5.240 1.00 0.00 C ATOM 923 CD GLU A 57 -9.508 12.276 -5.145 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.806 11.339 -5.916 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.301 12.745 -4.302 1.00 0.00 O ATOM 0 H GLU A 57 -5.012 11.367 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.592 12.791 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.016 12.320 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.563 10.962 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.744 13.075 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.172 13.830 -5.759 1.00 0.00 H new ATOM 932 N ALA A 58 -5.135 9.590 -4.809 1.00 0.00 N ATOM 933 CA ALA A 58 -5.034 8.381 -3.999 1.00 0.00 C ATOM 934 C ALA A 58 -4.351 8.660 -2.664 1.00 0.00 C ATOM 935 O ALA A 58 -4.770 8.154 -1.629 1.00 0.00 O ATOM 936 CB ALA A 58 -4.280 7.299 -4.758 1.00 0.00 C ATOM 0 H ALA A 58 -4.723 9.511 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.046 8.033 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.212 6.402 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.810 7.065 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.277 7.653 -4.995 1.00 0.00 H new ATOM 942 N ILE A 59 -3.298 9.465 -2.697 1.00 0.00 N ATOM 943 CA ILE A 59 -2.554 9.812 -1.490 1.00 0.00 C ATOM 944 C ILE A 59 -3.118 11.071 -0.833 1.00 0.00 C ATOM 945 O ILE A 59 -2.895 11.320 0.350 1.00 0.00 O ATOM 946 CB ILE A 59 -1.057 10.028 -1.808 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.424 8.726 -2.306 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.311 10.549 -0.586 1.00 0.00 C ATOM 949 CD1 ILE A 59 -0.175 8.707 -3.799 1.00 0.00 C ATOM 0 H ILE A 59 -2.937 9.893 -3.550 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.657 8.977 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.981 10.777 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.521 8.569 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.075 7.892 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.740 10.693 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.743 11.500 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.396 9.828 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.275 7.755 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.120 8.832 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.500 9.520 -4.066 1.00 0.00 H new ATOM 961 N ALA A 60 -3.833 11.868 -1.617 1.00 0.00 N ATOM 962 CA ALA A 60 -4.414 13.111 -1.126 1.00 0.00 C ATOM 963 C ALA A 60 -5.447 12.880 -0.026 1.00 0.00 C ATOM 964 O ALA A 60 -5.349 13.456 1.058 1.00 0.00 O ATOM 965 CB ALA A 60 -5.049 13.871 -2.280 1.00 0.00 C ATOM 0 H ALA A 60 -4.025 11.674 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.605 13.697 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.482 14.800 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.289 14.098 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.831 13.260 -2.731 1.00 0.00 H new ATOM 971 N LYS A 61 -6.450 12.062 -0.319 1.00 0.00 N ATOM 972 CA LYS A 61 -7.517 11.788 0.640 1.00 0.00 C ATOM 973 C LYS A 61 -7.209 10.584 1.526 1.00 0.00 C ATOM 974 O LYS A 61 -7.881 10.367 2.534 1.00 0.00 O ATOM 975 CB LYS A 61 -8.840 11.566 -0.097 1.00 0.00 C ATOM 976 CG LYS A 61 -9.724 12.801 -0.147 1.00 0.00 C ATOM 977 CD LYS A 61 -8.993 13.988 -0.754 1.00 0.00 C ATOM 978 CE LYS A 61 -9.845 14.696 -1.795 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.018 15.271 -2.892 1.00 0.00 N ATOM 0 H LYS A 61 -6.549 11.577 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.596 12.659 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.629 11.240 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.386 10.758 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.618 12.586 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.055 13.053 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.721 14.691 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.064 13.649 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.565 13.993 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.417 15.491 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.184 16.296 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.012 15.094 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.279 14.825 -3.794 1.00 0.00 H new ATOM 993 N LEU A 62 -6.216 9.790 1.145 1.00 0.00 N ATOM 994 CA LEU A 62 -5.870 8.603 1.919 1.00 0.00 C ATOM 995 C LEU A 62 -4.826 8.905 2.990 1.00 0.00 C ATOM 996 O LEU A 62 -5.145 8.974 4.178 1.00 0.00 O ATOM 997 CB LEU A 62 -5.365 7.505 0.989 1.00 0.00 C ATOM 998 CG LEU A 62 -6.421 6.925 0.045 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.846 5.760 -0.749 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.651 6.486 0.826 1.00 0.00 C ATOM 0 H LEU A 62 -5.642 9.943 0.316 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.773 8.265 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.544 7.903 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.956 6.696 1.594 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.720 7.703 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.611 5.360 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.997 6.105 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.518 4.979 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.391 6.076 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.368 5.723 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.076 7.344 1.348 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.576 9.068 2.570 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.485 9.342 3.501 1.00 0.00 C ATOM 1014 C ASP A 63 -2.777 10.575 4.355 1.00 0.00 C ATOM 1015 O ASP A 63 -3.476 11.493 3.927 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.163 9.504 2.733 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.668 10.940 2.673 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.464 11.829 2.304 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.517 11.173 2.993 1.00 0.00 O ATOM 0 H ASP A 63 -3.292 9.015 1.592 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.393 8.493 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.400 8.885 3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.294 9.131 1.717 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.229 10.584 5.569 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.418 11.696 6.494 1.00 0.00 C ATOM 1026 C ASN A 64 -1.782 11.387 7.847 1.00 0.00 C ATOM 1027 O ASN A 64 -1.227 12.270 8.499 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.908 12.001 6.673 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.235 13.459 6.417 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.663 14.161 7.460 1.00 0.00 O flip ATOM 1031 ND2 ASN A 64 -4.103 13.948 5.296 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.648 9.829 5.934 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.929 12.573 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.488 11.377 5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.211 11.736 7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.771 13.371 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.326 14.931 5.139 1.00 0.00 H new ATOM 1038 N THR A 65 -1.866 10.126 8.260 1.00 0.00 N ATOM 1039 CA THR A 65 -1.299 9.697 9.534 1.00 0.00 C ATOM 1040 C THR A 65 -1.142 8.180 9.574 1.00 0.00 C ATOM 1041 O THR A 65 -1.369 7.496 8.576 1.00 0.00 O ATOM 1042 CB THR A 65 -2.183 10.162 10.693 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.497 10.441 10.242 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.661 11.405 11.381 1.00 0.00 C ATOM 0 H THR A 65 -2.322 9.383 7.730 1.00 0.00 H new ATOM 0 HA THR A 65 -0.313 10.150 9.636 1.00 0.00 H new ATOM 0 HB THR A 65 -2.178 9.340 11.408 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.047 10.735 10.998 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.334 11.681 12.193 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.668 11.208 11.784 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.605 12.222 10.662 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.752 7.660 10.733 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.565 6.223 10.902 1.00 0.00 C ATOM 1054 C ASP A 66 -1.718 5.612 11.692 1.00 0.00 C ATOM 1055 O ASP A 66 -1.726 5.644 12.923 1.00 0.00 O ATOM 1056 CB ASP A 66 0.760 5.940 11.611 1.00 0.00 C ATOM 1057 CG ASP A 66 1.889 5.667 10.636 1.00 0.00 C ATOM 1058 OD1 ASP A 66 2.238 6.579 9.859 1.00 0.00 O ATOM 1059 OD2 ASP A 66 2.426 4.538 10.651 1.00 0.00 O ATOM 0 H ASP A 66 -0.559 8.212 11.569 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.545 5.767 9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.023 6.792 12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.639 5.082 12.273 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.690 5.057 10.976 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.849 4.437 11.610 1.00 0.00 C ATOM 1066 C PHE A 67 -3.973 2.972 11.201 1.00 0.00 C ATOM 1067 O PHE A 67 -3.289 2.512 10.287 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.125 5.194 11.236 1.00 0.00 C ATOM 1069 CG PHE A 67 -6.047 5.426 12.398 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.917 6.559 13.187 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -7.043 4.512 12.704 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.765 6.776 14.257 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -7.893 4.724 13.773 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.754 5.857 14.550 1.00 0.00 C ATOM 0 H PHE A 67 -2.699 5.024 9.957 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.711 4.483 12.690 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.853 6.156 10.801 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.657 4.635 10.466 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.145 7.280 12.963 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.156 3.624 12.100 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.654 7.663 14.863 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.665 4.004 14.000 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.417 6.024 15.386 1.00 0.00 H new ATOM 1084 N MET A 68 -4.851 2.245 11.884 1.00 0.00 N ATOM 1085 CA MET A 68 -5.065 0.833 11.591 1.00 0.00 C ATOM 1086 C MET A 68 -5.987 0.659 10.387 1.00 0.00 C ATOM 1087 O MET A 68 -7.097 0.140 10.510 1.00 0.00 O ATOM 1088 CB MET A 68 -5.654 0.121 12.811 1.00 0.00 C ATOM 1089 CG MET A 68 -4.904 0.407 14.103 1.00 0.00 C ATOM 1090 SD MET A 68 -3.208 -0.204 14.072 1.00 0.00 S ATOM 1091 CE MET A 68 -3.372 -1.706 15.033 1.00 0.00 C ATOM 0 H MET A 68 -5.425 2.610 12.644 1.00 0.00 H new ATOM 0 HA MET A 68 -4.100 0.387 11.351 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.695 0.423 12.930 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.653 -0.954 12.630 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.895 1.482 14.283 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.436 -0.052 14.936 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.403 -2.200 15.104 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.729 -1.461 16.033 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.084 -2.373 14.547 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.519 1.099 9.223 1.00 0.00 N ATOM 1102 CA GLY A 69 -6.313 0.984 8.014 1.00 0.00 C ATOM 1103 C GLY A 69 -7.320 2.108 7.869 1.00 0.00 C ATOM 1104 O GLY A 69 -8.395 1.917 7.300 1.00 0.00 O ATOM 0 H GLY A 69 -4.605 1.533 9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.651 0.980 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.838 0.029 8.018 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.974 3.281 8.388 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.855 4.440 8.313 1.00 0.00 C ATOM 1110 C ARG A 70 -7.285 5.503 7.379 1.00 0.00 C ATOM 1111 O ARG A 70 -8.030 6.254 6.750 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.069 5.035 9.708 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.367 5.813 9.845 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.140 7.310 9.701 1.00 0.00 C ATOM 1115 NE ARG A 70 -9.155 7.993 10.992 1.00 0.00 N ATOM 1116 CZ ARG A 70 -8.645 9.206 11.196 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -8.081 9.872 10.196 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -8.701 9.754 12.401 1.00 0.00 N ATOM 0 H ARG A 70 -6.089 3.454 8.865 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.813 4.108 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.058 4.230 10.443 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.234 5.694 9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.075 5.477 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.816 5.604 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.183 7.486 9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.912 7.733 9.058 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.581 7.512 11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.037 9.455 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.692 10.801 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.135 9.247 13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.310 10.683 12.557 1.00 0.00 H new ATOM 1132 N THR A 71 -5.959 5.560 7.293 1.00 0.00 N ATOM 1133 CA THR A 71 -5.291 6.531 6.435 1.00 0.00 C ATOM 1134 C THR A 71 -3.927 6.016 5.988 1.00 0.00 C ATOM 1135 O THR A 71 -3.611 6.017 4.799 1.00 0.00 O ATOM 1136 CB THR A 71 -5.131 7.866 7.166 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.239 8.716 6.468 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.611 7.718 8.580 1.00 0.00 C ATOM 0 H THR A 71 -5.327 4.946 7.807 1.00 0.00 H new ATOM 0 HA THR A 71 -5.910 6.681 5.550 1.00 0.00 H new ATOM 0 HB THR A 71 -6.133 8.293 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.712 9.150 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.522 8.702 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.303 7.108 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.633 7.237 8.560 1.00 0.00 H new ATOM 1146 N ILE A 72 -3.121 5.576 6.950 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.791 5.057 6.654 1.00 0.00 C ATOM 1148 C ILE A 72 -0.893 6.148 6.079 1.00 0.00 C ATOM 1149 O ILE A 72 -1.377 7.171 5.597 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.855 3.882 5.658 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.933 2.882 6.082 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.501 3.197 5.556 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -3.290 1.885 5.001 1.00 0.00 C ATOM 0 H ILE A 72 -3.366 5.569 7.940 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.372 4.702 7.596 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.116 4.274 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.590 2.342 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.830 3.428 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.564 2.370 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.244 3.914 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.211 2.816 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.060 1.207 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.664 2.416 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.404 1.312 4.727 1.00 0.00 H new ATOM 1165 N ARG A 73 0.416 5.926 6.134 1.00 0.00 N ATOM 1166 CA ARG A 73 1.378 6.894 5.617 1.00 0.00 C ATOM 1167 C ARG A 73 1.729 6.590 4.163 1.00 0.00 C ATOM 1168 O ARG A 73 2.903 6.550 3.791 1.00 0.00 O ATOM 1169 CB ARG A 73 2.646 6.890 6.475 1.00 0.00 C ATOM 1170 CG ARG A 73 3.197 8.279 6.752 1.00 0.00 C ATOM 1171 CD ARG A 73 4.710 8.323 6.607 1.00 0.00 C ATOM 1172 NE ARG A 73 5.385 8.356 7.902 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.648 7.274 8.632 1.00 0.00 C ATOM 1174 NH1 ARG A 73 5.293 6.070 8.200 1.00 0.00 N ATOM 1175 NH2 ARG A 73 6.267 7.396 9.798 1.00 0.00 N ATOM 0 H ARG A 73 0.835 5.085 6.531 1.00 0.00 H new ATOM 0 HA ARG A 73 0.922 7.883 5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.431 6.397 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.412 6.298 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.745 8.994 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.919 8.586 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.046 7.451 6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.993 9.202 6.029 1.00 0.00 H new ATOM 0 HE ARG A 73 5.672 9.263 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.816 5.970 7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.497 5.245 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.542 8.319 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.469 6.567 10.358 1.00 0.00 H new ATOM 1189 N VAL A 74 0.704 6.378 3.344 1.00 0.00 N ATOM 1190 CA VAL A 74 0.903 6.079 1.932 1.00 0.00 C ATOM 1191 C VAL A 74 1.365 7.316 1.166 1.00 0.00 C ATOM 1192 O VAL A 74 0.627 8.292 1.043 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.388 5.537 1.286 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.499 6.575 1.348 1.00 0.00 C ATOM 1195 CG2 VAL A 74 -0.130 5.109 -0.152 1.00 0.00 C ATOM 0 H VAL A 74 -0.273 6.408 3.635 1.00 0.00 H new ATOM 0 HA VAL A 74 1.677 5.313 1.876 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.710 4.662 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.400 6.171 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.705 6.826 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.189 7.473 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.053 4.730 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.220 5.965 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.628 4.326 -0.168 1.00 0.00 H new ATOM 1205 N THR A 75 2.589 7.267 0.653 1.00 0.00 N ATOM 1206 CA THR A 75 3.146 8.384 -0.101 1.00 0.00 C ATOM 1207 C THR A 75 3.841 7.897 -1.368 1.00 0.00 C ATOM 1208 O THR A 75 4.305 6.759 -1.435 1.00 0.00 O ATOM 1209 CB THR A 75 4.130 9.171 0.764 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.643 10.284 0.054 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.307 8.346 1.235 1.00 0.00 C ATOM 0 H THR A 75 3.214 6.466 0.745 1.00 0.00 H new ATOM 0 HA THR A 75 2.323 9.038 -0.390 1.00 0.00 H new ATOM 0 HB THR A 75 3.557 9.488 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.269 10.776 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.965 8.966 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.948 7.506 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.857 7.971 0.372 1.00 0.00 H new ATOM 1219 N GLU A 76 3.907 8.766 -2.371 1.00 0.00 N ATOM 1220 CA GLU A 76 4.545 8.428 -3.639 1.00 0.00 C ATOM 1221 C GLU A 76 5.993 8.000 -3.423 1.00 0.00 C ATOM 1222 O GLU A 76 6.752 8.673 -2.726 1.00 0.00 O ATOM 1223 CB GLU A 76 4.491 9.619 -4.594 1.00 0.00 C ATOM 1224 CG GLU A 76 3.154 9.774 -5.302 1.00 0.00 C ATOM 1225 CD GLU A 76 3.287 10.434 -6.661 1.00 0.00 C ATOM 1226 OE1 GLU A 76 4.000 9.879 -7.523 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.677 11.504 -6.862 1.00 0.00 O ATOM 0 H GLU A 76 3.526 9.711 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 76 4.000 7.593 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.705 10.531 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.277 9.511 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.695 8.793 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.483 10.366 -4.679 1.00 0.00 H new ATOM 1234 N ALA A 77 6.371 6.878 -4.026 1.00 0.00 N ATOM 1235 CA ALA A 77 7.729 6.363 -3.901 1.00 0.00 C ATOM 1236 C ALA A 77 8.623 6.899 -5.013 1.00 0.00 C ATOM 1237 O ALA A 77 8.080 7.379 -6.030 1.00 0.00 O ATOM 1238 CB ALA A 77 7.718 4.842 -3.916 1.00 0.00 C ATOM 0 H ALA A 77 5.756 6.308 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 77 8.136 6.703 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.738 4.470 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.119 4.474 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.289 4.490 -4.854 1.00 0.00 H new TER 1244 ALA A 77