USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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: B 114 TYR OH : rot -4:sc= 0.861 USER MOD Set 1.2: B 123 ASN : amide:sc= -1.23! C(o=-0.37!,f=-8.6!) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.742 K(o=2,f=-0.79) USER MOD Set 2.2: B 113 SER OG : rot 150:sc= 1.23 USER MOD Set 3.1: A 15 GLN : amide:sc= -1.53! C(o=-0.9!,f=-17!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 133:sc= 0.627 (180deg=0) USER MOD Set 4.1: A 14 TYR OH : rot 176:sc= -0.346 USER MOD Set 4.2: A 23 ASN : amide:sc= -0.376 K(o=-0.72,f=-8.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.4!) USER MOD Single : A 6 THR OG1 : rot -117:sc= -2.85! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 72:sc= 1.07 USER MOD Single : A 20 TYR OH : rot -94:sc= -0.578 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 29 SER OG : rot -53:sc= 0.978 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -70:sc= -3.44! USER MOD Single : A 32 MET CE :methyl -128:sc= -18.9! (180deg=-23.1!) USER MOD Single : A 34 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.95) USER MOD Single : B 102 LYS NZ :NH3+ 164:sc= -0.0102 (180deg=-0.335) USER MOD Single : B 103 GLN : amide:sc= -0.794 K(o=-0.79,f=-2.3!) USER MOD Single : B 106 THR OG1 : rot -140:sc= -1.65 USER MOD Single : B 108 THR OG1 : rot 46:sc= 0.702 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.7!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 180:sc= -0.138 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -122:sc= 0.0778 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot 84:sc= -0.33 USER MOD Single : B 132 MET CE :methyl -112:sc= -14.5! (180deg=-18.3!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.645 -13.457 -18.323 1.00 0.00 N ATOM 21 CA LYS A 2 -13.466 -12.855 -16.988 1.00 0.00 C ATOM 22 C LYS A 2 -12.188 -13.361 -16.320 1.00 0.00 C ATOM 23 O LYS A 2 -12.036 -14.562 -16.091 1.00 0.00 O ATOM 24 CB LYS A 2 -14.675 -13.155 -16.096 1.00 0.00 C ATOM 25 CG LYS A 2 -15.969 -12.519 -16.587 1.00 0.00 C ATOM 26 CD LYS A 2 -17.179 -13.053 -15.832 1.00 0.00 C ATOM 27 CE LYS A 2 -17.989 -14.037 -16.667 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.348 -13.507 -16.998 1.00 0.00 N ATOM 0 HA LYS A 2 -13.380 -11.776 -17.120 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.811 -14.235 -16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.467 -12.802 -15.086 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.912 -11.437 -16.465 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.089 -12.714 -17.653 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.847 -13.543 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.816 -12.220 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.452 -14.258 -17.589 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.089 -14.977 -16.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.865 -14.208 -17.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.871 -13.320 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.254 -12.624 -17.539 1.00 0.00 H new ATOM 42 N GLN A 3 -11.270 -12.445 -16.024 1.00 0.00 N ATOM 43 CA GLN A 3 -10.002 -12.812 -15.405 1.00 0.00 C ATOM 44 C GLN A 3 -10.008 -12.554 -13.916 1.00 0.00 C ATOM 45 O GLN A 3 -10.168 -11.423 -13.467 1.00 0.00 O ATOM 46 CB GLN A 3 -8.839 -12.061 -16.074 1.00 0.00 C ATOM 47 CG GLN A 3 -7.503 -12.257 -15.372 1.00 0.00 C ATOM 48 CD GLN A 3 -6.315 -11.873 -16.232 1.00 0.00 C ATOM 49 OE1 GLN A 3 -6.435 -11.093 -17.175 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.152 -12.409 -15.904 1.00 0.00 N ATOM 0 H GLN A 3 -11.381 -11.447 -16.202 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.864 -13.883 -15.553 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.749 -12.394 -17.108 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.073 -10.997 -16.102 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.489 -11.663 -14.458 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.406 -13.301 -15.075 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.091 -13.052 -15.115 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.315 -12.179 -16.440 1.00 0.00 H new ATOM 59 N ARG A 4 -9.833 -13.621 -13.150 1.00 0.00 N ATOM 60 CA ARG A 4 -9.842 -13.509 -11.709 1.00 0.00 C ATOM 61 C ARG A 4 -8.525 -12.961 -11.182 1.00 0.00 C ATOM 62 O ARG A 4 -7.526 -13.674 -11.070 1.00 0.00 O ATOM 63 CB ARG A 4 -10.126 -14.862 -11.068 1.00 0.00 C ATOM 64 CG ARG A 4 -11.064 -14.772 -9.882 1.00 0.00 C ATOM 65 CD ARG A 4 -11.532 -16.150 -9.451 1.00 0.00 C ATOM 66 NE ARG A 4 -12.982 -16.203 -9.249 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.887 -16.305 -10.215 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.525 -16.386 -11.481 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.165 -16.322 -9.905 1.00 0.00 N ATOM 0 H ARG A 4 -9.684 -14.566 -13.504 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.635 -12.810 -11.443 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.557 -15.528 -11.815 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.186 -15.310 -10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.559 -14.280 -9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.925 -14.156 -10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.245 -16.882 -10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.027 -16.431 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.324 -16.158 -8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.536 -16.371 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -14.234 -16.464 -12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.454 -16.257 -8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.867 -16.400 -10.641 1.00 0.00 H new ATOM 83 N ILE A 5 -8.559 -11.687 -10.822 1.00 0.00 N ATOM 84 CA ILE A 5 -7.410 -11.004 -10.254 1.00 0.00 C ATOM 85 C ILE A 5 -7.694 -10.780 -8.787 1.00 0.00 C ATOM 86 O ILE A 5 -8.733 -10.218 -8.430 1.00 0.00 O ATOM 87 CB ILE A 5 -7.126 -9.660 -10.957 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.967 -8.534 -10.356 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.414 -9.793 -12.444 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.507 -7.150 -10.749 1.00 0.00 C ATOM 0 H ILE A 5 -9.386 -11.098 -10.916 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.520 -11.618 -10.393 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.076 -9.408 -10.810 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.004 -8.663 -10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.946 -8.618 -9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.213 -8.843 -12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.776 -10.567 -12.870 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.460 -10.064 -12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.153 -6.406 -10.283 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.480 -6.999 -10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.555 -7.045 -11.833 1.00 0.00 H new ATOM 102 N THR A 6 -6.833 -11.275 -7.928 1.00 0.00 N ATOM 103 CA THR A 6 -7.090 -11.150 -6.509 1.00 0.00 C ATOM 104 C THR A 6 -5.884 -10.650 -5.714 1.00 0.00 C ATOM 105 O THR A 6 -4.819 -11.268 -5.729 1.00 0.00 O ATOM 106 CB THR A 6 -7.616 -12.494 -5.970 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.020 -12.824 -4.731 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.391 -13.660 -6.911 1.00 0.00 C ATOM 0 H THR A 6 -5.969 -11.757 -8.176 1.00 0.00 H new ATOM 0 HA THR A 6 -7.851 -10.381 -6.375 1.00 0.00 H new ATOM 0 HB THR A 6 -8.689 -12.340 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.503 -13.651 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.788 -14.571 -6.463 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.900 -13.469 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.323 -13.780 -7.093 1.00 0.00 H new ATOM 116 N VAL A 7 -6.091 -9.572 -4.946 1.00 0.00 N ATOM 117 CA VAL A 7 -5.060 -9.039 -4.054 1.00 0.00 C ATOM 118 C VAL A 7 -5.386 -9.520 -2.650 1.00 0.00 C ATOM 119 O VAL A 7 -6.383 -9.091 -2.069 1.00 0.00 O ATOM 120 CB VAL A 7 -4.968 -7.474 -4.079 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.314 -6.839 -4.396 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.419 -6.900 -2.759 1.00 0.00 C ATOM 0 H VAL A 7 -6.968 -9.052 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.088 -9.398 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.266 -7.225 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.211 -5.754 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.655 -7.179 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.041 -7.129 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.374 -5.813 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.075 -7.186 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.419 -7.294 -2.579 1.00 0.00 H new ATOM 132 N THR A 8 -4.591 -10.427 -2.102 1.00 0.00 N ATOM 133 CA THR A 8 -4.868 -10.935 -0.771 1.00 0.00 C ATOM 134 C THR A 8 -4.605 -9.859 0.276 1.00 0.00 C ATOM 135 O THR A 8 -3.518 -9.770 0.843 1.00 0.00 O ATOM 136 CB THR A 8 -4.057 -12.194 -0.492 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.742 -12.079 -1.000 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.682 -13.436 -1.085 1.00 0.00 C ATOM 0 H THR A 8 -3.763 -10.820 -2.551 1.00 0.00 H new ATOM 0 HA THR A 8 -5.923 -11.205 -0.716 1.00 0.00 H new ATOM 0 HB THR A 8 -4.038 -12.294 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.243 -12.900 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.061 -14.301 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.676 -13.580 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.760 -13.323 -2.166 1.00 0.00 H new ATOM 146 N VAL A 9 -5.623 -9.036 0.506 1.00 0.00 N ATOM 147 CA VAL A 9 -5.547 -7.939 1.466 1.00 0.00 C ATOM 148 C VAL A 9 -5.698 -8.452 2.903 1.00 0.00 C ATOM 149 O VAL A 9 -5.207 -9.538 3.212 1.00 0.00 O ATOM 150 CB VAL A 9 -6.620 -6.880 1.162 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.452 -6.342 -0.250 1.00 0.00 C ATOM 152 CG2 VAL A 9 -8.002 -7.474 1.344 1.00 0.00 C ATOM 0 H VAL A 9 -6.524 -9.110 0.033 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.564 -7.478 1.371 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.501 -6.051 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.220 -5.594 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.467 -5.887 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.549 -7.159 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.755 -6.717 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.128 -8.317 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.118 -7.816 2.372 1.00 0.00 H new ATOM 162 N ASP A 10 -6.329 -7.651 3.788 1.00 0.00 N ATOM 163 CA ASP A 10 -6.493 -7.998 5.212 1.00 0.00 C ATOM 164 C ASP A 10 -5.316 -7.420 6.010 1.00 0.00 C ATOM 165 O ASP A 10 -5.311 -7.408 7.242 1.00 0.00 O ATOM 166 CB ASP A 10 -6.622 -9.515 5.398 1.00 0.00 C ATOM 167 CG ASP A 10 -6.839 -9.945 6.837 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.637 -9.296 7.544 1.00 0.00 O ATOM 169 OD2 ASP A 10 -6.212 -10.947 7.250 1.00 0.00 O ATOM 0 H ASP A 10 -6.736 -6.751 3.535 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.417 -7.559 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.454 -9.875 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.720 -9.995 5.018 1.00 0.00 H new ATOM 174 N SER A 11 -4.339 -6.893 5.268 1.00 0.00 N ATOM 175 CA SER A 11 -3.162 -6.251 5.836 1.00 0.00 C ATOM 176 C SER A 11 -2.954 -4.901 5.156 1.00 0.00 C ATOM 177 O SER A 11 -2.932 -3.866 5.817 1.00 0.00 O ATOM 178 CB SER A 11 -1.922 -7.133 5.656 1.00 0.00 C ATOM 179 OG SER A 11 -0.747 -6.489 6.131 1.00 0.00 O ATOM 0 H SER A 11 -4.347 -6.902 4.248 1.00 0.00 H new ATOM 0 HA SER A 11 -3.316 -6.103 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.063 -8.073 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.801 -7.380 4.601 1.00 0.00 H new ATOM 0 HG SER A 11 0.024 -7.080 6.003 1.00 0.00 H new ATOM 185 N ASP A 12 -2.769 -4.939 3.829 1.00 0.00 N ATOM 186 CA ASP A 12 -2.522 -3.746 3.020 1.00 0.00 C ATOM 187 C ASP A 12 -3.459 -2.568 3.385 1.00 0.00 C ATOM 188 O ASP A 12 -3.141 -1.795 4.295 1.00 0.00 O ATOM 189 CB ASP A 12 -2.613 -4.123 1.535 1.00 0.00 C ATOM 190 CG ASP A 12 -2.006 -5.485 1.233 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.557 -6.501 1.713 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.980 -5.532 0.527 1.00 0.00 O ATOM 0 H ASP A 12 -2.787 -5.804 3.288 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.517 -3.383 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.659 -4.121 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.104 -3.364 0.941 1.00 0.00 H new ATOM 197 N SER A 13 -4.598 -2.398 2.684 1.00 0.00 N ATOM 198 CA SER A 13 -5.531 -1.286 2.982 1.00 0.00 C ATOM 199 C SER A 13 -6.759 -1.311 2.047 1.00 0.00 C ATOM 200 O SER A 13 -7.255 -0.270 1.613 1.00 0.00 O ATOM 201 CB SER A 13 -4.813 0.062 2.865 1.00 0.00 C ATOM 202 OG SER A 13 -4.171 0.404 4.083 1.00 0.00 O ATOM 0 H SER A 13 -4.893 -3.004 1.919 1.00 0.00 H new ATOM 0 HA SER A 13 -5.882 -1.417 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.077 0.018 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.530 0.838 2.598 1.00 0.00 H new ATOM 0 HG SER A 13 -3.386 -0.169 4.211 1.00 0.00 H new ATOM 208 N TYR A 14 -7.230 -2.523 1.756 1.00 0.00 N ATOM 209 CA TYR A 14 -8.392 -2.767 0.881 1.00 0.00 C ATOM 210 C TYR A 14 -9.739 -2.635 1.598 1.00 0.00 C ATOM 211 O TYR A 14 -10.698 -2.104 1.036 1.00 0.00 O ATOM 212 CB TYR A 14 -8.282 -4.175 0.329 1.00 0.00 C ATOM 213 CG TYR A 14 -9.592 -4.914 0.307 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.025 -5.626 1.411 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.383 -4.893 -0.815 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.213 -6.308 1.398 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.581 -5.571 -0.851 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.995 -6.285 0.265 1.00 0.00 C ATOM 219 OH TYR A 14 -13.187 -6.966 0.252 1.00 0.00 O ATOM 0 H TYR A 14 -6.814 -3.379 2.123 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.371 -2.008 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.882 -4.130 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.567 -4.737 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.414 -5.645 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.061 -4.336 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.534 -6.859 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.193 -5.547 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.650 -6.798 -0.595 1.00 0.00 H new ATOM 229 N GLN A 15 -9.828 -3.210 2.801 1.00 0.00 N ATOM 230 CA GLN A 15 -11.090 -3.251 3.542 1.00 0.00 C ATOM 231 C GLN A 15 -11.794 -1.893 3.617 1.00 0.00 C ATOM 232 O GLN A 15 -13.010 -1.843 3.530 1.00 0.00 O ATOM 233 CB GLN A 15 -10.863 -3.826 4.946 1.00 0.00 C ATOM 234 CG GLN A 15 -10.764 -5.352 4.977 1.00 0.00 C ATOM 235 CD GLN A 15 -11.703 -5.996 5.987 1.00 0.00 C ATOM 236 OE1 GLN A 15 -12.874 -5.628 6.092 1.00 0.00 O ATOM 237 NE2 GLN A 15 -11.204 -6.969 6.731 1.00 0.00 N ATOM 0 H GLN A 15 -9.043 -3.652 3.280 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.759 -3.907 2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.947 -3.403 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.680 -3.511 5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.986 -5.744 3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.739 -5.638 5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.230 -7.249 6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.794 -7.440 7.418 1.00 0.00 H new ATOM 246 N LEU A 16 -11.059 -0.805 3.784 1.00 0.00 N ATOM 247 CA LEU A 16 -11.690 0.517 3.865 1.00 0.00 C ATOM 248 C LEU A 16 -12.609 0.802 2.661 1.00 0.00 C ATOM 249 O LEU A 16 -13.790 1.096 2.833 1.00 0.00 O ATOM 250 CB LEU A 16 -10.617 1.606 3.942 1.00 0.00 C ATOM 251 CG LEU A 16 -10.016 1.846 5.325 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.514 2.058 5.225 1.00 0.00 C ATOM 253 CD2 LEU A 16 -10.677 3.045 5.983 1.00 0.00 C ATOM 0 H LEU A 16 -10.042 -0.802 3.866 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.303 0.522 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.811 1.345 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.049 2.542 3.586 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.198 0.965 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.103 2.228 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.050 1.174 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.310 2.924 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.240 3.206 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.520 3.931 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.746 2.860 6.086 1.00 0.00 H new ATOM 265 N LEU A 17 -12.043 0.730 1.453 1.00 0.00 N ATOM 266 CA LEU A 17 -12.836 1.030 0.240 1.00 0.00 C ATOM 267 C LEU A 17 -14.112 0.194 0.156 1.00 0.00 C ATOM 268 O LEU A 17 -15.188 0.697 -0.178 1.00 0.00 O ATOM 269 CB LEU A 17 -12.042 0.881 -1.041 1.00 0.00 C ATOM 270 CG LEU A 17 -11.778 2.204 -1.782 1.00 0.00 C ATOM 271 CD1 LEU A 17 -11.536 1.959 -3.259 1.00 0.00 C ATOM 272 CD2 LEU A 17 -12.944 3.169 -1.610 1.00 0.00 C ATOM 0 H LEU A 17 -11.070 0.476 1.282 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.114 2.079 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.086 0.411 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.576 0.205 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.884 2.650 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.352 2.909 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.669 1.310 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.413 1.482 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.731 4.095 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.851 2.719 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.085 3.384 -0.551 1.00 0.00 H new ATOM 284 N LYS A 18 -13.976 -1.070 0.476 1.00 0.00 N ATOM 285 CA LYS A 18 -15.101 -2.013 0.458 1.00 0.00 C ATOM 286 C LYS A 18 -15.960 -1.876 1.708 1.00 0.00 C ATOM 287 O LYS A 18 -17.165 -2.127 1.681 1.00 0.00 O ATOM 288 CB LYS A 18 -14.600 -3.444 0.312 1.00 0.00 C ATOM 289 CG LYS A 18 -13.648 -3.824 1.413 1.00 0.00 C ATOM 290 CD LYS A 18 -14.209 -4.938 2.282 1.00 0.00 C ATOM 291 CE LYS A 18 -14.028 -4.622 3.750 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.810 -5.537 4.626 1.00 0.00 N ATOM 0 H LYS A 18 -13.089 -1.487 0.758 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.722 -1.771 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.449 -4.127 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.103 -3.558 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.700 -4.143 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.439 -2.951 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.268 -5.076 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.709 -5.877 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.971 -4.692 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.334 -3.593 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.204 -5.880 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.623 -5.025 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.150 -6.346 4.067 1.00 0.00 H new ATOM 306 N ALA A 19 -15.326 -1.450 2.792 1.00 0.00 N ATOM 307 CA ALA A 19 -16.009 -1.233 4.068 1.00 0.00 C ATOM 308 C ALA A 19 -17.161 -0.255 3.871 1.00 0.00 C ATOM 309 O ALA A 19 -18.143 -0.271 4.613 1.00 0.00 O ATOM 310 CB ALA A 19 -15.036 -0.708 5.116 1.00 0.00 C ATOM 0 H ALA A 19 -14.327 -1.245 2.816 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.406 -2.184 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.564 -0.553 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.235 -1.432 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.612 0.238 4.778 1.00 0.00 H new ATOM 316 N TYR A 20 -17.030 0.572 2.837 1.00 0.00 N ATOM 317 CA TYR A 20 -18.043 1.540 2.484 1.00 0.00 C ATOM 318 C TYR A 20 -19.047 0.881 1.545 1.00 0.00 C ATOM 319 O TYR A 20 -20.251 0.963 1.784 1.00 0.00 O ATOM 320 CB TYR A 20 -17.403 2.765 1.809 1.00 0.00 C ATOM 321 CG TYR A 20 -16.076 3.179 2.411 1.00 0.00 C ATOM 322 CD1 TYR A 20 -15.918 3.302 3.786 1.00 0.00 C ATOM 323 CD2 TYR A 20 -14.976 3.442 1.600 1.00 0.00 C ATOM 324 CE1 TYR A 20 -14.705 3.676 4.334 1.00 0.00 C ATOM 325 CE2 TYR A 20 -13.767 3.812 2.140 1.00 0.00 C ATOM 326 CZ TYR A 20 -13.633 3.927 3.506 1.00 0.00 C ATOM 327 OH TYR A 20 -12.434 4.314 4.045 1.00 0.00 O ATOM 0 H TYR A 20 -16.214 0.583 2.225 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.553 1.880 3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.258 2.549 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.096 3.604 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.756 3.102 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.074 3.354 0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.599 3.771 5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.924 4.012 1.495 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.375 5.292 4.043 1.00 0.00 H new ATOM 337 N ASP A 21 -18.520 0.210 0.498 1.00 0.00 N ATOM 338 CA ASP A 21 -19.338 -0.514 -0.506 1.00 0.00 C ATOM 339 C ASP A 21 -18.717 -0.382 -1.900 1.00 0.00 C ATOM 340 O ASP A 21 -19.422 -0.241 -2.903 1.00 0.00 O ATOM 341 CB ASP A 21 -20.790 0.000 -0.547 1.00 0.00 C ATOM 342 CG ASP A 21 -21.765 -0.885 0.218 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.448 -2.073 0.450 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.853 -0.390 0.574 1.00 0.00 O ATOM 0 H ASP A 21 -17.517 0.153 0.323 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.355 -1.562 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.823 1.008 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.113 0.072 -1.585 1.00 0.00 H new ATOM 349 N VAL A 22 -17.390 -0.403 -1.948 1.00 0.00 N ATOM 350 CA VAL A 22 -16.650 -0.255 -3.191 1.00 0.00 C ATOM 351 C VAL A 22 -15.366 -1.045 -3.143 1.00 0.00 C ATOM 352 O VAL A 22 -14.293 -0.478 -2.944 1.00 0.00 O ATOM 353 CB VAL A 22 -16.300 1.231 -3.434 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.798 1.447 -4.849 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.481 2.142 -3.136 1.00 0.00 C ATOM 0 H VAL A 22 -16.799 -0.523 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.280 -0.627 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.499 1.493 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.559 2.501 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.904 0.846 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.570 1.150 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.196 3.178 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.318 1.876 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.777 2.025 -2.093 1.00 0.00 H new ATOM 365 N ASN A 23 -15.478 -2.357 -3.330 1.00 0.00 N ATOM 366 CA ASN A 23 -14.308 -3.215 -3.333 1.00 0.00 C ATOM 367 C ASN A 23 -13.376 -2.725 -4.447 1.00 0.00 C ATOM 368 O ASN A 23 -12.726 -1.691 -4.314 1.00 0.00 O ATOM 369 CB ASN A 23 -14.720 -4.687 -3.540 1.00 0.00 C ATOM 370 CG ASN A 23 -15.168 -5.370 -2.258 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.370 -6.006 -1.574 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.446 -5.254 -1.929 1.00 0.00 N ATOM 0 H ASN A 23 -16.363 -2.842 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.789 -3.167 -2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -15.529 -4.732 -4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.879 -5.237 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.797 -5.701 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -17.079 -4.717 -2.522 1.00 0.00 H new ATOM 379 N ILE A 24 -13.311 -3.437 -5.550 1.00 0.00 N ATOM 380 CA ILE A 24 -12.452 -2.988 -6.633 1.00 0.00 C ATOM 381 C ILE A 24 -12.962 -3.330 -8.015 1.00 0.00 C ATOM 382 O ILE A 24 -12.233 -3.145 -8.992 1.00 0.00 O ATOM 383 CB ILE A 24 -11.013 -3.501 -6.504 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.877 -4.478 -5.358 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.063 -2.338 -6.308 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.791 -5.658 -5.508 1.00 0.00 C ATOM 0 H ILE A 24 -13.823 -4.302 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.465 -1.903 -6.528 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.759 -4.025 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.845 -4.825 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.096 -3.968 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.043 -2.712 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.128 -1.667 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.333 -1.797 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.658 -6.332 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.825 -5.315 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.555 -6.186 -6.432 1.00 0.00 H new ATOM 398 N SER A 25 -14.181 -3.853 -8.107 1.00 0.00 N ATOM 399 CA SER A 25 -14.706 -4.238 -9.419 1.00 0.00 C ATOM 400 C SER A 25 -14.342 -3.160 -10.448 1.00 0.00 C ATOM 401 O SER A 25 -13.549 -3.392 -11.373 1.00 0.00 O ATOM 402 CB SER A 25 -16.224 -4.432 -9.388 1.00 0.00 C ATOM 403 OG SER A 25 -16.874 -3.300 -8.833 1.00 0.00 O ATOM 0 H SER A 25 -14.808 -4.017 -7.320 1.00 0.00 H new ATOM 0 HA SER A 25 -14.256 -5.191 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.592 -4.607 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.468 -5.318 -8.803 1.00 0.00 H new ATOM 0 HG SER A 25 -17.843 -3.449 -8.827 1.00 0.00 H new ATOM 409 N GLY A 26 -14.892 -1.963 -10.244 1.00 0.00 N ATOM 410 CA GLY A 26 -14.599 -0.844 -11.120 1.00 0.00 C ATOM 411 C GLY A 26 -13.381 -0.064 -10.658 1.00 0.00 C ATOM 412 O GLY A 26 -12.640 0.477 -11.487 1.00 0.00 O ATOM 0 H GLY A 26 -15.538 -1.750 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.432 -1.210 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.462 -0.179 -11.160 1.00 0.00 H new ATOM 416 N LEU A 27 -13.152 -0.037 -9.335 1.00 0.00 N ATOM 417 CA LEU A 27 -12.011 0.648 -8.755 1.00 0.00 C ATOM 418 C LEU A 27 -10.731 0.194 -9.426 1.00 0.00 C ATOM 419 O LEU A 27 -10.039 0.989 -10.054 1.00 0.00 O ATOM 420 CB LEU A 27 -11.932 0.350 -7.253 1.00 0.00 C ATOM 421 CG LEU A 27 -11.273 1.423 -6.392 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.075 0.841 -5.665 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.860 2.611 -7.236 1.00 0.00 C ATOM 0 H LEU A 27 -13.756 -0.491 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.134 1.720 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.943 0.185 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.386 -0.583 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.996 1.770 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.610 1.614 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.400 0.019 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.352 0.471 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.392 3.363 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.151 2.287 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.739 3.038 -7.718 1.00 0.00 H new ATOM 435 N VAL A 28 -10.433 -1.101 -9.313 1.00 0.00 N ATOM 436 CA VAL A 28 -9.247 -1.653 -9.940 1.00 0.00 C ATOM 437 C VAL A 28 -9.208 -1.251 -11.418 1.00 0.00 C ATOM 438 O VAL A 28 -8.271 -0.594 -11.856 1.00 0.00 O ATOM 439 CB VAL A 28 -9.200 -3.192 -9.771 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.479 -3.872 -10.924 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.541 -3.545 -8.446 1.00 0.00 C ATOM 0 H VAL A 28 -10.996 -1.777 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.363 -1.246 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.226 -3.560 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.471 -4.950 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.995 -3.649 -11.858 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.454 -3.505 -10.979 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.511 -4.629 -8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.525 -3.149 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.114 -3.110 -7.627 1.00 0.00 H new ATOM 451 N SER A 29 -10.242 -1.624 -12.173 1.00 0.00 N ATOM 452 CA SER A 29 -10.325 -1.296 -13.602 1.00 0.00 C ATOM 453 C SER A 29 -10.038 0.182 -13.902 1.00 0.00 C ATOM 454 O SER A 29 -9.332 0.488 -14.862 1.00 0.00 O ATOM 455 CB SER A 29 -11.719 -1.644 -14.116 1.00 0.00 C ATOM 456 OG SER A 29 -12.651 -0.598 -13.869 1.00 0.00 O ATOM 0 H SER A 29 -11.038 -2.155 -11.820 1.00 0.00 H new ATOM 0 HA SER A 29 -9.557 -1.882 -14.107 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.672 -1.843 -15.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.065 -2.560 -13.636 1.00 0.00 H new ATOM 0 HG SER A 29 -12.628 -0.357 -12.919 1.00 0.00 H new ATOM 462 N THR A 30 -10.570 1.094 -13.093 1.00 0.00 N ATOM 463 CA THR A 30 -10.338 2.519 -13.313 1.00 0.00 C ATOM 464 C THR A 30 -8.973 2.917 -12.783 1.00 0.00 C ATOM 465 O THR A 30 -8.215 3.631 -13.445 1.00 0.00 O ATOM 466 CB THR A 30 -11.442 3.358 -12.655 1.00 0.00 C ATOM 467 OG1 THR A 30 -11.716 4.511 -13.430 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.120 3.826 -11.247 1.00 0.00 C ATOM 0 H THR A 30 -11.158 0.876 -12.288 1.00 0.00 H new ATOM 0 HA THR A 30 -10.363 2.712 -14.386 1.00 0.00 H new ATOM 0 HB THR A 30 -12.300 2.688 -12.598 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.423 5.035 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.954 4.411 -10.859 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.954 2.961 -10.605 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.221 4.442 -11.265 1.00 0.00 H new ATOM 476 N THR A 31 -8.667 2.442 -11.583 1.00 0.00 N ATOM 477 CA THR A 31 -7.396 2.731 -10.941 1.00 0.00 C ATOM 478 C THR A 31 -6.231 2.239 -11.798 1.00 0.00 C ATOM 479 O THR A 31 -5.240 2.952 -11.982 1.00 0.00 O ATOM 480 CB THR A 31 -7.336 2.094 -9.548 1.00 0.00 C ATOM 481 OG1 THR A 31 -8.089 2.852 -8.620 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.934 1.978 -8.998 1.00 0.00 C ATOM 0 H THR A 31 -9.289 1.850 -11.032 1.00 0.00 H new ATOM 0 HA THR A 31 -7.312 3.812 -10.832 1.00 0.00 H new ATOM 0 HB THR A 31 -7.745 1.092 -9.675 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.634 3.703 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.968 1.519 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.332 1.361 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.490 2.970 -8.922 1.00 0.00 H new ATOM 490 N MET A 32 -6.359 1.021 -12.322 1.00 0.00 N ATOM 491 CA MET A 32 -5.324 0.423 -13.164 1.00 0.00 C ATOM 492 C MET A 32 -4.909 1.365 -14.292 1.00 0.00 C ATOM 493 O MET A 32 -3.724 1.588 -14.512 1.00 0.00 O ATOM 494 CB MET A 32 -5.817 -0.898 -13.759 1.00 0.00 C ATOM 495 CG MET A 32 -6.258 -1.915 -12.721 1.00 0.00 C ATOM 496 SD MET A 32 -5.373 -3.467 -12.852 1.00 0.00 S ATOM 497 CE MET A 32 -5.417 -4.006 -11.162 1.00 0.00 C ATOM 0 H MET A 32 -7.175 0.426 -12.177 1.00 0.00 H new ATOM 0 HA MET A 32 -4.456 0.237 -12.532 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.651 -0.694 -14.430 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.021 -1.332 -14.363 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.108 -1.499 -11.725 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.326 -2.101 -12.831 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.408 -4.252 -10.832 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.819 -3.209 -10.536 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.052 -4.888 -11.078 1.00 0.00 H new ATOM 507 N GLN A 33 -5.886 1.920 -14.999 1.00 0.00 N ATOM 508 CA GLN A 33 -5.604 2.837 -16.102 1.00 0.00 C ATOM 509 C GLN A 33 -4.854 4.079 -15.615 1.00 0.00 C ATOM 510 O GLN A 33 -3.957 4.575 -16.302 1.00 0.00 O ATOM 511 CB GLN A 33 -6.895 3.238 -16.813 1.00 0.00 C ATOM 512 CG GLN A 33 -7.764 2.050 -17.213 1.00 0.00 C ATOM 513 CD GLN A 33 -9.127 2.457 -17.738 1.00 0.00 C ATOM 514 OE1 GLN A 33 -9.570 1.974 -18.778 1.00 0.00 O ATOM 515 NE2 GLN A 33 -9.804 3.343 -17.021 1.00 0.00 N ATOM 0 H GLN A 33 -6.878 1.753 -14.831 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.963 2.315 -16.812 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.470 3.895 -16.161 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.646 3.812 -17.705 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.246 1.470 -17.977 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.894 1.397 -16.350 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.401 3.720 -16.163 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.728 3.648 -17.327 1.00 0.00 H new ATOM 524 N ASN A 34 -5.203 4.566 -14.424 1.00 0.00 N ATOM 525 CA ASN A 34 -4.533 5.737 -13.855 1.00 0.00 C ATOM 526 C ASN A 34 -3.095 5.386 -13.482 1.00 0.00 C ATOM 527 O ASN A 34 -2.155 6.066 -13.907 1.00 0.00 O ATOM 528 CB ASN A 34 -5.330 6.284 -12.653 1.00 0.00 C ATOM 529 CG ASN A 34 -4.602 6.174 -11.325 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.659 6.908 -11.058 1.00 0.00 O ATOM 531 ND2 ASN A 34 -5.046 5.261 -10.481 1.00 0.00 N ATOM 0 H ASN A 34 -5.939 4.172 -13.838 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.495 6.530 -14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.572 7.331 -12.837 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.275 5.746 -12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.601 5.149 -9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.835 4.668 -10.740 1.00 0.00 H new ATOM 538 N GLU A 35 -2.917 4.300 -12.727 1.00 0.00 N ATOM 539 CA GLU A 35 -1.578 3.865 -12.359 1.00 0.00 C ATOM 540 C GLU A 35 -0.823 3.425 -13.606 1.00 0.00 C ATOM 541 O GLU A 35 0.373 3.651 -13.717 1.00 0.00 O ATOM 542 CB GLU A 35 -1.613 2.739 -11.330 1.00 0.00 C ATOM 543 CG GLU A 35 -0.229 2.345 -10.810 1.00 0.00 C ATOM 544 CD GLU A 35 0.644 3.533 -10.438 1.00 0.00 C ATOM 545 OE1 GLU A 35 0.118 4.529 -9.894 1.00 0.00 O ATOM 546 OE2 GLU A 35 1.864 3.468 -10.689 1.00 0.00 O ATOM 0 H GLU A 35 -3.672 3.717 -12.366 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.061 4.707 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.235 3.045 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.088 1.865 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.348 1.704 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.281 1.755 -11.571 1.00 0.00 H new ATOM 553 N ALA A 36 -1.545 2.831 -14.566 1.00 0.00 N ATOM 554 CA ALA A 36 -0.953 2.405 -15.829 1.00 0.00 C ATOM 555 C ALA A 36 -0.419 3.619 -16.573 1.00 0.00 C ATOM 556 O ALA A 36 0.703 3.621 -17.064 1.00 0.00 O ATOM 557 CB ALA A 36 -1.980 1.677 -16.676 1.00 0.00 C ATOM 0 H ALA A 36 -2.543 2.637 -14.486 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.131 1.719 -15.625 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.522 1.366 -17.615 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.339 0.799 -16.138 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.818 2.342 -16.884 1.00 0.00 H new ATOM 563 N ARG A 37 -1.220 4.677 -16.614 1.00 0.00 N ATOM 564 CA ARG A 37 -0.792 5.911 -17.248 1.00 0.00 C ATOM 565 C ARG A 37 0.411 6.447 -16.507 1.00 0.00 C ATOM 566 O ARG A 37 1.429 6.812 -17.091 1.00 0.00 O ATOM 567 CB ARG A 37 -1.880 6.967 -17.169 1.00 0.00 C ATOM 568 CG ARG A 37 -2.512 7.308 -18.504 1.00 0.00 C ATOM 569 CD ARG A 37 -1.465 7.672 -19.546 1.00 0.00 C ATOM 570 NE ARG A 37 -1.869 7.254 -20.892 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.088 7.316 -21.963 1.00 0.00 C ATOM 572 NH1 ARG A 37 0.155 7.753 -21.863 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.551 6.933 -23.136 1.00 0.00 N ATOM 0 H ARG A 37 -2.160 4.703 -16.219 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.562 5.697 -18.292 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.658 6.621 -16.489 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.459 7.875 -16.736 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.097 6.459 -18.857 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.204 8.141 -18.377 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.299 8.749 -19.534 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.516 7.201 -19.288 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.814 6.891 -21.013 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.521 8.046 -20.957 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.748 7.797 -22.692 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.508 6.590 -23.219 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.952 6.980 -23.961 1.00 0.00 H new ATOM 587 N ARG A 38 0.231 6.518 -15.197 1.00 0.00 N ATOM 588 CA ARG A 38 1.234 7.041 -14.290 1.00 0.00 C ATOM 589 C ARG A 38 2.567 6.250 -14.313 1.00 0.00 C ATOM 590 O ARG A 38 3.623 6.844 -14.527 1.00 0.00 O ATOM 591 CB ARG A 38 0.656 7.056 -12.871 1.00 0.00 C ATOM 592 CG ARG A 38 1.058 8.263 -12.038 1.00 0.00 C ATOM 593 CD ARG A 38 0.984 7.943 -10.552 1.00 0.00 C ATOM 594 NE ARG A 38 1.650 6.674 -10.250 1.00 0.00 N ATOM 595 CZ ARG A 38 2.964 6.520 -10.185 1.00 0.00 C ATOM 596 NH1 ARG A 38 3.761 7.563 -10.276 1.00 0.00 N ATOM 597 NH2 ARG A 38 3.479 5.319 -10.044 1.00 0.00 N ATOM 0 H ARG A 38 -0.624 6.211 -14.732 1.00 0.00 H new ATOM 0 HA ARG A 38 1.479 8.049 -14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.432 7.021 -12.935 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.974 6.151 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.071 8.569 -12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.402 9.103 -12.267 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.450 8.746 -9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.059 7.893 -10.240 1.00 0.00 H new ATOM 0 HE ARG A 38 1.065 5.857 -10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.368 8.496 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.772 7.438 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.867 4.505 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.491 5.201 -9.994 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.271 -13.121 5.809 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.257 -12.507 4.480 1.00 0.00 C ATOM 1186 C LYS B 102 -6.628 -12.593 3.821 1.00 0.00 C ATOM 1187 O LYS B 102 -7.281 -13.640 3.838 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.188 -13.136 3.582 1.00 0.00 C ATOM 1189 CG LYS B 102 -3.016 -12.211 3.311 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.346 -11.769 4.606 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.978 -10.294 4.573 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.608 -10.056 5.115 1.00 0.00 N ATOM 0 HA LYS B 102 -5.006 -11.455 4.612 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.821 -14.050 4.050 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.642 -13.424 2.634 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.288 -12.719 2.678 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.361 -11.336 2.761 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -3.015 -11.959 5.445 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -1.448 -12.364 4.773 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.033 -9.928 3.548 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.703 -9.725 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -0.284 -9.108 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.629 -10.123 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 0.045 -10.771 4.735 1.00 0.00 H new ATOM 1206 N GLN B 103 -7.059 -11.480 3.241 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.350 -11.417 2.580 1.00 0.00 C ATOM 1208 C GLN B 103 -8.185 -11.424 1.075 1.00 0.00 C ATOM 1209 O GLN B 103 -7.747 -10.446 0.473 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.129 -10.175 3.038 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.418 -9.932 2.266 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.479 -9.244 3.102 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.201 -8.280 3.811 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.706 -9.732 3.023 1.00 0.00 N ATOM 0 H GLN B 103 -6.530 -10.608 3.217 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.921 -12.302 2.860 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.366 -10.278 4.097 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.487 -9.299 2.938 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.202 -9.323 1.388 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.806 -10.885 1.906 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.898 -10.534 2.423 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.460 -9.306 3.562 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.536 -12.542 0.472 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.415 -12.685 -0.962 1.00 0.00 C ATOM 1225 C ARG B 104 -9.564 -11.984 -1.662 1.00 0.00 C ATOM 1226 O ARG B 104 -10.670 -12.517 -1.763 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.390 -14.160 -1.344 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.720 -14.436 -2.678 1.00 0.00 C ATOM 1229 CD ARG B 104 -7.630 -15.928 -2.953 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.346 -16.487 -2.519 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.062 -16.839 -1.273 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.984 -16.783 -0.333 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.854 -17.279 -0.975 1.00 0.00 N ATOM 0 H ARG B 104 -8.906 -13.362 0.953 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.480 -12.223 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -7.871 -14.719 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.413 -14.534 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.281 -13.950 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.720 -14.002 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.442 -16.442 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -7.763 -16.109 -4.020 1.00 0.00 H new ATOM 0 HE ARG B 104 -5.621 -16.614 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.926 -16.467 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.755 -17.056 0.623 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.142 -17.347 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.632 -17.551 -0.017 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.276 -10.799 -2.181 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.265 -10.040 -2.916 1.00 0.00 C ATOM 1249 C ILE B 105 -9.963 -10.179 -4.387 1.00 0.00 C ATOM 1250 O ILE B 105 -8.892 -9.795 -4.856 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.310 -8.550 -2.511 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.033 -7.810 -2.936 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -10.520 -8.442 -1.014 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.180 -6.305 -2.978 1.00 0.00 C ATOM 0 H ILE B 105 -8.365 -10.347 -2.104 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.250 -10.441 -2.679 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.143 -8.075 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.229 -8.067 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -8.732 -8.163 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -10.552 -7.391 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -11.461 -8.921 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.698 -8.936 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.236 -5.856 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.960 -6.035 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -9.450 -5.938 -1.988 1.00 0.00 H new ATOM 1266 N THR B 106 -10.879 -10.776 -5.109 1.00 0.00 N ATOM 1267 CA THR B 106 -10.662 -10.998 -6.517 1.00 0.00 C ATOM 1268 C THR B 106 -11.669 -10.222 -7.360 1.00 0.00 C ATOM 1269 O THR B 106 -12.872 -10.479 -7.306 1.00 0.00 O ATOM 1270 CB THR B 106 -10.662 -12.516 -6.828 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.615 -12.855 -7.817 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.928 -13.400 -5.618 1.00 0.00 C ATOM 0 H THR B 106 -11.772 -11.114 -4.750 1.00 0.00 H new ATOM 0 HA THR B 106 -9.679 -10.614 -6.788 1.00 0.00 H new ATOM 0 HB THR B 106 -9.649 -12.706 -7.182 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.049 -13.700 -7.577 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.911 -14.447 -5.921 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.159 -13.228 -4.865 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.905 -13.159 -5.199 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.150 -9.318 -8.199 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.977 -8.556 -9.133 1.00 0.00 C ATOM 1282 C VAL B 107 -11.822 -9.227 -10.485 1.00 0.00 C ATOM 1283 O VAL B 107 -10.883 -8.941 -11.219 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.602 -7.028 -9.237 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.115 -6.778 -9.020 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -12.033 -6.432 -10.586 1.00 0.00 C ATOM 0 H VAL B 107 -10.155 -9.098 -8.248 1.00 0.00 H new ATOM 0 HA VAL B 107 -13.005 -8.562 -8.772 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.149 -6.530 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.910 -5.711 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.828 -7.128 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.542 -7.317 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.759 -5.378 -10.622 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.534 -6.965 -11.395 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -13.113 -6.530 -10.699 1.00 0.00 H new ATOM 1296 N THR B 108 -12.704 -10.160 -10.798 1.00 0.00 N ATOM 1297 CA THR B 108 -12.610 -10.880 -12.051 1.00 0.00 C ATOM 1298 C THR B 108 -12.755 -9.919 -13.230 1.00 0.00 C ATOM 1299 O THR B 108 -13.863 -9.638 -13.689 1.00 0.00 O ATOM 1300 CB THR B 108 -13.653 -11.986 -12.094 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.964 -11.463 -11.990 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.480 -13.001 -11.002 1.00 0.00 C ATOM 0 H THR B 108 -13.487 -10.434 -10.205 1.00 0.00 H new ATOM 0 HA THR B 108 -11.627 -11.344 -12.127 1.00 0.00 H new ATOM 0 HB THR B 108 -13.508 -12.475 -13.057 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.056 -10.691 -12.586 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.255 -13.763 -11.088 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.499 -13.469 -11.092 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.560 -12.510 -10.032 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.614 -9.405 -13.689 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.576 -8.450 -14.791 1.00 0.00 C ATOM 1312 C VAL B 109 -11.596 -9.146 -16.156 1.00 0.00 C ATOM 1313 O VAL B 109 -12.421 -10.032 -16.365 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.365 -7.495 -14.682 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.633 -6.208 -15.447 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -10.056 -7.178 -13.229 1.00 0.00 C ATOM 0 H VAL B 109 -10.697 -9.638 -13.309 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.483 -7.851 -14.712 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.501 -7.995 -15.120 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.771 -5.547 -15.360 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -10.809 -6.439 -16.498 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.512 -5.714 -15.032 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -9.200 -6.505 -13.178 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.921 -6.701 -12.769 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.824 -8.100 -12.697 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.748 -8.685 -17.105 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.720 -9.190 -18.487 1.00 0.00 C ATOM 1328 C ASP B 110 -11.691 -8.344 -19.327 1.00 0.00 C ATOM 1329 O ASP B 110 -11.665 -8.360 -20.558 1.00 0.00 O ATOM 1330 CB ASP B 110 -11.055 -10.686 -18.571 1.00 0.00 C ATOM 1331 CG ASP B 110 -11.359 -11.146 -19.982 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -10.412 -11.451 -20.735 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -12.559 -11.218 -20.328 1.00 0.00 O ATOM 0 H ASP B 110 -10.064 -7.950 -16.927 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.708 -9.096 -18.881 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.217 -11.263 -18.179 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.913 -10.897 -17.933 1.00 0.00 H new ATOM 1338 N SER B 111 -12.506 -7.556 -18.614 1.00 0.00 N ATOM 1339 CA SER B 111 -13.461 -6.641 -19.215 1.00 0.00 C ATOM 1340 C SER B 111 -13.173 -5.222 -18.725 1.00 0.00 C ATOM 1341 O SER B 111 -12.854 -4.348 -19.526 1.00 0.00 O ATOM 1342 CB SER B 111 -14.898 -7.046 -18.868 1.00 0.00 C ATOM 1343 OG SER B 111 -15.839 -6.177 -19.482 1.00 0.00 O ATOM 0 H SER B 111 -12.514 -7.542 -17.594 1.00 0.00 H new ATOM 0 HA SER B 111 -13.357 -6.680 -20.299 1.00 0.00 H new ATOM 0 HB2 SER B 111 -15.079 -8.070 -19.194 1.00 0.00 H new ATOM 0 HB3 SER B 111 -15.033 -7.027 -17.787 1.00 0.00 H new ATOM 0 HG SER B 111 -16.747 -6.459 -19.246 1.00 0.00 H new ATOM 1349 N ASP B 112 -13.311 -5.001 -17.403 1.00 0.00 N ATOM 1350 CA ASP B 112 -13.088 -3.684 -16.797 1.00 0.00 C ATOM 1351 C ASP B 112 -11.822 -2.994 -17.356 1.00 0.00 C ATOM 1352 O ASP B 112 -11.916 -2.244 -18.328 1.00 0.00 O ATOM 1353 CB ASP B 112 -13.051 -3.812 -15.262 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.999 -4.871 -14.725 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.803 -6.065 -15.047 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.937 -4.508 -13.987 1.00 0.00 O ATOM 0 H ASP B 112 -13.577 -5.725 -16.736 1.00 0.00 H new ATOM 0 HA ASP B 112 -13.923 -3.037 -17.065 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.035 -4.051 -14.949 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -13.303 -2.849 -14.818 1.00 0.00 H new ATOM 1361 N SER B 113 -10.641 -3.220 -16.751 1.00 0.00 N ATOM 1362 CA SER B 113 -9.384 -2.598 -17.224 1.00 0.00 C ATOM 1363 C SER B 113 -8.211 -2.960 -16.288 1.00 0.00 C ATOM 1364 O SER B 113 -7.405 -2.109 -15.916 1.00 0.00 O ATOM 1365 CB SER B 113 -9.526 -1.071 -17.324 1.00 0.00 C ATOM 1366 OG SER B 113 -9.043 -0.592 -18.573 1.00 0.00 O ATOM 0 H SER B 113 -10.528 -3.825 -15.938 1.00 0.00 H new ATOM 0 HA SER B 113 -9.174 -2.990 -18.219 1.00 0.00 H new ATOM 0 HB2 SER B 113 -10.573 -0.792 -17.204 1.00 0.00 H new ATOM 0 HB3 SER B 113 -8.975 -0.598 -16.512 1.00 0.00 H new ATOM 0 HG SER B 113 -9.543 0.210 -18.831 1.00 0.00 H new ATOM 1372 N TYR B 114 -8.143 -4.235 -15.910 1.00 0.00 N ATOM 1373 CA TYR B 114 -7.100 -4.760 -15.011 1.00 0.00 C ATOM 1374 C TYR B 114 -5.794 -5.105 -15.740 1.00 0.00 C ATOM 1375 O TYR B 114 -4.700 -4.875 -15.221 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.642 -5.999 -14.321 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.621 -7.077 -14.092 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.801 -7.048 -12.980 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.489 -8.127 -14.982 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.877 -8.037 -12.751 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.569 -9.125 -14.767 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.763 -9.082 -13.648 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.840 -10.080 -13.438 1.00 0.00 O ATOM 0 H TYR B 114 -8.811 -4.942 -16.217 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.856 -3.979 -14.291 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.068 -5.709 -13.361 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.456 -6.407 -14.920 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.889 -6.232 -12.278 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.118 -8.163 -15.859 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.244 -7.999 -11.877 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.477 -9.939 -15.471 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.303 -9.867 -12.647 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.915 -5.719 -16.913 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.743 -6.171 -17.673 1.00 0.00 C ATOM 1395 C GLN B 115 -3.652 -5.097 -17.815 1.00 0.00 C ATOM 1396 O GLN B 115 -2.481 -5.408 -17.643 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.154 -6.679 -19.062 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.532 -6.221 -19.517 1.00 0.00 C ATOM 1399 CD GLN B 115 -6.603 -5.976 -21.014 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -5.596 -6.032 -21.715 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.796 -5.697 -21.512 1.00 0.00 N ATOM 0 H GLN B 115 -6.809 -5.917 -17.362 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.312 -6.987 -17.093 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.415 -6.346 -19.791 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -5.130 -7.769 -19.059 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -7.270 -6.974 -19.241 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.798 -5.305 -18.990 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -8.609 -5.660 -20.897 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -7.903 -5.519 -22.511 1.00 0.00 H new ATOM 1410 N LEU B 116 -4.016 -3.850 -18.113 1.00 0.00 N ATOM 1411 CA LEU B 116 -3.013 -2.771 -18.257 1.00 0.00 C ATOM 1412 C LEU B 116 -2.022 -2.736 -17.075 1.00 0.00 C ATOM 1413 O LEU B 116 -0.855 -2.383 -17.237 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.716 -1.413 -18.384 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.286 -0.554 -19.576 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.919 0.826 -19.487 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.771 -0.439 -19.642 1.00 0.00 C ATOM 0 H LEU B 116 -4.981 -3.555 -18.259 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.441 -2.978 -19.162 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.790 -1.585 -18.452 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.541 -0.847 -17.469 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.630 -1.039 -20.489 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.605 1.426 -20.341 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.005 0.729 -19.491 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.602 1.313 -18.565 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.490 0.176 -20.497 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.401 0.022 -18.726 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.335 -1.432 -19.750 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.504 -3.141 -15.907 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.658 -3.191 -14.712 1.00 0.00 C ATOM 1431 C LEU B 117 -0.758 -4.423 -14.719 1.00 0.00 C ATOM 1432 O LEU B 117 0.470 -4.323 -14.713 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.492 -3.148 -13.444 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.365 -1.852 -12.645 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.108 -1.884 -11.801 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.335 -0.653 -13.574 1.00 0.00 C ATOM 0 H LEU B 117 -3.468 -3.438 -15.757 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.021 -2.307 -14.730 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.539 -3.296 -13.708 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.203 -3.983 -12.806 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.232 -1.763 -11.991 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.026 -0.956 -11.235 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.154 -2.727 -11.111 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.238 -1.992 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.244 0.260 -12.986 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.483 -0.737 -14.249 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.256 -0.620 -14.156 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.388 -5.588 -14.748 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.684 -6.866 -14.764 1.00 0.00 C ATOM 1450 C LYS B 118 0.150 -7.018 -16.021 1.00 0.00 C ATOM 1451 O LYS B 118 1.145 -7.742 -16.041 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.696 -7.997 -14.677 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.739 -7.901 -15.768 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.916 -9.230 -16.493 1.00 0.00 C ATOM 1455 CE LYS B 118 -3.056 -9.038 -17.997 1.00 0.00 C ATOM 1456 NZ LYS B 118 -1.920 -9.653 -18.746 1.00 0.00 N ATOM 0 H LYS B 118 -2.404 -5.676 -14.761 1.00 0.00 H new ATOM 0 HA LYS B 118 -0.011 -6.902 -13.908 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -1.179 -8.954 -14.751 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -2.185 -7.973 -13.703 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.691 -7.592 -15.336 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.449 -7.131 -16.483 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -2.061 -9.874 -16.287 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.799 -9.740 -16.108 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.994 -9.480 -18.333 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -3.106 -7.973 -18.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.053 -9.500 -19.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.027 -9.214 -18.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -1.887 -10.674 -18.550 1.00 0.00 H new ATOM 1470 N ALA B 119 -0.270 -6.325 -17.068 1.00 0.00 N ATOM 1471 CA ALA B 119 0.426 -6.367 -18.340 1.00 0.00 C ATOM 1472 C ALA B 119 1.896 -5.998 -18.158 1.00 0.00 C ATOM 1473 O ALA B 119 2.759 -6.453 -18.908 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.238 -5.443 -19.350 1.00 0.00 C ATOM 0 H ALA B 119 -1.094 -5.724 -17.059 1.00 0.00 H new ATOM 0 HA ALA B 119 0.372 -7.385 -18.725 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.301 -5.491 -20.296 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.271 -5.755 -19.505 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.220 -4.420 -18.974 1.00 0.00 H new ATOM 1480 N TYR B 120 2.162 -5.168 -17.151 1.00 0.00 N ATOM 1481 CA TYR B 120 3.512 -4.730 -16.850 1.00 0.00 C ATOM 1482 C TYR B 120 4.149 -5.621 -15.783 1.00 0.00 C ATOM 1483 O TYR B 120 5.310 -5.992 -15.934 1.00 0.00 O ATOM 1484 CB TYR B 120 3.495 -3.246 -16.467 1.00 0.00 C ATOM 1485 CG TYR B 120 2.864 -2.401 -17.557 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.815 -2.874 -18.869 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.286 -1.169 -17.289 1.00 0.00 C ATOM 1488 CE1 TYR B 120 2.221 -2.142 -19.874 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.682 -0.437 -18.301 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.656 -0.927 -19.585 1.00 0.00 C ATOM 1491 OH TYR B 120 1.058 -0.198 -20.585 1.00 0.00 O ATOM 0 H TYR B 120 1.450 -4.786 -16.529 1.00 0.00 H new ATOM 0 HA TYR B 120 4.140 -4.830 -17.735 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.942 -3.115 -15.537 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.514 -2.904 -16.283 1.00 0.00 H new ATOM 0 HD1 TYR B 120 3.252 -3.834 -19.102 1.00 0.00 H new ATOM 0 HD2 TYR B 120 2.306 -0.776 -16.283 1.00 0.00 H new ATOM 0 HE1 TYR B 120 2.201 -2.524 -20.884 1.00 0.00 H new ATOM 0 HE2 TYR B 120 1.232 0.519 -18.080 1.00 0.00 H new ATOM 0 HH TYR B 120 0.706 0.638 -20.214 1.00 0.00 H new ATOM 1501 N ASP B 121 3.370 -5.978 -14.731 1.00 0.00 N ATOM 1502 CA ASP B 121 3.833 -6.871 -13.638 1.00 0.00 C ATOM 1503 C ASP B 121 3.644 -6.193 -12.292 1.00 0.00 C ATOM 1504 O ASP B 121 4.579 -6.004 -11.512 1.00 0.00 O ATOM 1505 CB ASP B 121 5.285 -7.325 -13.813 1.00 0.00 C ATOM 1506 CG ASP B 121 5.651 -8.478 -12.900 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.047 -9.563 -13.040 1.00 0.00 O ATOM 1508 OD2 ASP B 121 6.547 -8.301 -12.050 1.00 0.00 O ATOM 0 H ASP B 121 2.409 -5.657 -14.616 1.00 0.00 H new ATOM 0 HA ASP B 121 3.219 -7.771 -13.681 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.446 -7.622 -14.849 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.951 -6.485 -13.615 1.00 0.00 H new ATOM 1513 N VAL B 122 2.414 -5.781 -12.072 1.00 0.00 N ATOM 1514 CA VAL B 122 2.038 -5.068 -10.878 1.00 0.00 C ATOM 1515 C VAL B 122 0.649 -5.465 -10.394 1.00 0.00 C ATOM 1516 O VAL B 122 0.428 -5.583 -9.187 1.00 0.00 O ATOM 1517 CB VAL B 122 2.142 -3.564 -11.182 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.340 -3.182 -12.414 1.00 0.00 C ATOM 1519 CG2 VAL B 122 1.755 -2.712 -9.981 1.00 0.00 C ATOM 0 H VAL B 122 1.644 -5.934 -12.723 1.00 0.00 H new ATOM 0 HA VAL B 122 2.711 -5.325 -10.060 1.00 0.00 H new ATOM 0 HB VAL B 122 3.190 -3.358 -11.398 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.439 -2.112 -12.595 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.715 -3.732 -13.277 1.00 0.00 H new ATOM 0 HG13 VAL B 122 0.290 -3.427 -12.255 1.00 0.00 H new ATOM 0 HG21 VAL B 122 1.843 -1.657 -10.240 1.00 0.00 H new ATOM 0 HG22 VAL B 122 0.726 -2.931 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL B 122 2.419 -2.937 -9.146 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.288 -5.685 -11.320 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.639 -6.073 -10.943 1.00 0.00 C ATOM 1531 C ASN B 123 -2.204 -5.047 -9.959 1.00 0.00 C ATOM 1532 O ASN B 123 -2.378 -3.880 -10.314 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.639 -7.495 -10.345 1.00 0.00 C ATOM 1534 CG ASN B 123 -1.317 -8.568 -11.370 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -2.215 -9.191 -11.934 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -0.036 -8.795 -11.615 1.00 0.00 N ATOM 0 H ASN B 123 -0.133 -5.601 -12.325 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.278 -6.091 -11.826 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.911 -7.543 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.616 -7.699 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.235 -9.508 -12.292 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.680 -8.257 -11.127 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.505 -5.466 -8.738 1.00 0.00 N ATOM 1544 CA ILE B 124 -3.060 -4.531 -7.770 1.00 0.00 C ATOM 1545 C ILE B 124 -2.600 -4.745 -6.335 1.00 0.00 C ATOM 1546 O ILE B 124 -3.123 -4.087 -5.432 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.593 -4.523 -7.773 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.148 -5.655 -8.618 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.114 -3.186 -8.265 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.674 -6.998 -8.146 1.00 0.00 C ATOM 0 H ILE B 124 -2.379 -6.420 -8.400 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.670 -3.572 -8.110 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.932 -4.675 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.237 -5.626 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.850 -5.511 -9.657 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.204 -3.197 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.756 -2.392 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.756 -3.007 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.097 -7.777 -8.781 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.586 -7.039 -8.198 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.994 -7.156 -7.116 1.00 0.00 H new ATOM 1562 N SER B 125 -1.663 -5.662 -6.103 1.00 0.00 N ATOM 1563 CA SER B 125 -1.215 -5.923 -4.725 1.00 0.00 C ATOM 1564 C SER B 125 -1.122 -4.604 -3.945 1.00 0.00 C ATOM 1565 O SER B 125 -1.868 -4.378 -2.980 1.00 0.00 O ATOM 1566 CB SER B 125 0.143 -6.623 -4.717 1.00 0.00 C ATOM 1567 OG SER B 125 0.192 -7.632 -3.720 1.00 0.00 O ATOM 0 H SER B 125 -1.208 -6.224 -6.822 1.00 0.00 H new ATOM 0 HA SER B 125 -1.944 -6.577 -4.247 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.334 -7.064 -5.695 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.931 -5.892 -4.538 1.00 0.00 H new ATOM 0 HG SER B 125 1.071 -8.066 -3.737 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.224 -3.723 -4.387 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.066 -2.425 -3.749 1.00 0.00 C ATOM 1575 C GLY B 126 -1.035 -1.388 -4.299 1.00 0.00 C ATOM 1576 O GLY B 126 -1.465 -0.494 -3.574 1.00 0.00 O ATOM 0 H GLY B 126 0.398 -3.887 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.221 -2.530 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.956 -2.075 -3.891 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.391 -1.515 -5.584 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.324 -0.587 -6.221 1.00 0.00 C ATOM 1582 C LEU B 127 -3.630 -0.524 -5.447 1.00 0.00 C ATOM 1583 O LEU B 127 -3.997 0.519 -4.927 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.613 -1.029 -7.654 1.00 0.00 C ATOM 1585 CG LEU B 127 -3.337 -0.003 -8.513 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -2.420 1.160 -8.826 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -3.841 -0.649 -9.793 1.00 0.00 C ATOM 0 H LEU B 127 -1.045 -2.252 -6.199 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.864 0.401 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.669 -1.283 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.210 -1.940 -7.623 1.00 0.00 H new ATOM 0 HG LEU B 127 -4.195 0.376 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -2.951 1.887 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -2.103 1.634 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -1.545 0.798 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.357 0.096 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.998 -1.051 -10.354 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.530 -1.456 -9.546 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.314 -1.664 -5.360 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.571 -1.747 -4.628 1.00 0.00 C ATOM 1601 C VAL B 128 -5.389 -1.205 -3.211 1.00 0.00 C ATOM 1602 O VAL B 128 -5.976 -0.212 -2.844 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.102 -3.202 -4.585 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.025 -3.423 -3.394 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.822 -3.542 -5.880 1.00 0.00 C ATOM 0 H VAL B 128 -4.017 -2.541 -5.788 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.309 -1.138 -5.151 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.245 -3.865 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.379 -4.454 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.480 -3.227 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.877 -2.747 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.189 -4.567 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.662 -2.862 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.132 -3.441 -6.717 1.00 0.00 H new ATOM 1615 N SER B 129 -4.550 -1.857 -2.433 1.00 0.00 N ATOM 1616 CA SER B 129 -4.271 -1.450 -1.058 1.00 0.00 C ATOM 1617 C SER B 129 -3.932 0.043 -0.924 1.00 0.00 C ATOM 1618 O SER B 129 -4.476 0.718 -0.046 1.00 0.00 O ATOM 1619 CB SER B 129 -3.115 -2.281 -0.528 1.00 0.00 C ATOM 1620 OG SER B 129 -2.050 -2.333 -1.464 1.00 0.00 O ATOM 0 H SER B 129 -4.037 -2.687 -2.731 1.00 0.00 H new ATOM 0 HA SER B 129 -5.179 -1.617 -0.478 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.758 -1.856 0.410 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.460 -3.291 -0.309 1.00 0.00 H new ATOM 0 HG SER B 129 -1.861 -3.267 -1.693 1.00 0.00 H new ATOM 1626 N THR B 130 -3.052 0.569 -1.782 1.00 0.00 N ATOM 1627 CA THR B 130 -2.691 1.984 -1.715 1.00 0.00 C ATOM 1628 C THR B 130 -3.848 2.826 -2.223 1.00 0.00 C ATOM 1629 O THR B 130 -4.249 3.804 -1.588 1.00 0.00 O ATOM 1630 CB THR B 130 -1.406 2.268 -2.514 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.631 3.261 -1.870 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.643 2.740 -3.935 1.00 0.00 C ATOM 0 H THR B 130 -2.584 0.043 -2.520 1.00 0.00 H new ATOM 0 HA THR B 130 -2.490 2.248 -0.677 1.00 0.00 H new ATOM 0 HB THR B 130 -0.892 1.308 -2.557 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.183 3.429 -2.389 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.685 2.916 -4.424 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.196 1.978 -4.484 1.00 0.00 H new ATOM 0 HG23 THR B 130 -2.218 3.666 -3.920 1.00 0.00 H new ATOM 1640 N THR B 131 -4.389 2.425 -3.369 1.00 0.00 N ATOM 1641 CA THR B 131 -5.512 3.123 -3.964 1.00 0.00 C ATOM 1642 C THR B 131 -6.670 3.150 -2.978 1.00 0.00 C ATOM 1643 O THR B 131 -7.184 4.212 -2.634 1.00 0.00 O ATOM 1644 CB THR B 131 -5.942 2.461 -5.277 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.988 2.701 -6.296 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.283 2.938 -5.787 1.00 0.00 C ATOM 0 H THR B 131 -4.064 1.618 -3.901 1.00 0.00 H new ATOM 0 HA THR B 131 -5.207 4.144 -4.194 1.00 0.00 H new ATOM 0 HB THR B 131 -6.020 1.399 -5.046 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.264 2.044 -6.228 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.521 2.426 -6.719 1.00 0.00 H new ATOM 0 HG22 THR B 131 -8.052 2.720 -5.046 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.244 4.013 -5.963 1.00 0.00 H new ATOM 1654 N MET B 132 -7.045 1.967 -2.501 1.00 0.00 N ATOM 1655 CA MET B 132 -8.108 1.822 -1.526 1.00 0.00 C ATOM 1656 C MET B 132 -7.883 2.773 -0.362 1.00 0.00 C ATOM 1657 O MET B 132 -8.765 3.524 -0.029 1.00 0.00 O ATOM 1658 CB MET B 132 -8.179 0.375 -1.035 1.00 0.00 C ATOM 1659 CG MET B 132 -8.507 -0.623 -2.135 1.00 0.00 C ATOM 1660 SD MET B 132 -10.211 -0.532 -2.666 1.00 0.00 S ATOM 1661 CE MET B 132 -10.538 -2.253 -2.963 1.00 0.00 C ATOM 0 H MET B 132 -6.617 1.085 -2.783 1.00 0.00 H new ATOM 0 HA MET B 132 -9.058 2.073 -1.998 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.224 0.105 -0.584 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.934 0.302 -0.252 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.855 -0.443 -2.989 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.295 -1.631 -1.780 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.678 -2.418 -4.031 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.696 -2.849 -2.611 1.00 0.00 H new ATOM 0 HE3 MET B 132 -11.441 -2.549 -2.429 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.692 2.741 0.247 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.374 3.633 1.373 1.00 0.00 C ATOM 1673 C GLN B 133 -6.620 5.098 1.010 1.00 0.00 C ATOM 1674 O GLN B 133 -7.291 5.825 1.750 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.915 3.439 1.805 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.411 4.498 2.782 1.00 0.00 C ATOM 1677 CD GLN B 133 -2.922 4.759 2.649 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.498 5.866 2.315 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.117 3.739 2.908 1.00 0.00 N ATOM 0 H GLN B 133 -5.935 2.111 -0.018 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.034 3.374 2.201 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.811 2.456 2.265 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.280 3.446 0.919 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.955 5.428 2.615 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.630 4.179 3.801 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -2.508 2.838 3.182 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -1.106 3.855 2.834 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.099 5.524 -0.138 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.296 6.900 -0.590 1.00 0.00 C ATOM 1690 C ASN B 134 -7.776 7.133 -0.875 1.00 0.00 C ATOM 1691 O ASN B 134 -8.349 8.142 -0.456 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.443 7.187 -1.834 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.952 7.192 -1.540 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.502 7.733 -0.530 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.171 6.593 -2.427 1.00 0.00 N ATOM 0 H ASN B 134 -5.543 4.944 -0.767 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.977 7.586 0.194 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.656 6.436 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.730 8.153 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.161 6.570 -2.284 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.579 6.155 -3.253 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.398 6.163 -1.533 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.821 6.224 -1.820 1.00 0.00 C ATOM 1704 C GLU B 135 -10.629 5.904 -0.555 1.00 0.00 C ATOM 1705 O GLU B 135 -11.840 6.043 -0.534 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.180 5.249 -2.941 1.00 0.00 C ATOM 1707 CG GLU B 135 -11.236 5.792 -3.891 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.013 5.381 -5.331 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -9.842 5.330 -5.767 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -12.014 5.122 -6.025 1.00 0.00 O ATOM 0 H GLU B 135 -7.935 5.322 -1.878 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.069 7.234 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.280 5.009 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -10.539 4.318 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -12.218 5.445 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.246 6.880 -3.828 1.00 0.00 H new ATOM 1717 N ALA B 136 -9.934 5.463 0.495 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.548 5.115 1.765 1.00 0.00 C ATOM 1719 C ALA B 136 -10.652 6.339 2.637 1.00 0.00 C ATOM 1720 O ALA B 136 -11.704 6.606 3.217 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.742 4.033 2.464 1.00 0.00 C ATOM 0 H ALA B 136 -8.922 5.338 0.482 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.550 4.730 1.578 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.215 3.783 3.414 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.702 3.144 1.834 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.730 4.394 2.646 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.558 7.089 2.728 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.567 8.300 3.523 1.00 0.00 C ATOM 1729 C ARG B 137 -10.451 9.335 2.871 1.00 0.00 C ATOM 1730 O ARG B 137 -11.369 9.875 3.486 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.182 8.901 3.622 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.496 8.625 4.947 1.00 0.00 C ATOM 1733 CD ARG B 137 -6.096 8.058 4.754 1.00 0.00 C ATOM 1734 NE ARG B 137 -5.753 7.080 5.793 1.00 0.00 N ATOM 1735 CZ ARG B 137 -5.590 7.370 7.079 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -5.717 8.611 7.508 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -5.297 6.414 7.938 1.00 0.00 N ATOM 0 H ARG B 137 -8.672 6.880 2.268 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.931 8.032 4.515 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.565 8.508 2.814 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.251 9.979 3.475 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.438 9.547 5.525 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -8.095 7.923 5.527 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -6.028 7.585 3.774 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.370 8.871 4.767 1.00 0.00 H new ATOM 0 HE ARG B 137 -5.631 6.108 5.507 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -5.942 9.357 6.850 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -5.590 8.824 8.497 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -5.195 5.452 7.615 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -5.172 6.636 8.926 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.118 9.638 1.624 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.837 10.649 0.883 1.00 0.00 C ATOM 1753 C ARG B 138 -12.120 10.134 0.194 1.00 0.00 C ATOM 1754 O ARG B 138 -13.106 10.865 0.097 1.00 0.00 O ATOM 1755 CB ARG B 138 -9.911 11.303 -0.140 1.00 0.00 C ATOM 1756 CG ARG B 138 -9.227 12.553 0.390 1.00 0.00 C ATOM 1757 CD ARG B 138 -9.441 13.742 -0.530 1.00 0.00 C ATOM 1758 NE ARG B 138 -9.261 15.014 0.172 1.00 0.00 N ATOM 1759 CZ ARG B 138 -9.047 16.179 -0.425 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -8.982 16.266 -1.741 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -8.899 17.265 0.305 1.00 0.00 N ATOM 0 H ARG B 138 -9.355 9.196 1.111 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.169 11.384 1.616 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.152 10.583 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.486 11.560 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.613 12.786 1.382 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -8.159 12.365 0.500 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -8.742 13.686 -1.365 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -10.445 13.699 -0.952 1.00 0.00 H new ATOM 0 HE ARG B 138 -9.303 15.004 1.191 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -9.097 15.430 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -8.817 17.169 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -8.949 17.207 1.322 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -8.734 18.165 -0.147 1.00 0.00 H new