USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot 180:sc= -0.101 USER MOD Set 1.2: A 40 HIS : no HD1:sc= -2.78 X(o=-2.9,f=-2.4) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -1.68! USER MOD Set 2.2: A 53 GLN : amide:sc= 0.266 K(o=-1.4,f=-2.5!) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.179 (180deg=0) USER MOD Single : A 2 SER OG : rot 62:sc= 0.572 USER MOD Single : A 3 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.3) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.907 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 30:sc= 0.26 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -3.96! C(o=-6.9!,f=-4!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7) USER MOD Single : A 41 THR OG1 : rot -55:sc= 0.111 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc=-0.00669 (180deg=-0.196) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0847 USER MOD Single : A 52 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.218) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.216 20.893 -9.141 1.00 0.00 N ATOM 2 CA ALA A 1 -13.878 19.634 -8.450 1.00 0.00 C ATOM 3 C ALA A 1 -12.396 19.293 -8.722 1.00 0.00 C ATOM 4 O ALA A 1 -11.728 20.048 -9.410 1.00 0.00 O ATOM 5 CB ALA A 1 -14.810 18.529 -8.950 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.510 21.605 -8.442 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.383 21.240 -9.658 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.993 20.724 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.012 19.734 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.569 17.593 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.844 18.800 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.683 18.405 -10.025 1.00 0.00 H new ATOM 13 N SER A 2 -11.933 18.204 -8.104 1.00 0.00 N ATOM 14 CA SER A 2 -10.546 17.671 -8.205 1.00 0.00 C ATOM 15 C SER A 2 -10.288 16.662 -7.089 1.00 0.00 C ATOM 16 O SER A 2 -10.725 16.833 -5.948 1.00 0.00 O ATOM 17 CB SER A 2 -9.422 18.712 -8.085 1.00 0.00 C ATOM 18 OG SER A 2 -9.066 19.163 -9.398 1.00 0.00 O ATOM 0 H SER A 2 -12.524 17.639 -7.494 1.00 0.00 H new ATOM 0 HA SER A 2 -10.511 17.243 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.750 19.553 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.555 18.276 -7.588 1.00 0.00 H new ATOM 0 HG SER A 2 -9.839 19.597 -9.815 1.00 0.00 H new ATOM 24 N ASN A 3 -9.615 15.603 -7.483 1.00 0.00 N ATOM 25 CA ASN A 3 -9.212 14.534 -6.562 1.00 0.00 C ATOM 26 C ASN A 3 -7.819 14.028 -6.959 1.00 0.00 C ATOM 27 O ASN A 3 -7.423 14.060 -8.120 1.00 0.00 O ATOM 28 CB ASN A 3 -10.237 13.397 -6.581 1.00 0.00 C ATOM 29 CG ASN A 3 -10.043 12.434 -5.402 1.00 0.00 C ATOM 30 OD1 ASN A 3 -10.664 12.541 -4.364 1.00 0.00 O ATOM 31 ND2 ASN A 3 -9.096 11.535 -5.514 1.00 0.00 N ATOM 0 H ASN A 3 -9.326 15.448 -8.449 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.171 14.923 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.243 13.814 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.151 12.846 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.879 10.923 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.576 11.448 -6.387 1.00 0.00 H new ATOM 38 N TYR A 4 -7.132 13.487 -5.960 1.00 0.00 N ATOM 39 CA TYR A 4 -5.814 12.850 -6.112 1.00 0.00 C ATOM 40 C TYR A 4 -5.913 11.663 -7.074 1.00 0.00 C ATOM 41 O TYR A 4 -6.985 11.085 -7.253 1.00 0.00 O ATOM 42 CB TYR A 4 -5.360 12.342 -4.736 1.00 0.00 C ATOM 43 CG TYR A 4 -5.560 13.369 -3.612 1.00 0.00 C ATOM 44 CD1 TYR A 4 -4.946 14.635 -3.694 1.00 0.00 C ATOM 45 CD2 TYR A 4 -6.395 13.003 -2.529 1.00 0.00 C ATOM 46 CE1 TYR A 4 -5.173 15.573 -2.661 1.00 0.00 C ATOM 47 CE2 TYR A 4 -6.616 13.937 -1.504 1.00 0.00 C ATOM 48 CZ TYR A 4 -6.001 15.203 -1.573 1.00 0.00 C ATOM 49 OH TYR A 4 -6.188 16.091 -0.569 1.00 0.00 O ATOM 0 H TYR A 4 -7.476 13.475 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.101 13.572 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.912 11.434 -4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.306 12.070 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.312 14.884 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.853 12.025 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.723 16.554 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.253 13.687 -0.668 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.780 15.700 0.107 1.00 0.00 H new ATOM 59 N ASP A 5 -4.787 11.329 -7.704 1.00 0.00 N ATOM 60 CA ASP A 5 -4.697 10.205 -8.664 1.00 0.00 C ATOM 61 C ASP A 5 -3.250 10.043 -9.138 1.00 0.00 C ATOM 62 O ASP A 5 -2.822 10.629 -10.132 1.00 0.00 O ATOM 63 CB ASP A 5 -5.616 10.473 -9.868 1.00 0.00 C ATOM 64 CG ASP A 5 -6.083 9.165 -10.528 1.00 0.00 C ATOM 65 OD1 ASP A 5 -6.745 8.388 -9.799 1.00 0.00 O ATOM 66 OD2 ASP A 5 -5.832 9.034 -11.733 1.00 0.00 O ATOM 0 H ASP A 5 -3.905 11.824 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.015 9.286 -8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.484 11.047 -9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.087 11.082 -10.601 1.00 0.00 H new ATOM 72 N CYS A 6 -2.487 9.349 -8.297 1.00 0.00 N ATOM 73 CA CYS A 6 -1.051 9.110 -8.540 1.00 0.00 C ATOM 74 C CYS A 6 -0.873 7.880 -9.445 1.00 0.00 C ATOM 75 O CYS A 6 -0.699 8.000 -10.650 1.00 0.00 O ATOM 76 CB CYS A 6 -0.381 8.847 -7.185 1.00 0.00 C ATOM 77 SG CYS A 6 -0.894 9.989 -5.858 1.00 0.00 S ATOM 0 H CYS A 6 -2.835 8.936 -7.432 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.602 9.974 -9.030 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.603 7.826 -6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.700 8.914 -7.308 1.00 0.00 H new ATOM 82 N CYS A 7 -1.004 6.713 -8.818 1.00 0.00 N ATOM 83 CA CYS A 7 -0.993 5.423 -9.525 1.00 0.00 C ATOM 84 C CYS A 7 -2.226 5.361 -10.435 1.00 0.00 C ATOM 85 O CYS A 7 -3.091 6.237 -10.369 1.00 0.00 O ATOM 86 CB CYS A 7 -0.918 4.294 -8.478 1.00 0.00 C ATOM 87 SG CYS A 7 -2.289 3.098 -8.291 1.00 0.00 S ATOM 0 H CYS A 7 -1.121 6.629 -7.808 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.123 5.304 -10.171 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.018 3.718 -8.692 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.771 4.767 -7.507 1.00 0.00 H new ATOM 92 N LEU A 8 -2.326 4.266 -11.185 1.00 0.00 N ATOM 93 CA LEU A 8 -3.459 3.973 -12.086 1.00 0.00 C ATOM 94 C LEU A 8 -4.794 4.458 -11.492 1.00 0.00 C ATOM 95 O LEU A 8 -5.399 5.397 -12.003 1.00 0.00 O ATOM 96 CB LEU A 8 -3.468 2.469 -12.409 1.00 0.00 C ATOM 97 CG LEU A 8 -4.749 2.020 -13.141 1.00 0.00 C ATOM 98 CD1 LEU A 8 -4.413 1.187 -14.381 1.00 0.00 C ATOM 99 CD2 LEU A 8 -5.659 1.237 -12.192 1.00 0.00 C ATOM 0 H LEU A 8 -1.612 3.538 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.333 4.524 -13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.601 2.230 -13.025 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.367 1.903 -11.483 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.280 2.912 -13.473 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.335 0.884 -14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.811 1.782 -15.067 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.854 0.300 -14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.559 0.927 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.132 0.356 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.936 1.870 -11.349 1.00 0.00 H new ATOM 111 N SER A 9 -5.118 3.932 -10.312 1.00 0.00 N ATOM 112 CA SER A 9 -6.315 4.345 -9.557 1.00 0.00 C ATOM 113 C SER A 9 -6.200 3.773 -8.142 1.00 0.00 C ATOM 114 O SER A 9 -5.685 2.672 -7.940 1.00 0.00 O ATOM 115 CB SER A 9 -7.624 3.840 -10.183 1.00 0.00 C ATOM 116 OG SER A 9 -7.727 2.416 -10.109 1.00 0.00 O ATOM 0 H SER A 9 -4.566 3.211 -9.848 1.00 0.00 H new ATOM 0 HA SER A 9 -6.354 5.434 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.472 4.294 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.675 4.156 -11.225 1.00 0.00 H new ATOM 0 HG SER A 9 -8.571 2.128 -10.514 1.00 0.00 H new ATOM 122 N TYR A 10 -6.495 4.660 -7.194 1.00 0.00 N ATOM 123 CA TYR A 10 -6.553 4.338 -5.755 1.00 0.00 C ATOM 124 C TYR A 10 -7.165 2.954 -5.547 1.00 0.00 C ATOM 125 O TYR A 10 -7.885 2.454 -6.408 1.00 0.00 O ATOM 126 CB TYR A 10 -7.387 5.399 -5.026 1.00 0.00 C ATOM 127 CG TYR A 10 -7.285 5.274 -3.500 1.00 0.00 C ATOM 128 CD1 TYR A 10 -6.107 5.721 -2.861 1.00 0.00 C ATOM 129 CD2 TYR A 10 -8.383 4.764 -2.775 1.00 0.00 C ATOM 130 CE1 TYR A 10 -6.029 5.655 -1.471 1.00 0.00 C ATOM 131 CE2 TYR A 10 -8.310 4.701 -1.376 1.00 0.00 C ATOM 132 CZ TYR A 10 -7.127 5.146 -0.745 1.00 0.00 C ATOM 133 OH TYR A 10 -7.030 5.038 0.597 1.00 0.00 O ATOM 0 H TYR A 10 -6.704 5.637 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.542 4.334 -5.349 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.054 6.391 -5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.431 5.307 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.281 6.107 -3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.269 4.426 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.140 5.989 -0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.138 4.322 -0.795 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.865 4.672 0.957 1.00 0.00 H new ATOM 143 N ILE A 11 -6.790 2.332 -4.438 1.00 0.00 N ATOM 144 CA ILE A 11 -7.335 1.024 -4.075 1.00 0.00 C ATOM 145 C ILE A 11 -8.865 1.090 -3.958 1.00 0.00 C ATOM 146 O ILE A 11 -9.448 1.350 -2.897 1.00 0.00 O ATOM 147 CB ILE A 11 -6.643 0.443 -2.831 1.00 0.00 C ATOM 148 CG1 ILE A 11 -7.024 -1.021 -2.599 1.00 0.00 C ATOM 149 CG2 ILE A 11 -6.921 1.243 -1.548 1.00 0.00 C ATOM 150 CD1 ILE A 11 -6.953 -1.915 -3.847 1.00 0.00 C ATOM 0 H ILE A 11 -6.113 2.707 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.116 0.320 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.577 0.514 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.366 -1.436 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.038 -1.058 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.402 0.778 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.565 2.266 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.993 1.254 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.240 -2.933 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.633 -1.532 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.935 -1.915 -4.237 1.00 0.00 H new ATOM 162 N GLN A 12 -9.502 0.828 -5.084 1.00 0.00 N ATOM 163 CA GLN A 12 -10.968 0.833 -5.183 1.00 0.00 C ATOM 164 C GLN A 12 -11.599 -0.174 -4.210 1.00 0.00 C ATOM 165 O GLN A 12 -12.767 -0.051 -3.864 1.00 0.00 O ATOM 166 CB GLN A 12 -11.412 0.585 -6.629 1.00 0.00 C ATOM 167 CG GLN A 12 -10.990 -0.799 -7.142 1.00 0.00 C ATOM 168 CD GLN A 12 -11.383 -0.997 -8.594 1.00 0.00 C ATOM 169 OE1 GLN A 12 -10.817 -0.420 -9.515 1.00 0.00 O ATOM 170 NE2 GLN A 12 -12.377 -1.829 -8.825 1.00 0.00 N ATOM 0 H GLN A 12 -9.028 0.605 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.326 1.821 -4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.496 0.679 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.986 1.354 -7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.911 -0.914 -7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.454 -1.572 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.838 -2.302 -8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.686 -2.001 -9.782 1.00 0.00 H new ATOM 179 N THR A 13 -10.768 -1.142 -3.818 1.00 0.00 N ATOM 180 CA THR A 13 -11.119 -2.214 -2.884 1.00 0.00 C ATOM 181 C THR A 13 -9.944 -2.636 -2.003 1.00 0.00 C ATOM 182 O THR A 13 -9.044 -3.353 -2.460 1.00 0.00 O ATOM 183 CB THR A 13 -11.796 -3.373 -3.643 1.00 0.00 C ATOM 184 OG1 THR A 13 -13.187 -3.027 -3.591 1.00 0.00 O ATOM 185 CG2 THR A 13 -11.590 -4.799 -3.118 1.00 0.00 C ATOM 0 H THR A 13 -9.806 -1.204 -4.151 1.00 0.00 H new ATOM 0 HA THR A 13 -11.852 -1.834 -2.172 1.00 0.00 H new ATOM 0 HB THR A 13 -11.345 -3.445 -4.633 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.281 -2.052 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.126 -5.502 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.527 -5.040 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.970 -4.870 -2.099 1.00 0.00 H new ATOM 193 N PRO A 14 -9.980 -2.235 -0.736 1.00 0.00 N ATOM 194 CA PRO A 14 -8.961 -2.623 0.237 1.00 0.00 C ATOM 195 C PRO A 14 -9.013 -4.100 0.596 1.00 0.00 C ATOM 196 O PRO A 14 -9.938 -4.563 1.264 1.00 0.00 O ATOM 197 CB PRO A 14 -9.206 -1.723 1.443 1.00 0.00 C ATOM 198 CG PRO A 14 -10.587 -1.111 1.319 1.00 0.00 C ATOM 199 CD PRO A 14 -10.997 -1.334 -0.137 1.00 0.00 C ATOM 0 HA PRO A 14 -7.958 -2.493 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.129 -2.298 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.449 -0.941 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.291 -1.586 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.570 -0.049 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.990 -1.779 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.040 -0.387 -0.676 1.00 0.00 H new ATOM 207 N LEU A 15 -8.022 -4.844 0.129 1.00 0.00 N ATOM 208 CA LEU A 15 -7.976 -6.297 0.355 1.00 0.00 C ATOM 209 C LEU A 15 -7.008 -6.684 1.484 1.00 0.00 C ATOM 210 O LEU A 15 -6.100 -5.923 1.769 1.00 0.00 O ATOM 211 CB LEU A 15 -7.709 -7.047 -0.958 1.00 0.00 C ATOM 212 CG LEU A 15 -6.560 -6.461 -1.779 1.00 0.00 C ATOM 213 CD1 LEU A 15 -5.714 -7.619 -2.250 1.00 0.00 C ATOM 214 CD2 LEU A 15 -7.115 -5.698 -2.987 1.00 0.00 C ATOM 0 H LEU A 15 -7.237 -4.476 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.959 -6.612 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.487 -8.090 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.616 -7.038 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.971 -5.766 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.880 -7.243 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.330 -8.164 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.320 -8.288 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.290 -5.284 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.692 -6.378 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.758 -4.888 -2.642 1.00 0.00 H new ATOM 226 N PRO A 16 -7.192 -7.803 2.197 1.00 0.00 N ATOM 227 CA PRO A 16 -6.301 -8.160 3.310 1.00 0.00 C ATOM 228 C PRO A 16 -4.898 -8.494 2.788 1.00 0.00 C ATOM 229 O PRO A 16 -4.774 -9.032 1.692 1.00 0.00 O ATOM 230 CB PRO A 16 -6.968 -9.356 3.997 1.00 0.00 C ATOM 231 CG PRO A 16 -7.871 -9.979 2.924 1.00 0.00 C ATOM 232 CD PRO A 16 -8.189 -8.862 1.933 1.00 0.00 C ATOM 0 HA PRO A 16 -6.163 -7.340 4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.226 -10.071 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.547 -9.040 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.369 -10.809 2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.784 -10.378 3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.120 -9.218 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.204 -8.490 2.074 1.00 0.00 H new ATOM 240 N SER A 17 -3.893 -8.237 3.619 1.00 0.00 N ATOM 241 CA SER A 17 -2.479 -8.589 3.325 1.00 0.00 C ATOM 242 C SER A 17 -2.253 -10.050 2.928 1.00 0.00 C ATOM 243 O SER A 17 -1.334 -10.355 2.169 1.00 0.00 O ATOM 244 CB SER A 17 -1.532 -8.252 4.475 1.00 0.00 C ATOM 245 OG SER A 17 -1.929 -9.007 5.622 1.00 0.00 O ATOM 0 H SER A 17 -4.020 -7.778 4.521 1.00 0.00 H new ATOM 0 HA SER A 17 -2.249 -7.967 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.504 -8.490 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.565 -7.185 4.693 1.00 0.00 H new ATOM 0 HG SER A 17 -1.330 -8.804 6.371 1.00 0.00 H new ATOM 251 N ARG A 18 -3.236 -10.886 3.248 1.00 0.00 N ATOM 252 CA ARG A 18 -3.327 -12.288 2.781 1.00 0.00 C ATOM 253 C ARG A 18 -3.352 -12.435 1.251 1.00 0.00 C ATOM 254 O ARG A 18 -3.100 -13.515 0.726 1.00 0.00 O ATOM 255 CB ARG A 18 -4.578 -12.963 3.361 1.00 0.00 C ATOM 256 CG ARG A 18 -4.221 -13.652 4.667 1.00 0.00 C ATOM 257 CD ARG A 18 -5.461 -14.300 5.256 1.00 0.00 C ATOM 258 NE ARG A 18 -5.199 -14.679 6.658 1.00 0.00 N ATOM 259 CZ ARG A 18 -5.965 -15.461 7.414 1.00 0.00 C ATOM 260 NH1 ARG A 18 -7.066 -16.023 6.929 1.00 0.00 N ATOM 261 NH2 ARG A 18 -5.629 -15.698 8.672 1.00 0.00 N ATOM 0 H ARG A 18 -4.013 -10.614 3.851 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.419 -12.774 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.359 -12.222 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.975 -13.689 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.452 -14.405 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.807 -12.929 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.304 -13.610 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.735 -15.181 4.675 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.352 -14.307 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.338 -15.858 5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.639 -16.619 7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.783 -15.281 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.216 -16.297 9.252 1.00 0.00 H new ATOM 275 N ALA A 19 -3.704 -11.354 0.576 1.00 0.00 N ATOM 276 CA ALA A 19 -3.696 -11.286 -0.894 1.00 0.00 C ATOM 277 C ALA A 19 -2.586 -10.370 -1.436 1.00 0.00 C ATOM 278 O ALA A 19 -2.429 -10.226 -2.653 1.00 0.00 O ATOM 279 CB ALA A 19 -5.081 -10.822 -1.333 1.00 0.00 C ATOM 0 H ALA A 19 -4.006 -10.489 1.025 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.475 -12.270 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.116 -10.759 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.830 -11.534 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.288 -9.841 -0.906 1.00 0.00 H new ATOM 285 N ILE A 20 -1.763 -9.838 -0.536 1.00 0.00 N ATOM 286 CA ILE A 20 -0.613 -8.993 -0.874 1.00 0.00 C ATOM 287 C ILE A 20 0.652 -9.845 -0.736 1.00 0.00 C ATOM 288 O ILE A 20 1.081 -10.220 0.359 1.00 0.00 O ATOM 289 CB ILE A 20 -0.595 -7.740 0.027 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.692 -6.757 -0.378 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.771 -7.031 0.011 1.00 0.00 C ATOM 292 CD1 ILE A 20 -3.093 -7.049 0.136 1.00 0.00 C ATOM 0 H ILE A 20 -1.876 -9.983 0.467 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.674 -8.629 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.782 -8.086 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.403 -5.764 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.730 -6.719 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.734 -6.156 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.540 -7.715 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.007 -6.719 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.779 -6.280 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.419 -8.023 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.087 -7.053 1.226 1.00 0.00 H new ATOM 304 N VAL A 21 1.251 -10.028 -1.892 1.00 0.00 N ATOM 305 CA VAL A 21 2.518 -10.769 -2.017 1.00 0.00 C ATOM 306 C VAL A 21 3.743 -9.850 -1.959 1.00 0.00 C ATOM 307 O VAL A 21 4.714 -10.140 -1.259 1.00 0.00 O ATOM 308 CB VAL A 21 2.538 -11.677 -3.260 1.00 0.00 C ATOM 309 CG1 VAL A 21 1.634 -12.870 -2.981 1.00 0.00 C ATOM 310 CG2 VAL A 21 2.163 -10.997 -4.590 1.00 0.00 C ATOM 0 H VAL A 21 0.887 -9.675 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 21 2.579 -11.421 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 21 3.574 -11.979 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.628 -13.533 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.005 -13.412 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.620 -12.520 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.210 -11.727 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.152 -10.596 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.862 -10.186 -4.794 1.00 0.00 H new ATOM 320 N GLY A 22 3.631 -8.725 -2.650 1.00 0.00 N ATOM 321 CA GLY A 22 4.676 -7.698 -2.719 1.00 0.00 C ATOM 322 C GLY A 22 4.023 -6.321 -2.657 1.00 0.00 C ATOM 323 O GLY A 22 2.809 -6.206 -2.790 1.00 0.00 O ATOM 0 H GLY A 22 2.798 -8.490 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.378 -7.819 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.247 -7.803 -3.642 1.00 0.00 H new ATOM 327 N PHE A 23 4.826 -5.359 -2.227 1.00 0.00 N ATOM 328 CA PHE A 23 4.398 -3.961 -2.119 1.00 0.00 C ATOM 329 C PHE A 23 5.558 -3.022 -1.815 1.00 0.00 C ATOM 330 O PHE A 23 6.601 -3.451 -1.336 1.00 0.00 O ATOM 331 CB PHE A 23 3.273 -3.759 -1.096 1.00 0.00 C ATOM 332 CG PHE A 23 3.714 -4.105 0.310 1.00 0.00 C ATOM 333 CD1 PHE A 23 3.868 -5.458 0.689 1.00 0.00 C ATOM 334 CD2 PHE A 23 3.964 -3.032 1.171 1.00 0.00 C ATOM 335 CE1 PHE A 23 4.314 -5.753 1.988 1.00 0.00 C ATOM 336 CE2 PHE A 23 4.381 -3.332 2.477 1.00 0.00 C ATOM 337 CZ PHE A 23 4.570 -4.675 2.864 1.00 0.00 C ATOM 0 H PHE A 23 5.792 -5.519 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 23 4.001 -3.706 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.938 -2.722 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.419 -4.378 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.646 -6.252 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.841 -2.010 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.457 -6.775 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.557 -2.535 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.922 -4.886 3.863 1.00 0.00 H new ATOM 347 N THR A 24 5.288 -1.738 -2.004 1.00 0.00 N ATOM 348 CA THR A 24 6.302 -0.695 -1.798 1.00 0.00 C ATOM 349 C THR A 24 5.629 0.562 -1.233 1.00 0.00 C ATOM 350 O THR A 24 4.397 0.688 -1.185 1.00 0.00 O ATOM 351 CB THR A 24 7.029 -0.427 -3.124 1.00 0.00 C ATOM 352 OG1 THR A 24 7.091 -1.631 -3.903 1.00 0.00 O ATOM 353 CG2 THR A 24 8.467 0.044 -2.860 1.00 0.00 C ATOM 0 H THR A 24 4.377 -1.386 -2.300 1.00 0.00 H new ATOM 0 HA THR A 24 7.049 -1.019 -1.074 1.00 0.00 H new ATOM 0 HB THR A 24 6.477 0.344 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.555 -1.451 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.969 0.230 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.447 0.963 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.007 -0.726 -2.309 1.00 0.00 H new ATOM 361 N ARG A 25 6.465 1.452 -0.735 1.00 0.00 N ATOM 362 CA ARG A 25 6.020 2.727 -0.131 1.00 0.00 C ATOM 363 C ARG A 25 5.964 3.824 -1.205 1.00 0.00 C ATOM 364 O ARG A 25 6.773 3.840 -2.131 1.00 0.00 O ATOM 365 CB ARG A 25 7.030 3.155 0.940 1.00 0.00 C ATOM 366 CG ARG A 25 7.084 2.191 2.120 1.00 0.00 C ATOM 367 CD ARG A 25 6.085 2.592 3.202 1.00 0.00 C ATOM 368 NE ARG A 25 6.776 2.530 4.508 1.00 0.00 N ATOM 369 CZ ARG A 25 6.335 3.073 5.646 1.00 0.00 C ATOM 370 NH1 ARG A 25 5.172 3.702 5.711 1.00 0.00 N ATOM 371 NH2 ARG A 25 7.038 2.920 6.761 1.00 0.00 N ATOM 0 H ARG A 25 7.477 1.326 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 25 5.032 2.586 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.020 3.228 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.770 4.150 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.867 1.179 1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.091 2.178 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.707 3.598 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.225 1.922 3.194 1.00 0.00 H new ATOM 0 HE ARG A 25 7.665 2.030 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.588 3.781 4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.860 4.107 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.910 2.390 6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.707 3.332 7.633 1.00 0.00 H new ATOM 385 N GLN A 26 4.987 4.700 -1.053 1.00 0.00 N ATOM 386 CA GLN A 26 4.819 5.828 -1.986 1.00 0.00 C ATOM 387 C GLN A 26 4.630 7.120 -1.194 1.00 0.00 C ATOM 388 O GLN A 26 3.609 7.327 -0.541 1.00 0.00 O ATOM 389 CB GLN A 26 3.612 5.614 -2.898 1.00 0.00 C ATOM 390 CG GLN A 26 3.620 6.539 -4.118 1.00 0.00 C ATOM 391 CD GLN A 26 2.276 6.452 -4.839 1.00 0.00 C ATOM 392 OE1 GLN A 26 1.237 6.822 -4.120 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 2.139 6.120 -6.003 1.00 0.00 N flip ATOM 0 H GLN A 26 4.297 4.663 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 26 5.713 5.895 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.595 4.577 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.698 5.779 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.811 7.566 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.426 6.257 -4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.951 5.835 -6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.213 6.127 -6.430 1.00 0.00 H new ATOM 402 N MET A 27 5.688 7.911 -1.240 1.00 0.00 N ATOM 403 CA MET A 27 5.728 9.219 -0.567 1.00 0.00 C ATOM 404 C MET A 27 4.937 10.259 -1.377 1.00 0.00 C ATOM 405 O MET A 27 4.670 10.082 -2.569 1.00 0.00 O ATOM 406 CB MET A 27 7.182 9.702 -0.387 1.00 0.00 C ATOM 407 CG MET A 27 8.153 8.611 0.094 1.00 0.00 C ATOM 408 SD MET A 27 9.174 8.010 -1.303 1.00 0.00 S ATOM 409 CE MET A 27 9.729 6.447 -0.657 1.00 0.00 C ATOM 0 H MET A 27 6.545 7.676 -1.740 1.00 0.00 H new ATOM 0 HA MET A 27 5.273 9.105 0.417 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.541 10.100 -1.336 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.194 10.525 0.328 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.796 9.007 0.880 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.594 7.782 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 27 10.365 5.954 -1.393 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.295 6.613 0.259 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.867 5.816 -0.442 1.00 0.00 H new ATOM 419 N ALA A 28 4.640 11.362 -0.713 1.00 0.00 N ATOM 420 CA ALA A 28 3.910 12.507 -1.292 1.00 0.00 C ATOM 421 C ALA A 28 4.891 13.575 -1.756 1.00 0.00 C ATOM 422 O ALA A 28 5.539 14.230 -0.944 1.00 0.00 O ATOM 423 CB ALA A 28 3.000 13.091 -0.213 1.00 0.00 C ATOM 0 H ALA A 28 4.899 11.503 0.264 1.00 0.00 H new ATOM 0 HA ALA A 28 3.324 12.174 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.451 13.940 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.296 12.329 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.604 13.422 0.632 1.00 0.00 H new ATOM 429 N ASP A 29 5.124 13.598 -3.076 1.00 0.00 N ATOM 430 CA ASP A 29 6.049 14.549 -3.735 1.00 0.00 C ATOM 431 C ASP A 29 6.142 14.290 -5.238 1.00 0.00 C ATOM 432 O ASP A 29 5.977 15.224 -6.030 1.00 0.00 O ATOM 433 CB ASP A 29 7.480 14.489 -3.178 1.00 0.00 C ATOM 434 CG ASP A 29 7.816 15.744 -2.377 1.00 0.00 C ATOM 435 OD1 ASP A 29 7.735 16.834 -2.966 1.00 0.00 O ATOM 436 OD2 ASP A 29 8.284 15.555 -1.233 1.00 0.00 O ATOM 0 H ASP A 29 4.675 12.954 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 29 5.624 15.532 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.589 13.610 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.188 14.379 -3.999 1.00 0.00 H new ATOM 442 N GLU A 30 6.556 13.070 -5.570 1.00 0.00 N ATOM 443 CA GLU A 30 6.772 12.636 -6.965 1.00 0.00 C ATOM 444 C GLU A 30 5.456 12.714 -7.767 1.00 0.00 C ATOM 445 O GLU A 30 4.590 13.529 -7.468 1.00 0.00 O ATOM 446 CB GLU A 30 7.395 11.229 -6.944 1.00 0.00 C ATOM 447 CG GLU A 30 8.370 11.082 -8.118 1.00 0.00 C ATOM 448 CD GLU A 30 8.167 9.765 -8.885 1.00 0.00 C ATOM 449 OE1 GLU A 30 8.763 8.760 -8.463 1.00 0.00 O ATOM 450 OE2 GLU A 30 7.350 9.814 -9.836 1.00 0.00 O ATOM 0 H GLU A 30 6.755 12.344 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 30 7.466 13.302 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.917 11.065 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.613 10.473 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.241 11.921 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.393 11.129 -7.745 1.00 0.00 H new ATOM 457 N ALA A 31 5.239 11.790 -8.699 1.00 0.00 N ATOM 458 CA ALA A 31 3.971 11.667 -9.454 1.00 0.00 C ATOM 459 C ALA A 31 2.746 11.608 -8.526 1.00 0.00 C ATOM 460 O ALA A 31 1.644 12.036 -8.891 1.00 0.00 O ATOM 461 CB ALA A 31 4.034 10.415 -10.334 1.00 0.00 C ATOM 0 H ALA A 31 5.937 11.094 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 31 3.855 12.556 -10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.104 10.317 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.869 10.501 -11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.174 9.535 -9.706 1.00 0.00 H new ATOM 467 N CYS A 32 2.985 11.195 -7.286 1.00 0.00 N ATOM 468 CA CYS A 32 1.995 11.234 -6.216 1.00 0.00 C ATOM 469 C CYS A 32 2.186 12.469 -5.346 1.00 0.00 C ATOM 470 O CYS A 32 3.290 12.778 -4.906 1.00 0.00 O ATOM 471 CB CYS A 32 2.102 9.977 -5.359 1.00 0.00 C ATOM 472 SG CYS A 32 0.544 9.628 -4.467 1.00 0.00 S ATOM 0 H CYS A 32 3.886 10.818 -6.992 1.00 0.00 H new ATOM 0 HA CYS A 32 1.004 11.279 -6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.357 9.127 -5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.913 10.095 -4.641 1.00 0.00 H new ATOM 477 N ASP A 33 1.041 13.055 -5.000 1.00 0.00 N ATOM 478 CA ASP A 33 0.991 14.192 -4.068 1.00 0.00 C ATOM 479 C ASP A 33 0.634 13.749 -2.639 1.00 0.00 C ATOM 480 O ASP A 33 0.606 14.565 -1.724 1.00 0.00 O ATOM 481 CB ASP A 33 -0.014 15.226 -4.579 1.00 0.00 C ATOM 482 CG ASP A 33 0.025 16.556 -3.808 1.00 0.00 C ATOM 483 OD1 ASP A 33 -1.068 17.130 -3.631 1.00 0.00 O ATOM 484 OD2 ASP A 33 1.146 16.975 -3.452 1.00 0.00 O ATOM 0 H ASP A 33 0.129 12.763 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 33 1.984 14.639 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.182 15.421 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.018 14.807 -4.514 1.00 0.00 H new ATOM 490 N ILE A 34 0.257 12.483 -2.519 1.00 0.00 N ATOM 491 CA ILE A 34 -0.211 11.895 -1.242 1.00 0.00 C ATOM 492 C ILE A 34 0.636 10.639 -0.964 1.00 0.00 C ATOM 493 O ILE A 34 1.388 10.143 -1.817 1.00 0.00 O ATOM 494 CB ILE A 34 -1.749 11.662 -1.227 1.00 0.00 C ATOM 495 CG1 ILE A 34 -2.164 10.233 -1.638 1.00 0.00 C ATOM 496 CG2 ILE A 34 -2.495 12.754 -2.022 1.00 0.00 C ATOM 497 CD1 ILE A 34 -3.667 9.954 -1.803 1.00 0.00 C ATOM 0 H ILE A 34 0.262 11.823 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.060 12.592 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.060 11.752 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.672 9.997 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.772 9.541 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.567 12.559 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.290 13.729 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.156 12.746 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.814 8.914 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.178 10.143 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.076 10.607 -2.574 1.00 0.00 H new ATOM 509 N ASN A 35 0.444 10.093 0.221 1.00 0.00 N ATOM 510 CA ASN A 35 1.083 8.832 0.590 1.00 0.00 C ATOM 511 C ASN A 35 0.156 7.665 0.224 1.00 0.00 C ATOM 512 O ASN A 35 -1.051 7.709 0.466 1.00 0.00 O ATOM 513 CB ASN A 35 1.385 8.841 2.086 1.00 0.00 C ATOM 514 CG ASN A 35 2.423 9.889 2.477 1.00 0.00 C ATOM 515 OD1 ASN A 35 2.316 11.083 2.211 1.00 0.00 O ATOM 516 ND2 ASN A 35 3.460 9.459 3.150 1.00 0.00 N ATOM 0 H ASN A 35 -0.147 10.497 0.948 1.00 0.00 H new ATOM 0 HA ASN A 35 2.020 8.711 0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.463 9.028 2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.741 7.855 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.179 10.116 3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.549 8.467 3.371 1.00 0.00 H new ATOM 523 N ALA A 36 0.730 6.711 -0.497 1.00 0.00 N ATOM 524 CA ALA A 36 0.012 5.470 -0.846 1.00 0.00 C ATOM 525 C ALA A 36 0.945 4.261 -0.797 1.00 0.00 C ATOM 526 O ALA A 36 2.149 4.401 -0.612 1.00 0.00 O ATOM 527 CB ALA A 36 -0.697 5.575 -2.197 1.00 0.00 C ATOM 0 H ALA A 36 1.684 6.762 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.763 5.325 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.212 4.638 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.422 6.388 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.037 5.773 -2.978 1.00 0.00 H new ATOM 533 N ILE A 37 0.335 3.092 -0.735 1.00 0.00 N ATOM 534 CA ILE A 37 1.096 1.844 -0.606 1.00 0.00 C ATOM 535 C ILE A 37 0.877 1.055 -1.867 1.00 0.00 C ATOM 536 O ILE A 37 -0.237 0.604 -2.128 1.00 0.00 O ATOM 537 CB ILE A 37 0.698 1.074 0.652 1.00 0.00 C ATOM 538 CG1 ILE A 37 0.927 1.974 1.865 1.00 0.00 C ATOM 539 CG2 ILE A 37 1.357 -0.310 0.768 1.00 0.00 C ATOM 540 CD1 ILE A 37 2.264 2.704 2.016 1.00 0.00 C ATOM 0 H ILE A 37 -0.677 2.971 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 37 2.160 2.049 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.363 0.830 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.140 2.728 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.785 1.364 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.026 -0.795 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.072 -0.921 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.441 -0.196 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.254 3.296 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.073 1.975 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.419 3.361 1.160 1.00 0.00 H new ATOM 552 N ILE A 38 1.952 1.111 -2.646 1.00 0.00 N ATOM 553 CA ILE A 38 2.073 0.394 -3.924 1.00 0.00 C ATOM 554 C ILE A 38 2.051 -1.124 -3.686 1.00 0.00 C ATOM 555 O ILE A 38 3.076 -1.781 -3.647 1.00 0.00 O ATOM 556 CB ILE A 38 3.302 0.947 -4.657 1.00 0.00 C ATOM 557 CG1 ILE A 38 2.958 2.308 -5.261 1.00 0.00 C ATOM 558 CG2 ILE A 38 3.830 0.074 -5.788 1.00 0.00 C ATOM 559 CD1 ILE A 38 4.200 3.199 -5.259 1.00 0.00 C ATOM 0 H ILE A 38 2.778 1.661 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 38 1.222 0.563 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 38 4.083 0.996 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.590 2.183 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.159 2.780 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.698 0.552 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.118 -0.900 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.053 -0.056 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.953 4.169 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.548 3.335 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.986 2.729 -5.850 1.00 0.00 H new ATOM 571 N PHE A 39 0.849 -1.618 -3.403 1.00 0.00 N ATOM 572 CA PHE A 39 0.555 -3.047 -3.235 1.00 0.00 C ATOM 573 C PHE A 39 0.682 -3.786 -4.554 1.00 0.00 C ATOM 574 O PHE A 39 0.533 -3.215 -5.626 1.00 0.00 O ATOM 575 CB PHE A 39 -0.835 -3.272 -2.647 1.00 0.00 C ATOM 576 CG PHE A 39 -0.852 -3.015 -1.151 1.00 0.00 C ATOM 577 CD1 PHE A 39 -0.053 -3.838 -0.351 1.00 0.00 C ATOM 578 CD2 PHE A 39 -1.737 -2.079 -0.583 1.00 0.00 C ATOM 579 CE1 PHE A 39 -0.154 -3.767 1.047 1.00 0.00 C ATOM 580 CE2 PHE A 39 -1.822 -1.986 0.833 1.00 0.00 C ATOM 581 CZ PHE A 39 -1.045 -2.855 1.633 1.00 0.00 C ATOM 0 H PHE A 39 0.028 -1.025 -3.280 1.00 0.00 H new ATOM 0 HA PHE A 39 1.289 -3.444 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.551 -2.613 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.154 -4.295 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.641 -4.527 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.341 -1.442 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.451 -4.411 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.474 -1.258 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.138 -2.816 2.708 1.00 0.00 H new ATOM 591 N HIS A 40 1.015 -5.065 -4.451 1.00 0.00 N ATOM 592 CA HIS A 40 1.190 -5.932 -5.631 1.00 0.00 C ATOM 593 C HIS A 40 0.593 -7.277 -5.265 1.00 0.00 C ATOM 594 O HIS A 40 1.239 -8.165 -4.705 1.00 0.00 O ATOM 595 CB HIS A 40 2.677 -6.119 -5.959 1.00 0.00 C ATOM 596 CG HIS A 40 3.400 -4.801 -6.162 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.079 -3.869 -7.046 1.00 0.00 N ATOM 598 CD2 HIS A 40 4.473 -4.396 -5.494 1.00 0.00 C ATOM 599 CE1 HIS A 40 3.972 -2.898 -6.944 1.00 0.00 C ATOM 600 NE2 HIS A 40 4.812 -3.199 -5.960 1.00 0.00 N ATOM 0 H HIS A 40 1.173 -5.537 -3.561 1.00 0.00 H new ATOM 0 HA HIS A 40 0.709 -5.489 -6.503 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.157 -6.672 -5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.773 -6.724 -6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.980 -4.942 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.011 -2.010 -7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.579 -2.617 -5.623 1.00 0.00 H new ATOM 609 N THR A 41 -0.729 -7.269 -5.321 1.00 0.00 N ATOM 610 CA THR A 41 -1.512 -8.468 -4.986 1.00 0.00 C ATOM 611 C THR A 41 -1.144 -9.610 -5.963 1.00 0.00 C ATOM 612 O THR A 41 -0.248 -9.481 -6.802 1.00 0.00 O ATOM 613 CB THR A 41 -3.012 -8.142 -5.023 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.406 -8.204 -6.384 1.00 0.00 O ATOM 615 CG2 THR A 41 -3.381 -6.768 -4.441 1.00 0.00 C ATOM 0 H THR A 41 -1.287 -6.459 -5.591 1.00 0.00 H new ATOM 0 HA THR A 41 -1.275 -8.799 -3.975 1.00 0.00 H new ATOM 0 HB THR A 41 -3.531 -8.864 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.843 -7.603 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.459 -6.622 -4.508 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.073 -6.721 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.873 -5.986 -5.005 1.00 0.00 H new ATOM 623 N LYS A 42 -1.874 -10.704 -5.905 1.00 0.00 N ATOM 624 CA LYS A 42 -1.611 -11.847 -6.803 1.00 0.00 C ATOM 625 C LYS A 42 -2.624 -11.925 -7.974 1.00 0.00 C ATOM 626 O LYS A 42 -2.451 -12.691 -8.917 1.00 0.00 O ATOM 627 CB LYS A 42 -1.602 -13.142 -5.981 1.00 0.00 C ATOM 628 CG LYS A 42 -0.738 -14.224 -6.629 1.00 0.00 C ATOM 629 CD LYS A 42 0.499 -14.499 -5.782 1.00 0.00 C ATOM 630 CE LYS A 42 1.260 -15.767 -6.186 1.00 0.00 C ATOM 631 NZ LYS A 42 0.460 -16.953 -5.854 1.00 0.00 N ATOM 0 H LYS A 42 -2.650 -10.841 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.633 -11.704 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.230 -12.933 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.622 -13.510 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.318 -15.140 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.439 -13.908 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.173 -13.645 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.200 -14.584 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.474 -15.749 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.219 -15.807 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.059 -17.801 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.078 -16.856 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.325 -17.043 -6.531 1.00 0.00 H new ATOM 645 N LYS A 43 -3.650 -11.074 -7.903 1.00 0.00 N ATOM 646 CA LYS A 43 -4.688 -10.981 -8.949 1.00 0.00 C ATOM 647 C LYS A 43 -5.122 -9.523 -9.211 1.00 0.00 C ATOM 648 O LYS A 43 -6.246 -9.223 -9.609 1.00 0.00 O ATOM 649 CB LYS A 43 -5.886 -11.831 -8.525 1.00 0.00 C ATOM 650 CG LYS A 43 -6.604 -12.386 -9.758 1.00 0.00 C ATOM 651 CD LYS A 43 -8.111 -12.426 -9.543 1.00 0.00 C ATOM 652 CE LYS A 43 -8.762 -13.341 -10.573 1.00 0.00 C ATOM 653 NZ LYS A 43 -9.855 -12.649 -11.270 1.00 0.00 N ATOM 0 H LYS A 43 -3.790 -10.430 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.273 -11.355 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.552 -12.651 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.576 -11.230 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.374 -11.768 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.238 -13.389 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.333 -12.782 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.525 -11.421 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.016 -13.671 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.147 -14.234 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.284 -13.291 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.576 -12.355 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.480 -11.810 -11.757 1.00 0.00 H new ATOM 667 N ARG A 44 -4.193 -8.597 -8.973 1.00 0.00 N ATOM 668 CA ARG A 44 -4.423 -7.158 -9.152 1.00 0.00 C ATOM 669 C ARG A 44 -3.045 -6.499 -9.218 1.00 0.00 C ATOM 670 O ARG A 44 -2.190 -6.683 -8.359 1.00 0.00 O ATOM 671 CB ARG A 44 -5.213 -6.588 -7.974 1.00 0.00 C ATOM 672 CG ARG A 44 -6.343 -5.643 -8.363 1.00 0.00 C ATOM 673 CD ARG A 44 -7.124 -5.263 -7.105 1.00 0.00 C ATOM 674 NE ARG A 44 -8.534 -5.670 -7.265 1.00 0.00 N ATOM 675 CZ ARG A 44 -9.469 -5.035 -7.979 1.00 0.00 C ATOM 676 NH1 ARG A 44 -9.193 -3.926 -8.643 1.00 0.00 N ATOM 677 NH2 ARG A 44 -10.700 -5.531 -8.046 1.00 0.00 N ATOM 0 H ARG A 44 -3.253 -8.823 -8.648 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.000 -6.970 -10.058 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.631 -7.415 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.525 -6.058 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.940 -4.750 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.003 -6.122 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.690 -5.750 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.061 -4.188 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.824 -6.521 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.250 -3.537 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.923 -3.459 -9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.930 -6.394 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.415 -5.049 -8.590 1.00 0.00 H new ATOM 691 N LYS A 45 -2.856 -5.815 -10.338 1.00 0.00 N ATOM 692 CA LYS A 45 -1.629 -5.036 -10.580 1.00 0.00 C ATOM 693 C LYS A 45 -1.354 -4.077 -9.408 1.00 0.00 C ATOM 694 O LYS A 45 -2.120 -4.007 -8.440 1.00 0.00 O ATOM 695 CB LYS A 45 -1.729 -4.289 -11.920 1.00 0.00 C ATOM 696 CG LYS A 45 -2.786 -3.183 -12.014 1.00 0.00 C ATOM 697 CD LYS A 45 -4.137 -3.702 -12.520 1.00 0.00 C ATOM 698 CE LYS A 45 -5.017 -2.517 -12.901 1.00 0.00 C ATOM 699 NZ LYS A 45 -6.273 -3.002 -13.495 1.00 0.00 N ATOM 0 H LYS A 45 -3.533 -5.778 -11.100 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.782 -5.719 -10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.756 -3.849 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.931 -5.020 -12.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.920 -2.729 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.428 -2.399 -12.682 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.990 -4.354 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.623 -4.299 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.230 -1.912 -12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.493 -1.875 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.871 -2.191 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.061 -3.561 -14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.776 -3.597 -12.806 1.00 0.00 H new ATOM 713 N SER A 46 -0.279 -3.309 -9.537 1.00 0.00 N ATOM 714 CA SER A 46 0.094 -2.267 -8.545 1.00 0.00 C ATOM 715 C SER A 46 -1.129 -1.506 -8.025 1.00 0.00 C ATOM 716 O SER A 46 -1.982 -1.045 -8.779 1.00 0.00 O ATOM 717 CB SER A 46 1.081 -1.249 -9.116 1.00 0.00 C ATOM 718 OG SER A 46 1.323 -1.481 -10.502 1.00 0.00 O ATOM 0 H SER A 46 0.367 -3.378 -10.324 1.00 0.00 H new ATOM 0 HA SER A 46 0.566 -2.807 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.688 -0.242 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.021 -1.303 -8.567 1.00 0.00 H new ATOM 0 HG SER A 46 1.956 -0.814 -10.840 1.00 0.00 H new ATOM 724 N VAL A 47 -1.281 -1.607 -6.718 1.00 0.00 N ATOM 725 CA VAL A 47 -2.416 -1.007 -6.015 1.00 0.00 C ATOM 726 C VAL A 47 -1.878 0.168 -5.210 1.00 0.00 C ATOM 727 O VAL A 47 -0.890 0.049 -4.497 1.00 0.00 O ATOM 728 CB VAL A 47 -3.096 -2.106 -5.176 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.682 -1.639 -3.841 1.00 0.00 C ATOM 730 CG2 VAL A 47 -4.119 -2.864 -6.025 1.00 0.00 C ATOM 0 H VAL A 47 -0.629 -2.103 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.186 -0.614 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.300 -2.789 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.137 -2.486 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.888 -1.223 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.438 -0.876 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.592 -3.638 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.878 -2.170 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.616 -3.325 -6.875 1.00 0.00 H new ATOM 740 N CYS A 48 -2.618 1.252 -5.235 1.00 0.00 N ATOM 741 CA CYS A 48 -2.247 2.435 -4.444 1.00 0.00 C ATOM 742 C CYS A 48 -3.222 2.660 -3.288 1.00 0.00 C ATOM 743 O CYS A 48 -4.337 3.140 -3.446 1.00 0.00 O ATOM 744 CB CYS A 48 -2.094 3.684 -5.309 1.00 0.00 C ATOM 745 SG CYS A 48 -3.282 3.870 -6.689 1.00 0.00 S ATOM 0 H CYS A 48 -3.473 1.354 -5.782 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.267 2.235 -4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.180 4.559 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.086 3.691 -5.723 1.00 0.00 H new ATOM 750 N ALA A 49 -2.785 2.171 -2.131 1.00 0.00 N ATOM 751 CA ALA A 49 -3.619 2.217 -0.930 1.00 0.00 C ATOM 752 C ALA A 49 -3.039 3.154 0.117 1.00 0.00 C ATOM 753 O ALA A 49 -1.957 2.914 0.633 1.00 0.00 O ATOM 754 CB ALA A 49 -3.696 0.811 -0.367 1.00 0.00 C ATOM 0 H ALA A 49 -1.869 1.743 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.608 2.593 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.313 0.812 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.137 0.146 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.693 0.463 -0.118 1.00 0.00 H new ATOM 760 N ASP A 50 -3.786 4.200 0.459 1.00 0.00 N ATOM 761 CA ASP A 50 -3.297 5.187 1.442 1.00 0.00 C ATOM 762 C ASP A 50 -2.852 4.498 2.748 1.00 0.00 C ATOM 763 O ASP A 50 -3.658 3.739 3.293 1.00 0.00 O ATOM 764 CB ASP A 50 -4.395 6.201 1.749 1.00 0.00 C ATOM 765 CG ASP A 50 -3.847 7.624 1.660 1.00 0.00 C ATOM 766 OD1 ASP A 50 -4.253 8.328 0.723 1.00 0.00 O ATOM 767 OD2 ASP A 50 -3.033 7.944 2.546 1.00 0.00 O ATOM 0 H ASP A 50 -4.715 4.392 0.084 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.436 5.696 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.219 6.078 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.796 6.021 2.746 1.00 0.00 H new ATOM 773 N PRO A 51 -1.675 4.836 3.299 1.00 0.00 N ATOM 774 CA PRO A 51 -1.180 4.302 4.570 1.00 0.00 C ATOM 775 C PRO A 51 -1.956 4.807 5.797 1.00 0.00 C ATOM 776 O PRO A 51 -1.744 4.324 6.897 1.00 0.00 O ATOM 777 CB PRO A 51 0.312 4.666 4.640 1.00 0.00 C ATOM 778 CG PRO A 51 0.413 5.926 3.782 1.00 0.00 C ATOM 779 CD PRO A 51 -0.728 5.827 2.774 1.00 0.00 C ATOM 0 HA PRO A 51 -1.328 3.222 4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.632 4.852 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.939 3.864 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.320 6.824 4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.378 5.981 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.214 6.794 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.354 5.524 1.796 1.00 0.00 H new ATOM 787 N LYS A 52 -2.965 5.637 5.519 1.00 0.00 N ATOM 788 CA LYS A 52 -3.891 6.154 6.547 1.00 0.00 C ATOM 789 C LYS A 52 -4.785 5.037 7.096 1.00 0.00 C ATOM 790 O LYS A 52 -5.162 5.052 8.263 1.00 0.00 O ATOM 791 CB LYS A 52 -4.734 7.276 5.927 1.00 0.00 C ATOM 792 CG LYS A 52 -3.842 8.457 5.524 1.00 0.00 C ATOM 793 CD LYS A 52 -4.529 9.508 4.644 1.00 0.00 C ATOM 794 CE LYS A 52 -5.449 10.465 5.400 1.00 0.00 C ATOM 795 NZ LYS A 52 -6.799 9.918 5.498 1.00 0.00 N ATOM 0 H LYS A 52 -3.168 5.973 4.578 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.318 6.548 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.266 6.899 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.488 7.609 6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.476 8.943 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.971 8.072 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.764 10.090 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.110 8.997 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.052 10.646 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.478 11.428 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.468 10.557 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.829 8.984 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.063 9.823 6.499 1.00 0.00 H new ATOM 809 N GLN A 53 -5.100 4.071 6.237 1.00 0.00 N ATOM 810 CA GLN A 53 -5.871 2.879 6.631 1.00 0.00 C ATOM 811 C GLN A 53 -5.042 1.949 7.523 1.00 0.00 C ATOM 812 O GLN A 53 -3.819 2.022 7.577 1.00 0.00 O ATOM 813 CB GLN A 53 -6.357 2.152 5.380 1.00 0.00 C ATOM 814 CG GLN A 53 -7.434 2.961 4.650 1.00 0.00 C ATOM 815 CD GLN A 53 -7.403 2.647 3.157 1.00 0.00 C ATOM 816 OE1 GLN A 53 -8.273 2.012 2.577 1.00 0.00 O ATOM 817 NE2 GLN A 53 -6.340 3.058 2.512 1.00 0.00 N ATOM 0 H GLN A 53 -4.833 4.085 5.253 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.735 3.196 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.516 1.974 4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.756 1.176 5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.417 2.725 5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.270 4.027 4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.619 3.587 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.233 2.849 1.519 1.00 0.00 H new ATOM 826 N ASN A 54 -5.747 0.968 8.084 1.00 0.00 N ATOM 827 CA ASN A 54 -5.158 -0.040 8.979 1.00 0.00 C ATOM 828 C ASN A 54 -4.571 -1.218 8.210 1.00 0.00 C ATOM 829 O ASN A 54 -3.379 -1.459 8.295 1.00 0.00 O ATOM 830 CB ASN A 54 -6.181 -0.591 9.961 1.00 0.00 C ATOM 831 CG ASN A 54 -5.779 -0.223 11.381 1.00 0.00 C ATOM 832 OD1 ASN A 54 -5.027 -0.921 12.056 1.00 0.00 O ATOM 833 ND2 ASN A 54 -6.267 0.911 11.821 1.00 0.00 N ATOM 0 H ASN A 54 -6.748 0.845 7.933 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.365 0.479 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.169 -0.188 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.248 -1.674 9.861 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.025 1.242 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.889 1.462 11.230 1.00 0.00 H new ATOM 840 N TRP A 55 -5.393 -1.875 7.397 1.00 0.00 N ATOM 841 CA TRP A 55 -4.944 -3.006 6.542 1.00 0.00 C ATOM 842 C TRP A 55 -3.671 -2.670 5.757 1.00 0.00 C ATOM 843 O TRP A 55 -2.715 -3.440 5.706 1.00 0.00 O ATOM 844 CB TRP A 55 -6.092 -3.392 5.599 1.00 0.00 C ATOM 845 CG TRP A 55 -6.304 -2.408 4.437 1.00 0.00 C ATOM 846 CD1 TRP A 55 -7.012 -1.281 4.447 1.00 0.00 C ATOM 847 CD2 TRP A 55 -5.741 -2.528 3.174 1.00 0.00 C ATOM 848 NE1 TRP A 55 -6.935 -0.690 3.263 1.00 0.00 N ATOM 849 CE2 TRP A 55 -6.197 -1.425 2.438 1.00 0.00 C ATOM 850 CE3 TRP A 55 -4.958 -3.519 2.550 1.00 0.00 C ATOM 851 CZ2 TRP A 55 -5.896 -1.306 1.054 1.00 0.00 C ATOM 852 CZ3 TRP A 55 -4.704 -3.429 1.168 1.00 0.00 C ATOM 853 CH2 TRP A 55 -5.177 -2.339 0.422 1.00 0.00 C ATOM 0 H TRP A 55 -6.384 -1.653 7.301 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.690 -3.851 7.182 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.896 -4.383 5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.014 -3.462 6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.567 -0.904 5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.377 0.197 3.021 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.557 -4.340 3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.214 -0.437 0.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.139 -4.207 0.677 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.989 -2.292 -0.640 1.00 0.00 H new ATOM 864 N VAL A 56 -3.622 -1.405 5.358 1.00 0.00 N ATOM 865 CA VAL A 56 -2.473 -0.780 4.694 1.00 0.00 C ATOM 866 C VAL A 56 -1.300 -0.639 5.672 1.00 0.00 C ATOM 867 O VAL A 56 -0.235 -1.180 5.406 1.00 0.00 O ATOM 868 CB VAL A 56 -2.894 0.585 4.161 1.00 0.00 C ATOM 869 CG1 VAL A 56 -1.733 1.167 3.403 1.00 0.00 C ATOM 870 CG2 VAL A 56 -3.936 0.516 3.071 1.00 0.00 C ATOM 0 H VAL A 56 -4.402 -0.762 5.489 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.144 -1.407 3.866 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.250 1.135 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.009 2.146 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.878 1.272 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.469 0.506 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.186 1.525 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.544 -0.054 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.832 0.027 3.454 1.00 0.00 H new ATOM 880 N LYS A 57 -1.535 0.072 6.786 1.00 0.00 N ATOM 881 CA LYS A 57 -0.535 0.235 7.848 1.00 0.00 C ATOM 882 C LYS A 57 0.024 -1.125 8.275 1.00 0.00 C ATOM 883 O LYS A 57 1.219 -1.205 8.499 1.00 0.00 O ATOM 884 CB LYS A 57 -1.095 1.024 9.051 1.00 0.00 C ATOM 885 CG LYS A 57 -1.532 0.179 10.254 1.00 0.00 C ATOM 886 CD LYS A 57 -1.879 0.987 11.484 1.00 0.00 C ATOM 887 CE LYS A 57 -1.675 0.108 12.718 1.00 0.00 C ATOM 888 NZ LYS A 57 -1.804 0.980 13.892 1.00 0.00 N ATOM 0 H LYS A 57 -2.418 0.547 6.973 1.00 0.00 H new ATOM 0 HA LYS A 57 0.287 0.826 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.335 1.731 9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.949 1.610 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.398 -0.419 9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.732 -0.518 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.249 1.875 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.912 1.332 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.415 -0.692 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.694 -0.366 12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.671 0.419 14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.082 1.728 13.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.750 1.412 13.901 1.00 0.00 H new ATOM 902 N ARG A 58 -0.824 -2.154 8.349 1.00 0.00 N ATOM 903 CA ARG A 58 -0.450 -3.526 8.732 1.00 0.00 C ATOM 904 C ARG A 58 0.535 -4.113 7.737 1.00 0.00 C ATOM 905 O ARG A 58 1.674 -4.386 8.111 1.00 0.00 O ATOM 906 CB ARG A 58 -1.670 -4.441 8.781 1.00 0.00 C ATOM 907 CG ARG A 58 -2.458 -4.293 10.083 1.00 0.00 C ATOM 908 CD ARG A 58 -2.397 -5.635 10.806 1.00 0.00 C ATOM 909 NE ARG A 58 -3.660 -5.845 11.525 1.00 0.00 N ATOM 910 CZ ARG A 58 -3.978 -6.923 12.251 1.00 0.00 C ATOM 911 NH1 ARG A 58 -3.117 -7.926 12.417 1.00 0.00 N ATOM 912 NH2 ARG A 58 -5.161 -7.007 12.825 1.00 0.00 N ATOM 0 H ARG A 58 -1.818 -2.058 8.139 1.00 0.00 H new ATOM 0 HA ARG A 58 0.003 -3.465 9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.323 -4.217 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.349 -5.477 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.032 -3.503 10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.491 -4.014 9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.231 -6.441 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.559 -5.650 11.503 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.357 -5.103 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.193 -7.882 11.986 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.381 -8.738 12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.836 -6.250 12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.402 -7.829 13.378 1.00 0.00 H new ATOM 926 N ALA A 59 0.174 -4.127 6.462 1.00 0.00 N ATOM 927 CA ALA A 59 1.076 -4.625 5.423 1.00 0.00 C ATOM 928 C ALA A 59 2.400 -3.847 5.374 1.00 0.00 C ATOM 929 O ALA A 59 3.471 -4.430 5.538 1.00 0.00 O ATOM 930 CB ALA A 59 0.340 -4.567 4.109 1.00 0.00 C ATOM 0 H ALA A 59 -0.730 -3.802 6.119 1.00 0.00 H new ATOM 0 HA ALA A 59 1.358 -5.653 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.988 -4.933 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.553 -5.189 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.052 -3.537 3.898 1.00 0.00 H new ATOM 936 N VAL A 60 2.276 -2.530 5.534 1.00 0.00 N ATOM 937 CA VAL A 60 3.424 -1.620 5.671 1.00 0.00 C ATOM 938 C VAL A 60 4.204 -1.889 6.967 1.00 0.00 C ATOM 939 O VAL A 60 5.410 -1.774 6.991 1.00 0.00 O ATOM 940 CB VAL A 60 2.950 -0.170 5.578 1.00 0.00 C ATOM 941 CG1 VAL A 60 4.034 0.859 5.882 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.471 0.055 4.161 1.00 0.00 C ATOM 0 H VAL A 60 1.373 -2.057 5.573 1.00 0.00 H new ATOM 0 HA VAL A 60 4.117 -1.805 4.850 1.00 0.00 H new ATOM 0 HB VAL A 60 2.170 -0.031 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.618 1.863 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.406 0.707 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.854 0.744 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.123 1.082 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.292 -0.125 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.653 -0.630 3.940 1.00 0.00 H new ATOM 952 N ASN A 61 3.520 -2.269 8.026 1.00 0.00 N ATOM 953 CA ASN A 61 4.109 -2.532 9.344 1.00 0.00 C ATOM 954 C ASN A 61 5.151 -3.650 9.257 1.00 0.00 C ATOM 955 O ASN A 61 6.315 -3.453 9.587 1.00 0.00 O ATOM 956 CB ASN A 61 3.010 -2.943 10.320 1.00 0.00 C ATOM 957 CG ASN A 61 3.470 -2.988 11.771 1.00 0.00 C ATOM 958 OD1 ASN A 61 4.426 -2.339 12.176 1.00 0.00 O ATOM 959 ND2 ASN A 61 2.790 -3.776 12.570 1.00 0.00 N ATOM 0 H ASN A 61 2.510 -2.410 8.004 1.00 0.00 H new ATOM 0 HA ASN A 61 4.598 -1.623 9.694 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.178 -2.244 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.632 -3.925 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.054 -3.858 13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.997 -4.307 12.209 1.00 0.00 H new ATOM 966 N LEU A 62 4.744 -4.759 8.635 1.00 0.00 N ATOM 967 CA LEU A 62 5.677 -5.875 8.383 1.00 0.00 C ATOM 968 C LEU A 62 6.845 -5.449 7.482 1.00 0.00 C ATOM 969 O LEU A 62 8.003 -5.725 7.805 1.00 0.00 O ATOM 970 CB LEU A 62 4.965 -7.109 7.800 1.00 0.00 C ATOM 971 CG LEU A 62 3.793 -7.692 8.627 1.00 0.00 C ATOM 972 CD1 LEU A 62 3.909 -7.509 10.148 1.00 0.00 C ATOM 973 CD2 LEU A 62 2.465 -7.148 8.122 1.00 0.00 C ATOM 0 H LEU A 62 3.793 -4.914 8.299 1.00 0.00 H new ATOM 0 HA LEU A 62 6.085 -6.158 9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.587 -6.848 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.707 -7.895 7.660 1.00 0.00 H new ATOM 0 HG LEU A 62 3.844 -8.769 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.040 -7.951 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.814 -8.000 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.955 -6.446 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.651 -7.567 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.458 -6.062 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.333 -7.424 7.076 1.00 0.00 H new ATOM 985 N LEU A 63 6.542 -4.579 6.517 1.00 0.00 N ATOM 986 CA LEU A 63 7.569 -3.919 5.693 1.00 0.00 C ATOM 987 C LEU A 63 8.469 -2.985 6.511 1.00 0.00 C ATOM 988 O LEU A 63 9.622 -2.829 6.177 1.00 0.00 O ATOM 989 CB LEU A 63 6.933 -3.166 4.519 1.00 0.00 C ATOM 990 CG LEU A 63 7.599 -1.881 3.981 1.00 0.00 C ATOM 991 CD1 LEU A 63 7.352 -1.696 2.493 1.00 0.00 C ATOM 992 CD2 LEU A 63 7.087 -0.666 4.739 1.00 0.00 C ATOM 0 H LEU A 63 5.587 -4.310 6.282 1.00 0.00 H new ATOM 0 HA LEU A 63 8.206 -4.710 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.857 -3.866 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.916 -2.907 4.812 1.00 0.00 H new ATOM 0 HG LEU A 63 8.673 -1.983 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.837 -0.781 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.761 -2.547 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.280 -1.628 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.564 0.233 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.007 -0.587 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.322 -0.772 5.798 1.00 0.00 H new ATOM 1004 N SER A 64 7.898 -2.319 7.504 1.00 0.00 N ATOM 1005 CA SER A 64 8.612 -1.345 8.350 1.00 0.00 C ATOM 1006 C SER A 64 9.757 -2.053 9.067 1.00 0.00 C ATOM 1007 O SER A 64 10.890 -1.700 8.812 1.00 0.00 O ATOM 1008 CB SER A 64 7.649 -0.715 9.358 1.00 0.00 C ATOM 1009 OG SER A 64 8.270 0.390 10.001 1.00 0.00 O ATOM 0 H SER A 64 6.916 -2.433 7.756 1.00 0.00 H new ATOM 0 HA SER A 64 9.018 -0.547 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.742 -0.388 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.350 -1.456 10.099 1.00 0.00 H new ATOM 0 HG SER A 64 7.646 0.788 10.643 1.00 0.00 H new ATOM 1015 N LEU A 65 9.488 -3.252 9.560 1.00 0.00 N ATOM 1016 CA LEU A 65 10.559 -4.106 10.119 1.00 0.00 C ATOM 1017 C LEU A 65 11.487 -4.703 9.045 1.00 0.00 C ATOM 1018 O LEU A 65 12.656 -4.989 9.302 1.00 0.00 O ATOM 1019 CB LEU A 65 9.966 -5.199 11.008 1.00 0.00 C ATOM 1020 CG LEU A 65 9.326 -4.599 12.276 1.00 0.00 C ATOM 1021 CD1 LEU A 65 8.425 -5.642 12.936 1.00 0.00 C ATOM 1022 CD2 LEU A 65 10.380 -4.080 13.254 1.00 0.00 C ATOM 0 H LEU A 65 8.555 -3.664 9.591 1.00 0.00 H new ATOM 0 HA LEU A 65 11.188 -3.457 10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.216 -5.759 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.747 -5.905 11.291 1.00 0.00 H new ATOM 0 HG LEU A 65 8.722 -3.740 11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.973 -5.217 13.832 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.641 -5.938 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.018 -6.515 13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.887 -3.666 14.134 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.032 -4.900 13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.974 -3.304 12.771 1.00 0.00 H new ATOM 1034 N ARG A 66 10.955 -4.851 7.835 1.00 0.00 N ATOM 1035 CA ARG A 66 11.696 -5.378 6.671 1.00 0.00 C ATOM 1036 C ARG A 66 12.666 -4.323 6.098 1.00 0.00 C ATOM 1037 O ARG A 66 13.875 -4.497 6.145 1.00 0.00 O ATOM 1038 CB ARG A 66 10.705 -5.882 5.616 1.00 0.00 C ATOM 1039 CG ARG A 66 11.162 -7.201 4.998 1.00 0.00 C ATOM 1040 CD ARG A 66 12.495 -7.036 4.258 1.00 0.00 C ATOM 1041 NE ARG A 66 13.101 -8.355 4.019 1.00 0.00 N ATOM 1042 CZ ARG A 66 14.219 -8.564 3.323 1.00 0.00 C ATOM 1043 NH1 ARG A 66 14.895 -7.554 2.780 1.00 0.00 N ATOM 1044 NH2 ARG A 66 14.668 -9.796 3.154 1.00 0.00 N ATOM 0 H ARG A 66 9.987 -4.608 7.623 1.00 0.00 H new ATOM 0 HA ARG A 66 12.310 -6.219 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.724 -6.014 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.594 -5.132 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.268 -7.954 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.402 -7.564 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.334 -6.523 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.172 -6.416 4.845 1.00 0.00 H new ATOM 0 HE ARG A 66 12.631 -9.169 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.560 -6.597 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.748 -7.737 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.159 -10.584 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.523 -9.959 2.622 1.00 0.00 H new ATOM 1058 N VAL A 67 12.117 -3.217 5.605 1.00 0.00 N ATOM 1059 CA VAL A 67 12.859 -2.066 5.032 1.00 0.00 C ATOM 1060 C VAL A 67 13.250 -1.094 6.171 1.00 0.00 C ATOM 1061 O VAL A 67 13.177 0.130 6.039 1.00 0.00 O ATOM 1062 CB VAL A 67 12.022 -1.401 3.910 1.00 0.00 C ATOM 1063 CG1 VAL A 67 12.719 -0.226 3.226 1.00 0.00 C ATOM 1064 CG2 VAL A 67 11.691 -2.405 2.801 1.00 0.00 C ATOM 0 H VAL A 67 11.107 -3.079 5.586 1.00 0.00 H new ATOM 0 HA VAL A 67 13.786 -2.398 4.564 1.00 0.00 H new ATOM 0 HB VAL A 67 11.130 -1.040 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.068 0.184 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.938 0.546 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.649 -0.569 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.103 -1.912 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.616 -2.786 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.118 -3.233 3.219 1.00 0.00 H new ATOM 1074 N LYS A 68 13.676 -1.657 7.296 1.00 0.00 N ATOM 1075 CA LYS A 68 14.160 -0.892 8.468 1.00 0.00 C ATOM 1076 C LYS A 68 14.616 -1.863 9.560 1.00 0.00 C ATOM 1077 O LYS A 68 13.930 -2.169 10.537 1.00 0.00 O ATOM 1078 CB LYS A 68 13.085 0.057 9.015 1.00 0.00 C ATOM 1079 CG LYS A 68 13.598 1.467 9.261 1.00 0.00 C ATOM 1080 CD LYS A 68 13.181 1.829 10.674 1.00 0.00 C ATOM 1081 CE LYS A 68 14.337 2.570 11.341 1.00 0.00 C ATOM 1082 NZ LYS A 68 14.421 2.132 12.735 1.00 0.00 N ATOM 0 H LYS A 68 13.700 -2.667 7.434 1.00 0.00 H new ATOM 0 HA LYS A 68 15.001 -0.278 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.254 0.098 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.693 -0.348 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.682 1.512 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.176 2.166 8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.288 2.454 10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.931 0.930 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.272 2.362 10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.177 3.647 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.204 2.627 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.529 2.351 13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.590 1.106 12.767 1.00 0.00 H new ATOM 1096 N LYS A 69 15.823 -2.363 9.336 1.00 0.00 N ATOM 1097 CA LYS A 69 16.467 -3.260 10.296 1.00 0.00 C ATOM 1098 C LYS A 69 17.205 -2.421 11.344 1.00 0.00 C ATOM 1099 O LYS A 69 17.666 -1.303 11.081 1.00 0.00 O ATOM 1100 CB LYS A 69 17.422 -4.222 9.567 1.00 0.00 C ATOM 1101 CG LYS A 69 17.586 -5.502 10.384 1.00 0.00 C ATOM 1102 CD LYS A 69 19.041 -5.985 10.370 1.00 0.00 C ATOM 1103 CE LYS A 69 19.294 -7.057 11.440 1.00 0.00 C ATOM 1104 NZ LYS A 69 18.903 -8.396 10.970 1.00 0.00 N ATOM 0 H LYS A 69 16.377 -2.166 8.503 1.00 0.00 H new ATOM 0 HA LYS A 69 15.716 -3.867 10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.030 -4.458 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.391 -3.746 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.269 -5.324 11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.938 -6.280 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.281 -6.389 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.707 -5.139 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.350 -7.060 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.735 -6.810 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.088 -9.094 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.890 -8.400 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.455 -8.642 10.123 1.00 0.00 H new ATOM 1118 N MET A 70 17.325 -2.990 12.539 1.00 0.00 N ATOM 1119 CA MET A 70 18.037 -2.338 13.665 1.00 0.00 C ATOM 1120 C MET A 70 19.530 -2.109 13.377 1.00 0.00 C ATOM 1121 O MET A 70 20.190 -3.094 12.959 1.00 0.00 O ATOM 1122 CB MET A 70 17.860 -3.200 14.916 1.00 0.00 C ATOM 1123 CG MET A 70 17.041 -2.456 15.977 1.00 0.00 C ATOM 1124 SD MET A 70 16.687 -3.506 17.430 1.00 0.00 S ATOM 1125 CE MET A 70 17.510 -2.575 18.705 1.00 0.00 C ATOM 1126 OXT MET A 70 19.977 -0.963 13.569 1.00 0.00 O ATOM 0 H MET A 70 16.940 -3.907 12.767 1.00 0.00 H new ATOM 0 HA MET A 70 17.603 -1.349 13.814 1.00 0.00 H new ATOM 0 HB2 MET A 70 17.361 -4.133 14.653 1.00 0.00 H new ATOM 0 HB3 MET A 70 18.836 -3.464 15.323 1.00 0.00 H new ATOM 0 HG2 MET A 70 17.584 -1.567 16.296 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.103 -2.116 15.538 1.00 0.00 H new ATOM 0 HE1 MET A 70 17.389 -3.083 19.662 1.00 0.00 H new ATOM 0 HE2 MET A 70 18.571 -2.494 18.469 1.00 0.00 H new ATOM 0 HE3 MET A 70 17.074 -1.578 18.766 1.00 0.00 H new TER 1136 MET A 70