USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ -126:sc= 0.464 (180deg=-1.88!) USER MOD Single : A 6 THR OG1 : rot 115:sc= 0.882 USER MOD Single : A 10 THR OG1 : rot 150:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -4.36! (180deg=-5.35!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.017) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.303 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.292) USER MOD Single : A 24 THR OG1 : rot -84:sc= -2.56! USER MOD Single : A 31 SER OG : rot 180:sc= 0.38 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 47 THR OG1 : rot 66:sc= 1.02 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.054) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -59:sc= -0.183 USER MOD Single : A 61 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.073) USER MOD Single : A 63 ASN :FLIP amide:sc= -2.47! C(o=-3.5!,f=-2.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= 0.652 (180deg=0.223) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS :FLIP no HD1:sc= -0.458 F(o=-1.5,f=-0.46) USER MOD Single : B 189 TYR OH : rot -50:sc= -1.91 USER MOD Single : B 190 TYR OH : rot 60:sc= -0.436 USER MOD Single : B 191 THR OG1 : rot -87:sc= -0.251! USER MOD Single : B 196 THR OG1 : rot 180:sc= -2.17! USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 6.615 10.644 6.593 1.00 0.00 N ATOM 2 CA ILE A 1 5.205 10.204 6.419 1.00 0.00 C ATOM 3 C ILE A 1 4.617 10.745 5.120 1.00 0.00 C ATOM 4 O ILE A 1 5.136 11.701 4.544 1.00 0.00 O ATOM 5 CB ILE A 1 4.321 10.672 7.593 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.995 10.360 8.932 1.00 0.00 C ATOM 7 CG2 ILE A 1 2.948 10.018 7.520 1.00 0.00 C ATOM 8 CD1 ILE A 1 5.096 11.560 9.848 1.00 0.00 C ATOM 0 H1 ILE A 1 7.221 9.814 6.751 1.00 0.00 H new ATOM 0 H2 ILE A 1 6.930 11.145 5.738 1.00 0.00 H new ATOM 0 H3 ILE A 1 6.681 11.281 7.412 1.00 0.00 H new ATOM 0 HA ILE A 1 5.217 9.114 6.389 1.00 0.00 H new ATOM 0 HB ILE A 1 4.192 11.752 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 1 4.435 9.573 9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 1 5.995 9.970 8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 1 2.337 10.359 8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 1 2.464 10.291 6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.058 8.935 7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 1 5.583 11.268 10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 1 5.681 12.341 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 1 4.097 11.937 10.065 1.00 0.00 H new ATOM 22 N ARG A 2 3.530 10.127 4.668 1.00 0.00 N ATOM 23 CA ARG A 2 2.859 10.542 3.440 1.00 0.00 C ATOM 24 C ARG A 2 3.671 10.156 2.208 1.00 0.00 C ATOM 25 O ARG A 2 3.737 10.911 1.238 1.00 0.00 O ATOM 26 CB ARG A 2 2.607 12.053 3.444 1.00 0.00 C ATOM 27 CG ARG A 2 1.989 12.567 4.734 1.00 0.00 C ATOM 28 CD ARG A 2 1.321 13.918 4.530 1.00 0.00 C ATOM 29 NE ARG A 2 0.451 14.274 5.648 1.00 0.00 N ATOM 30 CZ ARG A 2 0.881 14.835 6.776 1.00 0.00 C ATOM 31 NH1 ARG A 2 2.169 15.109 6.942 1.00 0.00 N ATOM 32 NH2 ARG A 2 0.020 15.124 7.742 1.00 0.00 N ATOM 0 H ARG A 2 3.093 9.333 5.136 1.00 0.00 H new ATOM 0 HA ARG A 2 1.902 10.023 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.551 12.570 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.950 12.305 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.255 11.848 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.760 12.653 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.085 14.685 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.738 13.899 3.609 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.547 14.081 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.836 14.890 6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.491 15.539 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.971 14.916 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.349 15.554 8.607 1.00 0.00 H new ATOM 46 N CYS A 3 4.279 8.973 2.242 1.00 0.00 N ATOM 47 CA CYS A 3 5.069 8.502 1.112 1.00 0.00 C ATOM 48 C CYS A 3 4.188 8.388 -0.130 1.00 0.00 C ATOM 49 O CYS A 3 4.169 9.287 -0.964 1.00 0.00 O ATOM 50 CB CYS A 3 5.720 7.152 1.428 1.00 0.00 C ATOM 51 SG CYS A 3 7.193 7.261 2.500 1.00 0.00 S ATOM 0 H CYS A 3 4.240 8.330 3.032 1.00 0.00 H new ATOM 0 HA CYS A 3 5.862 9.225 0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.982 6.510 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.001 6.669 0.492 1.00 0.00 H new ATOM 56 N PHE A 4 3.443 7.289 -0.233 1.00 0.00 N ATOM 57 CA PHE A 4 2.541 7.068 -1.364 1.00 0.00 C ATOM 58 C PHE A 4 1.386 6.153 -0.972 1.00 0.00 C ATOM 59 O PHE A 4 0.298 6.612 -0.623 1.00 0.00 O ATOM 60 CB PHE A 4 3.263 6.461 -2.588 1.00 0.00 C ATOM 61 CG PHE A 4 4.621 5.854 -2.315 1.00 0.00 C ATOM 62 CD1 PHE A 4 4.891 5.215 -1.119 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.625 5.916 -3.273 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.127 4.654 -0.880 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.866 5.357 -3.038 1.00 0.00 C ATOM 66 CZ PHE A 4 7.117 4.725 -1.840 1.00 0.00 C ATOM 0 H PHE A 4 3.446 6.535 0.454 1.00 0.00 H new ATOM 0 HA PHE A 4 2.160 8.051 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.622 5.692 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.379 7.240 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.123 5.155 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.433 6.408 -4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.322 4.158 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.638 5.415 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.086 4.286 -1.652 1.00 0.00 H new ATOM 76 N ILE A 5 1.634 4.853 -1.059 1.00 0.00 N ATOM 77 CA ILE A 5 0.618 3.847 -0.741 1.00 0.00 C ATOM 78 C ILE A 5 0.274 3.819 0.749 1.00 0.00 C ATOM 79 O ILE A 5 0.639 4.722 1.501 1.00 0.00 O ATOM 80 CB ILE A 5 1.050 2.430 -1.193 1.00 0.00 C ATOM 81 CG1 ILE A 5 2.106 1.828 -0.247 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.565 2.459 -2.623 1.00 0.00 C ATOM 83 CD1 ILE A 5 3.140 2.815 0.259 1.00 0.00 C ATOM 0 H ILE A 5 2.532 4.465 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.273 4.141 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 5 0.170 1.789 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.597 1.385 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.620 1.019 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.864 1.454 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.777 2.816 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.424 3.127 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.841 2.302 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.681 3.241 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.642 3.613 0.810 1.00 0.00 H new ATOM 95 N THR A 6 -0.434 2.768 1.160 1.00 0.00 N ATOM 96 CA THR A 6 -0.840 2.601 2.549 1.00 0.00 C ATOM 97 C THR A 6 -0.656 1.148 2.990 1.00 0.00 C ATOM 98 O THR A 6 -0.589 0.245 2.156 1.00 0.00 O ATOM 99 CB THR A 6 -2.302 3.015 2.715 1.00 0.00 C ATOM 100 OG1 THR A 6 -3.129 2.295 1.817 1.00 0.00 O ATOM 101 CG2 THR A 6 -2.537 4.489 2.469 1.00 0.00 C ATOM 0 H THR A 6 -0.739 2.015 0.543 1.00 0.00 H new ATOM 0 HA THR A 6 -0.213 3.236 3.175 1.00 0.00 H new ATOM 0 HB THR A 6 -2.551 2.791 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.736 1.716 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.595 4.716 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.948 5.074 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.238 4.740 1.451 1.00 0.00 H new ATOM 109 N PRO A 7 -0.574 0.900 4.310 1.00 0.00 N ATOM 110 CA PRO A 7 -0.399 -0.454 4.849 1.00 0.00 C ATOM 111 C PRO A 7 -1.481 -1.415 4.359 1.00 0.00 C ATOM 112 O PRO A 7 -1.245 -2.221 3.459 1.00 0.00 O ATOM 113 CB PRO A 7 -0.490 -0.261 6.371 1.00 0.00 C ATOM 114 CG PRO A 7 -1.081 1.095 6.564 1.00 0.00 C ATOM 115 CD PRO A 7 -0.646 1.906 5.379 1.00 0.00 C ATOM 0 HA PRO A 7 0.543 -0.899 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.113 -1.030 6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.494 -0.331 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.168 1.042 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.732 1.544 7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.360 2.696 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.317 2.387 5.549 1.00 0.00 H new ATOM 123 N ASP A 8 -2.670 -1.322 4.950 1.00 0.00 N ATOM 124 CA ASP A 8 -3.787 -2.180 4.565 1.00 0.00 C ATOM 125 C ASP A 8 -4.900 -1.353 3.933 1.00 0.00 C ATOM 126 O ASP A 8 -5.267 -1.562 2.777 1.00 0.00 O ATOM 127 CB ASP A 8 -4.323 -2.935 5.783 1.00 0.00 C ATOM 128 CG ASP A 8 -3.226 -3.636 6.559 1.00 0.00 C ATOM 129 OD1 ASP A 8 -2.361 -2.937 7.127 1.00 0.00 O ATOM 130 OD2 ASP A 8 -3.232 -4.885 6.599 1.00 0.00 O ATOM 0 H ASP A 8 -2.884 -0.661 5.697 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.428 -2.903 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.840 -2.237 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.059 -3.670 5.456 1.00 0.00 H new ATOM 135 N ILE A 9 -5.419 -0.402 4.698 1.00 0.00 N ATOM 136 CA ILE A 9 -6.478 0.479 4.222 1.00 0.00 C ATOM 137 C ILE A 9 -5.865 1.713 3.568 1.00 0.00 C ATOM 138 O ILE A 9 -4.663 1.947 3.687 1.00 0.00 O ATOM 139 CB ILE A 9 -7.390 0.951 5.372 1.00 0.00 C ATOM 140 CG1 ILE A 9 -7.586 -0.161 6.407 1.00 0.00 C ATOM 141 CG2 ILE A 9 -8.731 1.412 4.821 1.00 0.00 C ATOM 142 CD1 ILE A 9 -8.059 0.340 7.753 1.00 0.00 C ATOM 0 H ILE A 9 -5.122 -0.220 5.657 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.074 -0.088 3.507 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.908 1.792 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.309 -0.880 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.644 -0.694 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.367 1.743 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.575 2.238 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.213 0.586 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.176 -0.503 8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.326 1.037 8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.017 0.848 7.636 1.00 0.00 H new ATOM 154 N THR A 10 -6.684 2.510 2.894 1.00 0.00 N ATOM 155 CA THR A 10 -6.196 3.721 2.248 1.00 0.00 C ATOM 156 C THR A 10 -6.463 4.946 3.120 1.00 0.00 C ATOM 157 O THR A 10 -6.773 4.818 4.304 1.00 0.00 O ATOM 158 CB THR A 10 -6.849 3.899 0.879 1.00 0.00 C ATOM 159 OG1 THR A 10 -7.348 2.663 0.396 1.00 0.00 O ATOM 160 CG2 THR A 10 -5.897 4.449 -0.158 1.00 0.00 C ATOM 0 H THR A 10 -7.684 2.341 2.781 1.00 0.00 H new ATOM 0 HA THR A 10 -5.119 3.621 2.112 1.00 0.00 H new ATOM 0 HB THR A 10 -7.658 4.615 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.129 2.826 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.417 4.554 -1.110 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.531 5.424 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.055 3.767 -0.278 1.00 0.00 H new ATOM 168 N SER A 11 -6.336 6.133 2.528 1.00 0.00 N ATOM 169 CA SER A 11 -6.559 7.388 3.245 1.00 0.00 C ATOM 170 C SER A 11 -5.348 7.751 4.101 1.00 0.00 C ATOM 171 O SER A 11 -4.751 8.813 3.928 1.00 0.00 O ATOM 172 CB SER A 11 -7.813 7.301 4.121 1.00 0.00 C ATOM 173 OG SER A 11 -8.577 8.491 4.038 1.00 0.00 O ATOM 0 H SER A 11 -6.078 6.252 1.548 1.00 0.00 H new ATOM 0 HA SER A 11 -6.706 8.172 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.421 6.452 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.525 7.122 5.157 1.00 0.00 H new ATOM 0 HG SER A 11 -9.372 8.409 4.605 1.00 0.00 H new ATOM 179 N LYS A 12 -4.991 6.864 5.025 1.00 0.00 N ATOM 180 CA LYS A 12 -3.850 7.095 5.906 1.00 0.00 C ATOM 181 C LYS A 12 -2.537 6.841 5.168 1.00 0.00 C ATOM 182 O LYS A 12 -2.508 6.778 3.939 1.00 0.00 O ATOM 183 CB LYS A 12 -3.934 6.197 7.146 1.00 0.00 C ATOM 184 CG LYS A 12 -5.356 5.902 7.603 1.00 0.00 C ATOM 185 CD LYS A 12 -5.732 4.450 7.350 1.00 0.00 C ATOM 186 CE LYS A 12 -6.939 4.031 8.174 1.00 0.00 C ATOM 187 NZ LYS A 12 -6.684 2.775 8.932 1.00 0.00 N ATOM 0 H LYS A 12 -5.474 5.980 5.183 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.877 8.137 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.429 5.255 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.392 6.673 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.451 6.124 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.052 6.556 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.947 4.309 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.885 3.807 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.198 4.829 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.797 3.890 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.590 2.341 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.146 2.114 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.138 2.992 9.790 1.00 0.00 H new ATOM 201 N ASP A 13 -1.454 6.694 5.925 1.00 0.00 N ATOM 202 CA ASP A 13 -0.141 6.443 5.343 1.00 0.00 C ATOM 203 C ASP A 13 0.791 5.804 6.369 1.00 0.00 C ATOM 204 O ASP A 13 1.899 6.287 6.601 1.00 0.00 O ATOM 205 CB ASP A 13 0.468 7.745 4.817 1.00 0.00 C ATOM 206 CG ASP A 13 1.215 7.549 3.513 1.00 0.00 C ATOM 207 OD1 ASP A 13 2.371 7.076 3.556 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.646 7.868 2.448 1.00 0.00 O ATOM 0 H ASP A 13 -1.460 6.745 6.944 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.265 5.751 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.323 8.480 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.149 8.152 5.565 1.00 0.00 H new ATOM 213 N CYS A 14 0.327 4.716 6.980 1.00 0.00 N ATOM 214 CA CYS A 14 1.103 3.996 7.987 1.00 0.00 C ATOM 215 C CYS A 14 1.574 4.933 9.102 1.00 0.00 C ATOM 216 O CYS A 14 1.492 6.155 8.976 1.00 0.00 O ATOM 217 CB CYS A 14 2.294 3.276 7.331 1.00 0.00 C ATOM 218 SG CYS A 14 3.842 4.241 7.251 1.00 0.00 S ATOM 0 H CYS A 14 -0.590 4.311 6.793 1.00 0.00 H new ATOM 0 HA CYS A 14 0.455 3.247 8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.488 2.355 7.880 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.011 2.990 6.318 1.00 0.00 H new ATOM 223 N PRO A 15 2.070 4.370 10.218 1.00 0.00 N ATOM 224 CA PRO A 15 2.546 5.156 11.353 1.00 0.00 C ATOM 225 C PRO A 15 3.991 5.614 11.178 1.00 0.00 C ATOM 226 O PRO A 15 4.326 6.765 11.459 1.00 0.00 O ATOM 227 CB PRO A 15 2.432 4.171 12.511 1.00 0.00 C ATOM 228 CG PRO A 15 2.678 2.835 11.894 1.00 0.00 C ATOM 229 CD PRO A 15 2.199 2.920 10.464 1.00 0.00 C ATOM 0 HA PRO A 15 1.978 6.076 11.491 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.163 4.389 13.290 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.447 4.218 12.976 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.737 2.581 11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.143 2.055 12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.909 2.460 9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.247 2.406 10.330 1.00 0.00 H new ATOM 237 N ASN A 16 4.841 4.705 10.711 1.00 0.00 N ATOM 238 CA ASN A 16 6.250 5.012 10.498 1.00 0.00 C ATOM 239 C ASN A 16 6.534 5.249 9.018 1.00 0.00 C ATOM 240 O ASN A 16 6.594 4.306 8.230 1.00 0.00 O ATOM 241 CB ASN A 16 7.123 3.871 11.020 1.00 0.00 C ATOM 242 CG ASN A 16 8.548 4.311 11.294 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.434 4.142 10.457 1.00 0.00 O ATOM 244 ND2 ASN A 16 8.776 4.881 12.472 1.00 0.00 N ATOM 0 H ASN A 16 4.578 3.749 10.473 1.00 0.00 H new ATOM 0 HA ASN A 16 6.488 5.923 11.047 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.686 3.473 11.936 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.130 3.060 10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.715 5.198 12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.012 5.002 13.137 1.00 0.00 H new ATOM 251 N GLY A 17 6.706 6.513 8.647 1.00 0.00 N ATOM 252 CA GLY A 17 6.979 6.848 7.261 1.00 0.00 C ATOM 253 C GLY A 17 8.332 7.507 7.076 1.00 0.00 C ATOM 254 O GLY A 17 8.451 8.502 6.361 1.00 0.00 O ATOM 0 H GLY A 17 6.661 7.311 9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.935 5.942 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.200 7.516 6.892 1.00 0.00 H new ATOM 258 N HIS A 18 9.353 6.951 7.718 1.00 0.00 N ATOM 259 CA HIS A 18 10.704 7.491 7.617 1.00 0.00 C ATOM 260 C HIS A 18 11.214 7.403 6.182 1.00 0.00 C ATOM 261 O HIS A 18 11.475 8.422 5.542 1.00 0.00 O ATOM 262 CB HIS A 18 11.648 6.738 8.554 1.00 0.00 C ATOM 263 CG HIS A 18 12.864 7.523 8.937 1.00 0.00 C ATOM 264 ND1 HIS A 18 13.914 6.985 9.651 1.00 0.00 N ATOM 265 CD2 HIS A 18 13.195 8.815 8.700 1.00 0.00 C ATOM 266 CE1 HIS A 18 14.838 7.911 9.838 1.00 0.00 C ATOM 267 NE2 HIS A 18 14.426 9.031 9.270 1.00 0.00 N ATOM 0 H HIS A 18 9.271 6.127 8.314 1.00 0.00 H new ATOM 0 HA HIS A 18 10.675 8.540 7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.105 6.461 9.458 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.961 5.811 8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 18 12.602 9.540 8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 18 15.771 7.776 10.365 1.00 0.00 H new ATOM 0 HE2 HIS A 18 14.939 9.913 9.257 1.00 0.00 H new ATOM 276 N VAL A 19 11.348 6.179 5.683 1.00 0.00 N ATOM 277 CA VAL A 19 11.823 5.955 4.322 1.00 0.00 C ATOM 278 C VAL A 19 10.769 5.239 3.495 1.00 0.00 C ATOM 279 O VAL A 19 10.088 4.337 3.984 1.00 0.00 O ATOM 280 CB VAL A 19 13.128 5.128 4.288 1.00 0.00 C ATOM 281 CG1 VAL A 19 14.047 5.636 3.187 1.00 0.00 C ATOM 282 CG2 VAL A 19 13.828 5.179 5.638 1.00 0.00 C ATOM 0 H VAL A 19 11.134 5.326 6.201 1.00 0.00 H new ATOM 0 HA VAL A 19 12.025 6.939 3.899 1.00 0.00 H new ATOM 0 HB VAL A 19 12.875 4.089 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.962 5.044 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.545 5.547 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.294 6.681 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.745 4.591 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.071 6.213 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.170 4.770 6.405 1.00 0.00 H new ATOM 292 N CYS A 20 10.645 5.639 2.239 1.00 0.00 N ATOM 293 CA CYS A 20 9.681 5.025 1.344 1.00 0.00 C ATOM 294 C CYS A 20 10.359 3.925 0.537 1.00 0.00 C ATOM 295 O CYS A 20 11.248 4.199 -0.272 1.00 0.00 O ATOM 296 CB CYS A 20 9.071 6.077 0.414 1.00 0.00 C ATOM 297 SG CYS A 20 8.712 7.677 1.216 1.00 0.00 S ATOM 0 H CYS A 20 11.199 6.385 1.818 1.00 0.00 H new ATOM 0 HA CYS A 20 8.876 4.586 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.753 6.247 -0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.147 5.680 -0.007 1.00 0.00 H new ATOM 302 N TYR A 21 9.965 2.675 0.773 1.00 0.00 N ATOM 303 CA TYR A 21 10.580 1.558 0.065 1.00 0.00 C ATOM 304 C TYR A 21 9.562 0.584 -0.513 1.00 0.00 C ATOM 305 O TYR A 21 8.717 0.039 0.191 1.00 0.00 O ATOM 306 CB TYR A 21 11.590 0.836 0.971 1.00 0.00 C ATOM 307 CG TYR A 21 10.988 -0.087 2.016 1.00 0.00 C ATOM 308 CD1 TYR A 21 9.724 0.140 2.544 1.00 0.00 C ATOM 309 CD2 TYR A 21 11.697 -1.192 2.474 1.00 0.00 C ATOM 310 CE1 TYR A 21 9.182 -0.705 3.492 1.00 0.00 C ATOM 311 CE2 TYR A 21 11.162 -2.041 3.424 1.00 0.00 C ATOM 312 CZ TYR A 21 9.904 -1.794 3.929 1.00 0.00 C ATOM 313 OH TYR A 21 9.367 -2.638 4.874 1.00 0.00 O ATOM 0 H TYR A 21 9.236 2.414 1.437 1.00 0.00 H new ATOM 0 HA TYR A 21 11.111 1.979 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 21 12.264 0.254 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.196 1.586 1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.154 0.993 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.683 -1.390 2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.196 -0.513 3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.727 -2.894 3.769 1.00 0.00 H new ATOM 0 HH TYR A 21 10.004 -3.356 5.071 1.00 0.00 H new ATOM 323 N THR A 22 9.664 0.365 -1.819 1.00 0.00 N ATOM 324 CA THR A 22 8.759 -0.545 -2.507 1.00 0.00 C ATOM 325 C THR A 22 9.092 -1.981 -2.156 1.00 0.00 C ATOM 326 O THR A 22 9.636 -2.721 -2.969 1.00 0.00 O ATOM 327 CB THR A 22 8.828 -0.333 -4.021 1.00 0.00 C ATOM 328 OG1 THR A 22 10.027 -0.871 -4.548 1.00 0.00 O ATOM 329 CG2 THR A 22 8.763 1.124 -4.427 1.00 0.00 C ATOM 0 H THR A 22 10.362 0.804 -2.420 1.00 0.00 H new ATOM 0 HA THR A 22 7.741 -0.333 -2.179 1.00 0.00 H new ATOM 0 HB THR A 22 7.954 -0.845 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.036 -1.842 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.817 1.202 -5.513 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.826 1.557 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.600 1.663 -3.983 1.00 0.00 H new ATOM 337 N LYS A 23 8.764 -2.352 -0.927 1.00 0.00 N ATOM 338 CA LYS A 23 9.030 -3.695 -0.425 1.00 0.00 C ATOM 339 C LYS A 23 7.909 -4.665 -0.787 1.00 0.00 C ATOM 340 O LYS A 23 6.743 -4.417 -0.496 1.00 0.00 O ATOM 341 CB LYS A 23 9.216 -3.655 1.094 1.00 0.00 C ATOM 342 CG LYS A 23 9.494 -5.017 1.713 1.00 0.00 C ATOM 343 CD LYS A 23 10.931 -5.128 2.202 1.00 0.00 C ATOM 344 CE LYS A 23 10.999 -5.606 3.645 1.00 0.00 C ATOM 345 NZ LYS A 23 11.514 -6.999 3.744 1.00 0.00 N ATOM 0 H LYS A 23 8.309 -1.737 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 23 9.945 -4.053 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.040 -2.983 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.319 -3.235 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.812 -5.185 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.298 -5.798 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.480 -5.820 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.420 -4.158 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.643 -4.939 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.006 -5.553 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.753 -7.211 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.785 -7.663 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.364 -7.098 3.153 1.00 0.00 H new ATOM 359 N THR A 24 8.274 -5.782 -1.410 1.00 0.00 N ATOM 360 CA THR A 24 7.302 -6.795 -1.794 1.00 0.00 C ATOM 361 C THR A 24 7.746 -8.160 -1.289 1.00 0.00 C ATOM 362 O THR A 24 8.336 -8.950 -2.029 1.00 0.00 O ATOM 363 CB THR A 24 7.128 -6.831 -3.311 1.00 0.00 C ATOM 364 OG1 THR A 24 8.315 -7.278 -3.941 1.00 0.00 O ATOM 365 CG2 THR A 24 6.771 -5.487 -3.903 1.00 0.00 C ATOM 0 H THR A 24 9.237 -6.007 -1.659 1.00 0.00 H new ATOM 0 HA THR A 24 6.343 -6.540 -1.343 1.00 0.00 H new ATOM 0 HB THR A 24 6.303 -7.520 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.931 -6.524 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.662 -5.583 -4.983 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.832 -5.138 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.561 -4.770 -3.680 1.00 0.00 H new ATOM 373 N TRP A 25 7.463 -8.419 -0.020 1.00 0.00 N ATOM 374 CA TRP A 25 7.830 -9.682 0.611 1.00 0.00 C ATOM 375 C TRP A 25 6.627 -10.605 0.667 1.00 0.00 C ATOM 376 O TRP A 25 6.114 -10.907 1.745 1.00 0.00 O ATOM 377 CB TRP A 25 8.355 -9.431 2.031 1.00 0.00 C ATOM 378 CG TRP A 25 8.605 -10.677 2.843 1.00 0.00 C ATOM 379 CD1 TRP A 25 8.372 -10.828 4.181 1.00 0.00 C ATOM 380 CD2 TRP A 25 9.146 -11.931 2.389 1.00 0.00 C ATOM 381 NE1 TRP A 25 8.735 -12.089 4.587 1.00 0.00 N ATOM 382 CE2 TRP A 25 9.213 -12.784 3.509 1.00 0.00 C ATOM 383 CE3 TRP A 25 9.582 -12.418 1.151 1.00 0.00 C ATOM 384 CZ2 TRP A 25 9.697 -14.088 3.427 1.00 0.00 C ATOM 385 CZ3 TRP A 25 10.063 -13.712 1.073 1.00 0.00 C ATOM 386 CH2 TRP A 25 10.118 -14.534 2.205 1.00 0.00 C ATOM 0 H TRP A 25 6.978 -7.768 0.597 1.00 0.00 H new ATOM 0 HA TRP A 25 8.615 -10.153 0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.284 -8.865 1.965 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.638 -8.806 2.563 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.961 -10.066 4.826 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.660 -12.449 5.538 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.543 -11.793 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 9.738 -14.724 4.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 10.402 -14.095 0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 25 10.500 -15.540 2.111 1.00 0.00 H new ATOM 397 N CYS A 26 6.175 -11.057 -0.494 1.00 0.00 N ATOM 398 CA CYS A 26 5.029 -11.949 -0.551 1.00 0.00 C ATOM 399 C CYS A 26 5.244 -13.171 0.339 1.00 0.00 C ATOM 400 O CYS A 26 4.296 -13.896 0.635 1.00 0.00 O ATOM 401 CB CYS A 26 4.750 -12.388 -1.990 1.00 0.00 C ATOM 402 SG CYS A 26 3.038 -12.950 -2.273 1.00 0.00 S ATOM 0 H CYS A 26 6.580 -10.823 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 26 4.163 -11.400 -0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.965 -11.556 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.435 -13.194 -2.253 1.00 0.00 H new ATOM 407 N ASP A 27 6.491 -13.393 0.776 1.00 0.00 N ATOM 408 CA ASP A 27 6.800 -14.530 1.643 1.00 0.00 C ATOM 409 C ASP A 27 6.186 -15.831 1.110 1.00 0.00 C ATOM 410 O ASP A 27 6.820 -16.549 0.338 1.00 0.00 O ATOM 411 CB ASP A 27 6.318 -14.248 3.071 1.00 0.00 C ATOM 412 CG ASP A 27 6.625 -15.388 4.024 1.00 0.00 C ATOM 413 OD1 ASP A 27 6.148 -16.515 3.776 1.00 0.00 O ATOM 414 OD2 ASP A 27 7.342 -15.152 5.019 1.00 0.00 O ATOM 0 H ASP A 27 7.292 -12.805 0.545 1.00 0.00 H new ATOM 0 HA ASP A 27 7.882 -14.662 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.790 -13.336 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.243 -14.068 3.059 1.00 0.00 H new ATOM 419 N ALA A 28 4.955 -16.132 1.524 1.00 0.00 N ATOM 420 CA ALA A 28 4.277 -17.344 1.083 1.00 0.00 C ATOM 421 C ALA A 28 2.809 -17.072 0.771 1.00 0.00 C ATOM 422 O ALA A 28 1.976 -16.995 1.674 1.00 0.00 O ATOM 423 CB ALA A 28 4.398 -18.430 2.142 1.00 0.00 C ATOM 0 H ALA A 28 4.411 -15.552 2.163 1.00 0.00 H new ATOM 0 HA ALA A 28 4.759 -17.686 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.887 -19.330 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.451 -18.654 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.943 -18.085 3.070 1.00 0.00 H new ATOM 429 N PHE A 29 2.499 -16.929 -0.514 1.00 0.00 N ATOM 430 CA PHE A 29 1.131 -16.667 -0.948 1.00 0.00 C ATOM 431 C PHE A 29 0.616 -15.347 -0.379 1.00 0.00 C ATOM 432 O PHE A 29 -0.592 -15.140 -0.267 1.00 0.00 O ATOM 433 CB PHE A 29 0.210 -17.810 -0.517 1.00 0.00 C ATOM 434 CG PHE A 29 0.568 -19.135 -1.127 1.00 0.00 C ATOM 435 CD1 PHE A 29 0.881 -19.231 -2.473 1.00 0.00 C ATOM 436 CD2 PHE A 29 0.591 -20.284 -0.353 1.00 0.00 C ATOM 437 CE1 PHE A 29 1.211 -20.449 -3.037 1.00 0.00 C ATOM 438 CE2 PHE A 29 0.919 -21.505 -0.911 1.00 0.00 C ATOM 439 CZ PHE A 29 1.229 -21.588 -2.254 1.00 0.00 C ATOM 0 H PHE A 29 3.177 -16.990 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 29 1.133 -16.596 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.240 -17.900 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.816 -17.560 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.867 -18.344 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.350 -20.225 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.454 -20.511 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.933 -22.394 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.485 -22.541 -2.692 1.00 0.00 H new ATOM 449 N CYS A 30 1.538 -14.456 -0.023 1.00 0.00 N ATOM 450 CA CYS A 30 1.175 -13.156 0.533 1.00 0.00 C ATOM 451 C CYS A 30 0.161 -13.308 1.668 1.00 0.00 C ATOM 452 O CYS A 30 -0.159 -14.424 2.077 1.00 0.00 O ATOM 453 CB CYS A 30 0.615 -12.255 -0.568 1.00 0.00 C ATOM 454 SG CYS A 30 1.895 -11.425 -1.569 1.00 0.00 S ATOM 0 H CYS A 30 2.542 -14.611 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 30 2.073 -12.695 0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.016 -12.852 -1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.024 -11.498 -0.114 1.00 0.00 H new ATOM 459 N SER A 31 -0.333 -12.184 2.181 1.00 0.00 N ATOM 460 CA SER A 31 -1.299 -12.210 3.276 1.00 0.00 C ATOM 461 C SER A 31 -2.686 -11.753 2.814 1.00 0.00 C ATOM 462 O SER A 31 -3.500 -12.568 2.381 1.00 0.00 O ATOM 463 CB SER A 31 -0.806 -11.336 4.433 1.00 0.00 C ATOM 464 OG SER A 31 -0.409 -10.056 3.972 1.00 0.00 O ATOM 0 H SER A 31 -0.082 -11.249 1.859 1.00 0.00 H new ATOM 0 HA SER A 31 -1.389 -13.240 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.597 -11.229 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.033 -11.824 4.929 1.00 0.00 H new ATOM 0 HG SER A 31 -0.100 -9.517 4.730 1.00 0.00 H new ATOM 470 N ILE A 32 -2.953 -10.451 2.914 1.00 0.00 N ATOM 471 CA ILE A 32 -4.243 -9.901 2.511 1.00 0.00 C ATOM 472 C ILE A 32 -4.292 -9.686 0.992 1.00 0.00 C ATOM 473 O ILE A 32 -3.582 -10.362 0.248 1.00 0.00 O ATOM 474 CB ILE A 32 -4.537 -8.583 3.275 1.00 0.00 C ATOM 475 CG1 ILE A 32 -6.048 -8.362 3.405 1.00 0.00 C ATOM 476 CG2 ILE A 32 -3.865 -7.389 2.606 1.00 0.00 C ATOM 477 CD1 ILE A 32 -6.591 -8.684 4.780 1.00 0.00 C ATOM 0 H ILE A 32 -2.293 -9.760 3.270 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.020 -10.620 2.770 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.116 -8.675 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.277 -7.323 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.562 -8.978 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.092 -6.482 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.786 -7.543 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.236 -7.287 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.666 -8.504 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.394 -9.730 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.105 -8.050 5.521 1.00 0.00 H new ATOM 489 N ARG A 33 -5.127 -8.754 0.529 1.00 0.00 N ATOM 490 CA ARG A 33 -5.251 -8.476 -0.900 1.00 0.00 C ATOM 491 C ARG A 33 -4.034 -7.723 -1.440 1.00 0.00 C ATOM 492 O ARG A 33 -4.160 -6.902 -2.348 1.00 0.00 O ATOM 493 CB ARG A 33 -6.521 -7.663 -1.174 1.00 0.00 C ATOM 494 CG ARG A 33 -6.650 -6.411 -0.321 1.00 0.00 C ATOM 495 CD ARG A 33 -8.079 -6.215 0.165 1.00 0.00 C ATOM 496 NE ARG A 33 -8.374 -7.028 1.343 1.00 0.00 N ATOM 497 CZ ARG A 33 -9.484 -6.907 2.069 1.00 0.00 C ATOM 498 NH1 ARG A 33 -10.404 -6.007 1.742 1.00 0.00 N ATOM 499 NH2 ARG A 33 -9.673 -7.688 3.124 1.00 0.00 N ATOM 0 H ARG A 33 -5.726 -8.181 1.123 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.311 -9.435 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.537 -7.377 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.390 -8.298 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.979 -6.482 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.338 -5.541 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.240 -5.163 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.773 -6.472 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.690 -7.729 1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.262 -5.404 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.252 -5.918 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.969 -8.380 3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.523 -7.596 3.681 1.00 0.00 H new ATOM 513 N GLY A 34 -2.856 -8.008 -0.885 1.00 0.00 N ATOM 514 CA GLY A 34 -1.642 -7.351 -1.333 1.00 0.00 C ATOM 515 C GLY A 34 -1.802 -5.849 -1.467 1.00 0.00 C ATOM 516 O GLY A 34 -2.818 -5.286 -1.061 1.00 0.00 O ATOM 0 H GLY A 34 -2.723 -8.683 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.838 -7.565 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.343 -7.767 -2.295 1.00 0.00 H new ATOM 520 N LYS A 35 -0.797 -5.203 -2.044 1.00 0.00 N ATOM 521 CA LYS A 35 -0.824 -3.759 -2.240 1.00 0.00 C ATOM 522 C LYS A 35 -0.110 -3.390 -3.535 1.00 0.00 C ATOM 523 O LYS A 35 0.412 -4.259 -4.232 1.00 0.00 O ATOM 524 CB LYS A 35 -0.164 -3.043 -1.058 1.00 0.00 C ATOM 525 CG LYS A 35 -0.496 -3.654 0.294 1.00 0.00 C ATOM 526 CD LYS A 35 0.496 -4.743 0.672 1.00 0.00 C ATOM 527 CE LYS A 35 0.835 -4.700 2.154 1.00 0.00 C ATOM 528 NZ LYS A 35 0.158 -5.789 2.911 1.00 0.00 N ATOM 0 H LYS A 35 0.050 -5.658 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.864 -3.440 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.917 -3.055 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.474 -1.998 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.492 -2.876 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.503 -4.070 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.079 -5.719 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.407 -4.625 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.914 -4.786 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.541 -3.735 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.415 -5.724 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.873 -5.693 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.458 -6.711 2.536 1.00 0.00 H new ATOM 542 N ARG A 36 -0.083 -2.100 -3.851 1.00 0.00 N ATOM 543 CA ARG A 36 0.580 -1.631 -5.062 1.00 0.00 C ATOM 544 C ARG A 36 2.094 -1.756 -4.923 1.00 0.00 C ATOM 545 O ARG A 36 2.814 -0.756 -4.925 1.00 0.00 O ATOM 546 CB ARG A 36 0.194 -0.178 -5.351 1.00 0.00 C ATOM 547 CG ARG A 36 -0.025 0.113 -6.828 1.00 0.00 C ATOM 548 CD ARG A 36 1.293 0.204 -7.583 1.00 0.00 C ATOM 549 NE ARG A 36 1.379 -0.786 -8.656 1.00 0.00 N ATOM 550 CZ ARG A 36 2.399 -0.870 -9.508 1.00 0.00 C ATOM 551 NH1 ARG A 36 3.421 -0.028 -9.417 1.00 0.00 N ATOM 552 NH2 ARG A 36 2.397 -1.799 -10.454 1.00 0.00 N ATOM 0 H ARG A 36 -0.510 -1.364 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 36 0.255 -2.252 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.717 0.063 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.977 0.479 -4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.642 -0.671 -7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.573 1.049 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.402 1.204 -8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.120 0.058 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 36 0.613 -1.451 -8.758 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.428 0.689 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.199 -0.098 -10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.614 -2.449 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.178 -1.864 -11.107 1.00 0.00 H new ATOM 566 N VAL A 37 2.574 -2.991 -4.791 1.00 0.00 N ATOM 567 CA VAL A 37 4.002 -3.238 -4.639 1.00 0.00 C ATOM 568 C VAL A 37 4.536 -2.514 -3.407 1.00 0.00 C ATOM 569 O VAL A 37 5.631 -1.952 -3.435 1.00 0.00 O ATOM 570 CB VAL A 37 4.789 -2.770 -5.882 1.00 0.00 C ATOM 571 CG1 VAL A 37 6.187 -3.368 -5.894 1.00 0.00 C ATOM 572 CG2 VAL A 37 4.041 -3.129 -7.159 1.00 0.00 C ATOM 0 H VAL A 37 1.996 -3.831 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 37 4.138 -4.313 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 37 4.884 -1.685 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.722 -3.024 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.725 -3.054 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.117 -4.456 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.613 -2.790 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.909 -4.210 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.065 -2.644 -7.157 1.00 0.00 H new ATOM 582 N ASP A 38 3.739 -2.527 -2.329 1.00 0.00 N ATOM 583 CA ASP A 38 4.096 -1.862 -1.069 1.00 0.00 C ATOM 584 C ASP A 38 5.123 -0.757 -1.304 1.00 0.00 C ATOM 585 O ASP A 38 6.224 -0.786 -0.755 1.00 0.00 O ATOM 586 CB ASP A 38 4.624 -2.880 -0.055 1.00 0.00 C ATOM 587 CG ASP A 38 3.810 -2.902 1.225 1.00 0.00 C ATOM 588 OD1 ASP A 38 3.065 -1.931 1.473 1.00 0.00 O ATOM 589 OD2 ASP A 38 3.919 -3.891 1.981 1.00 0.00 O ATOM 0 H ASP A 38 2.834 -2.996 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 38 3.195 -1.403 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.615 -3.873 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.662 -2.647 0.182 1.00 0.00 H new ATOM 594 N LEU A 39 4.745 0.199 -2.153 1.00 0.00 N ATOM 595 CA LEU A 39 5.606 1.323 -2.524 1.00 0.00 C ATOM 596 C LEU A 39 6.559 1.731 -1.402 1.00 0.00 C ATOM 597 O LEU A 39 7.712 2.071 -1.665 1.00 0.00 O ATOM 598 CB LEU A 39 4.752 2.512 -2.960 1.00 0.00 C ATOM 599 CG LEU A 39 4.201 2.420 -4.389 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.485 3.704 -4.779 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.321 2.116 -5.373 1.00 0.00 C ATOM 0 H LEU A 39 3.830 0.216 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 39 6.227 0.994 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.915 2.613 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.348 3.420 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 39 3.478 1.605 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.104 3.613 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.655 3.880 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.182 4.540 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.912 2.054 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.067 2.910 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.787 1.166 -5.112 1.00 0.00 H new ATOM 613 N GLY A 40 6.091 1.688 -0.157 1.00 0.00 N ATOM 614 CA GLY A 40 6.962 2.048 0.952 1.00 0.00 C ATOM 615 C GLY A 40 6.250 2.266 2.271 1.00 0.00 C ATOM 616 O GLY A 40 5.224 1.644 2.546 1.00 0.00 O ATOM 0 H GLY A 40 5.143 1.416 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.706 1.262 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.502 2.958 0.691 1.00 0.00 H new ATOM 620 N CYS A 41 6.837 3.145 3.091 1.00 0.00 N ATOM 621 CA CYS A 41 6.328 3.487 4.423 1.00 0.00 C ATOM 622 C CYS A 41 6.998 2.624 5.492 1.00 0.00 C ATOM 623 O CYS A 41 6.343 1.841 6.179 1.00 0.00 O ATOM 624 CB CYS A 41 4.800 3.357 4.504 1.00 0.00 C ATOM 625 SG CYS A 41 3.980 4.777 5.298 1.00 0.00 S ATOM 0 H CYS A 41 7.691 3.645 2.844 1.00 0.00 H new ATOM 0 HA CYS A 41 6.576 4.532 4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.401 3.236 3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.551 2.451 5.056 1.00 0.00 H new ATOM 630 N ALA A 42 8.317 2.779 5.621 1.00 0.00 N ATOM 631 CA ALA A 42 9.093 2.022 6.600 1.00 0.00 C ATOM 632 C ALA A 42 10.492 2.624 6.781 1.00 0.00 C ATOM 633 O ALA A 42 10.695 3.815 6.548 1.00 0.00 O ATOM 634 CB ALA A 42 9.184 0.561 6.181 1.00 0.00 C ATOM 0 H ALA A 42 8.870 3.424 5.057 1.00 0.00 H new ATOM 0 HA ALA A 42 8.581 2.079 7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.765 0.007 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.182 0.138 6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.671 0.491 5.208 1.00 0.00 H new ATOM 640 N ALA A 43 11.451 1.799 7.208 1.00 0.00 N ATOM 641 CA ALA A 43 12.821 2.260 7.428 1.00 0.00 C ATOM 642 C ALA A 43 13.650 2.218 6.144 1.00 0.00 C ATOM 643 O ALA A 43 13.145 1.874 5.076 1.00 0.00 O ATOM 644 CB ALA A 43 13.486 1.424 8.511 1.00 0.00 C ATOM 0 H ALA A 43 11.303 0.810 7.408 1.00 0.00 H new ATOM 0 HA ALA A 43 12.772 3.299 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.506 1.775 8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.924 1.518 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.506 0.379 8.203 1.00 0.00 H new ATOM 650 N THR A 44 14.929 2.578 6.263 1.00 0.00 N ATOM 651 CA THR A 44 15.840 2.592 5.120 1.00 0.00 C ATOM 652 C THR A 44 16.399 1.202 4.847 1.00 0.00 C ATOM 653 O THR A 44 16.311 0.315 5.694 1.00 0.00 O ATOM 654 CB THR A 44 16.997 3.564 5.370 1.00 0.00 C ATOM 655 OG1 THR A 44 17.848 3.629 4.240 1.00 0.00 O ATOM 656 CG2 THR A 44 17.849 3.185 6.562 1.00 0.00 C ATOM 0 H THR A 44 15.357 2.865 7.143 1.00 0.00 H new ATOM 0 HA THR A 44 15.272 2.919 4.249 1.00 0.00 H new ATOM 0 HB THR A 44 16.528 4.528 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.580 4.256 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.650 3.914 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.232 3.171 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.279 2.196 6.402 1.00 0.00 H new ATOM 664 N CYS A 45 16.985 1.028 3.661 1.00 0.00 N ATOM 665 CA CYS A 45 17.575 -0.250 3.264 1.00 0.00 C ATOM 666 C CYS A 45 18.372 -0.864 4.415 1.00 0.00 C ATOM 667 O CYS A 45 19.526 -0.501 4.645 1.00 0.00 O ATOM 668 CB CYS A 45 18.483 -0.057 2.047 1.00 0.00 C ATOM 669 SG CYS A 45 17.695 -0.465 0.455 1.00 0.00 S ATOM 0 H CYS A 45 17.063 1.761 2.956 1.00 0.00 H new ATOM 0 HA CYS A 45 16.765 -0.931 3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.818 0.980 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.372 -0.676 2.169 1.00 0.00 H new ATOM 674 N PRO A 46 17.758 -1.797 5.163 1.00 0.00 N ATOM 675 CA PRO A 46 18.393 -2.452 6.298 1.00 0.00 C ATOM 676 C PRO A 46 19.020 -3.797 5.935 1.00 0.00 C ATOM 677 O PRO A 46 19.715 -4.404 6.748 1.00 0.00 O ATOM 678 CB PRO A 46 17.206 -2.657 7.234 1.00 0.00 C ATOM 679 CG PRO A 46 16.030 -2.878 6.328 1.00 0.00 C ATOM 680 CD PRO A 46 16.381 -2.287 4.978 1.00 0.00 C ATOM 0 HA PRO A 46 19.218 -1.872 6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.364 -3.512 7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.053 -1.788 7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.811 -3.942 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.137 -2.403 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 46 16.324 -3.034 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.701 -1.480 4.704 1.00 0.00 H new ATOM 688 N THR A 47 18.751 -4.256 4.712 1.00 0.00 N ATOM 689 CA THR A 47 19.250 -5.529 4.205 1.00 0.00 C ATOM 690 C THR A 47 18.316 -5.980 3.095 1.00 0.00 C ATOM 691 O THR A 47 18.745 -6.226 1.968 1.00 0.00 O ATOM 692 CB THR A 47 19.322 -6.591 5.317 1.00 0.00 C ATOM 693 OG1 THR A 47 20.569 -6.531 5.986 1.00 0.00 O ATOM 694 CG2 THR A 47 19.145 -8.014 4.825 1.00 0.00 C ATOM 0 H THR A 47 18.175 -3.747 4.041 1.00 0.00 H new ATOM 0 HA THR A 47 20.264 -5.402 3.827 1.00 0.00 H new ATOM 0 HB THR A 47 18.492 -6.352 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.644 -5.678 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.209 -8.701 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.171 -8.115 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 47 19.928 -8.250 4.105 1.00 0.00 H new ATOM 702 N VAL A 48 17.023 -6.039 3.437 1.00 0.00 N ATOM 703 CA VAL A 48 15.962 -6.415 2.502 1.00 0.00 C ATOM 704 C VAL A 48 16.476 -7.336 1.388 1.00 0.00 C ATOM 705 O VAL A 48 17.417 -8.101 1.599 1.00 0.00 O ATOM 706 CB VAL A 48 15.316 -5.149 1.891 1.00 0.00 C ATOM 707 CG1 VAL A 48 14.616 -4.324 2.963 1.00 0.00 C ATOM 708 CG2 VAL A 48 16.347 -4.298 1.154 1.00 0.00 C ATOM 0 H VAL A 48 16.685 -5.826 4.375 1.00 0.00 H new ATOM 0 HA VAL A 48 15.211 -6.970 3.065 1.00 0.00 H new ATOM 0 HB VAL A 48 14.571 -5.479 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.170 -3.440 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.836 -4.924 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.341 -4.018 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 48 15.860 -3.417 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.126 -3.987 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.792 -4.882 0.348 1.00 0.00 H new ATOM 718 N LYS A 49 15.882 -7.248 0.196 1.00 0.00 N ATOM 719 CA LYS A 49 16.324 -8.051 -0.929 1.00 0.00 C ATOM 720 C LYS A 49 16.052 -9.531 -0.723 1.00 0.00 C ATOM 721 O LYS A 49 15.147 -9.917 0.017 1.00 0.00 O ATOM 722 CB LYS A 49 17.815 -7.820 -1.148 1.00 0.00 C ATOM 723 CG LYS A 49 18.213 -6.374 -0.975 1.00 0.00 C ATOM 724 CD LYS A 49 18.205 -5.663 -2.309 1.00 0.00 C ATOM 725 CE LYS A 49 18.916 -4.321 -2.236 1.00 0.00 C ATOM 726 NZ LYS A 49 17.964 -3.195 -2.024 1.00 0.00 N ATOM 0 H LYS A 49 15.097 -6.629 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 49 15.758 -7.742 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.380 -8.434 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.086 -8.149 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.525 -5.880 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.206 -6.314 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.688 -6.290 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.176 -5.512 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.642 -4.339 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.473 -4.156 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.490 -2.299 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.286 -3.160 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.450 -3.338 -1.131 1.00 0.00 H new ATOM 740 N THR A 50 16.850 -10.349 -1.400 1.00 0.00 N ATOM 741 CA THR A 50 16.723 -11.807 -1.326 1.00 0.00 C ATOM 742 C THR A 50 15.256 -12.234 -1.379 1.00 0.00 C ATOM 743 O THR A 50 14.585 -12.312 -0.350 1.00 0.00 O ATOM 744 CB THR A 50 17.380 -12.341 -0.051 1.00 0.00 C ATOM 745 OG1 THR A 50 17.057 -13.706 0.143 1.00 0.00 O ATOM 746 CG2 THR A 50 16.974 -11.593 1.200 1.00 0.00 C ATOM 0 H THR A 50 17.599 -10.027 -2.013 1.00 0.00 H new ATOM 0 HA THR A 50 17.235 -12.231 -2.190 1.00 0.00 H new ATOM 0 HB THR A 50 18.450 -12.201 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 50 17.487 -14.031 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 50 17.479 -12.027 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 50 17.255 -10.544 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.895 -11.668 1.335 1.00 0.00 H new ATOM 754 N GLY A 51 14.762 -12.497 -2.585 1.00 0.00 N ATOM 755 CA GLY A 51 13.375 -12.897 -2.746 1.00 0.00 C ATOM 756 C GLY A 51 12.438 -11.706 -2.710 1.00 0.00 C ATOM 757 O GLY A 51 11.741 -11.422 -3.684 1.00 0.00 O ATOM 0 H GLY A 51 15.296 -12.441 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.256 -13.424 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.104 -13.597 -1.955 1.00 0.00 H new ATOM 761 N VAL A 52 12.438 -11.001 -1.585 1.00 0.00 N ATOM 762 CA VAL A 52 11.601 -9.820 -1.413 1.00 0.00 C ATOM 763 C VAL A 52 11.998 -8.733 -2.410 1.00 0.00 C ATOM 764 O VAL A 52 13.118 -8.224 -2.363 1.00 0.00 O ATOM 765 CB VAL A 52 11.741 -9.251 0.007 1.00 0.00 C ATOM 766 CG1 VAL A 52 10.718 -8.154 0.234 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.590 -10.357 1.042 1.00 0.00 C ATOM 0 H VAL A 52 13.012 -11.229 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 52 10.568 -10.123 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 52 12.736 -8.821 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.827 -7.758 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.877 -7.353 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.714 -8.561 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.692 -9.936 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.608 -10.818 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.362 -11.110 0.885 1.00 0.00 H new ATOM 777 N ASP A 53 11.087 -8.374 -3.308 1.00 0.00 N ATOM 778 CA ASP A 53 11.372 -7.339 -4.300 1.00 0.00 C ATOM 779 C ASP A 53 11.137 -5.956 -3.704 1.00 0.00 C ATOM 780 O ASP A 53 9.998 -5.499 -3.613 1.00 0.00 O ATOM 781 CB ASP A 53 10.500 -7.532 -5.544 1.00 0.00 C ATOM 782 CG ASP A 53 11.302 -7.474 -6.829 1.00 0.00 C ATOM 783 OD1 ASP A 53 12.407 -8.055 -6.866 1.00 0.00 O ATOM 784 OD2 ASP A 53 10.825 -6.849 -7.799 1.00 0.00 O ATOM 0 H ASP A 53 10.153 -8.779 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 53 12.419 -7.422 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.990 -8.493 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.728 -6.763 -5.566 1.00 0.00 H new ATOM 789 N ILE A 54 12.212 -5.298 -3.274 1.00 0.00 N ATOM 790 CA ILE A 54 12.090 -3.984 -2.667 1.00 0.00 C ATOM 791 C ILE A 54 13.010 -2.950 -3.304 1.00 0.00 C ATOM 792 O ILE A 54 14.156 -3.238 -3.652 1.00 0.00 O ATOM 793 CB ILE A 54 12.388 -4.055 -1.158 1.00 0.00 C ATOM 794 CG1 ILE A 54 12.230 -2.671 -0.502 1.00 0.00 C ATOM 795 CG2 ILE A 54 13.788 -4.606 -0.935 1.00 0.00 C ATOM 796 CD1 ILE A 54 13.542 -2.013 -0.141 1.00 0.00 C ATOM 0 H ILE A 54 13.166 -5.653 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 54 11.061 -3.666 -2.835 1.00 0.00 H new ATOM 0 HB ILE A 54 11.669 -4.726 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.682 -2.018 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.626 -2.773 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.994 -4.654 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.858 -5.606 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 54 14.517 -3.953 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.349 -1.043 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.084 -2.644 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.141 -1.877 -1.042 1.00 0.00 H new ATOM 808 N GLN A 55 12.494 -1.732 -3.420 1.00 0.00 N ATOM 809 CA GLN A 55 13.247 -0.615 -3.973 1.00 0.00 C ATOM 810 C GLN A 55 13.207 0.542 -2.986 1.00 0.00 C ATOM 811 O GLN A 55 12.362 1.432 -3.084 1.00 0.00 O ATOM 812 CB GLN A 55 12.673 -0.186 -5.326 1.00 0.00 C ATOM 813 CG GLN A 55 13.737 0.176 -6.351 1.00 0.00 C ATOM 814 CD GLN A 55 14.660 1.279 -5.869 1.00 0.00 C ATOM 815 OE1 GLN A 55 14.375 2.463 -6.042 1.00 0.00 O ATOM 816 NE2 GLN A 55 15.776 0.893 -5.261 1.00 0.00 N ATOM 0 H GLN A 55 11.545 -1.492 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 55 14.280 -0.923 -4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.058 -0.994 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.017 0.671 -5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.327 -0.710 -6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.253 0.490 -7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.973 -0.100 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.436 1.590 -4.916 1.00 0.00 H new ATOM 825 N CYS A 56 14.106 0.495 -2.012 1.00 0.00 N ATOM 826 CA CYS A 56 14.162 1.513 -0.971 1.00 0.00 C ATOM 827 C CYS A 56 14.581 2.876 -1.524 1.00 0.00 C ATOM 828 O CYS A 56 15.344 2.963 -2.487 1.00 0.00 O ATOM 829 CB CYS A 56 15.086 1.054 0.170 1.00 0.00 C ATOM 830 SG CYS A 56 16.867 1.289 -0.147 1.00 0.00 S ATOM 0 H CYS A 56 14.808 -0.239 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 56 13.157 1.640 -0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.818 1.597 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 56 14.902 -0.003 0.365 1.00 0.00 H new ATOM 835 N CYS A 57 14.060 3.938 -0.906 1.00 0.00 N ATOM 836 CA CYS A 57 14.354 5.303 -1.325 1.00 0.00 C ATOM 837 C CYS A 57 13.829 6.308 -0.302 1.00 0.00 C ATOM 838 O CYS A 57 12.732 6.146 0.239 1.00 0.00 O ATOM 839 CB CYS A 57 13.731 5.589 -2.699 1.00 0.00 C ATOM 840 SG CYS A 57 11.905 5.675 -2.699 1.00 0.00 S ATOM 0 H CYS A 57 13.428 3.874 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 57 15.437 5.408 -1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.127 6.533 -3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.046 4.812 -3.396 1.00 0.00 H new ATOM 845 N SER A 58 14.612 7.349 -0.050 1.00 0.00 N ATOM 846 CA SER A 58 14.220 8.384 0.898 1.00 0.00 C ATOM 847 C SER A 58 13.400 9.462 0.196 1.00 0.00 C ATOM 848 O SER A 58 13.752 10.642 0.220 1.00 0.00 O ATOM 849 CB SER A 58 15.457 9.004 1.551 1.00 0.00 C ATOM 850 OG SER A 58 15.219 9.301 2.916 1.00 0.00 O ATOM 0 H SER A 58 15.521 7.499 -0.488 1.00 0.00 H new ATOM 0 HA SER A 58 13.607 7.928 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.299 8.317 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.734 9.915 1.020 1.00 0.00 H new ATOM 0 HG SER A 58 16.025 9.695 3.311 1.00 0.00 H new ATOM 856 N THR A 59 12.308 9.044 -0.439 1.00 0.00 N ATOM 857 CA THR A 59 11.440 9.966 -1.160 1.00 0.00 C ATOM 858 C THR A 59 12.182 10.576 -2.350 1.00 0.00 C ATOM 859 O THR A 59 13.109 9.966 -2.885 1.00 0.00 O ATOM 860 CB THR A 59 10.930 11.063 -0.221 1.00 0.00 C ATOM 861 OG1 THR A 59 10.917 10.607 1.121 1.00 0.00 O ATOM 862 CG2 THR A 59 9.531 11.535 -0.559 1.00 0.00 C ATOM 0 H THR A 59 12.004 8.071 -0.468 1.00 0.00 H new ATOM 0 HA THR A 59 10.581 9.412 -1.539 1.00 0.00 H new ATOM 0 HB THR A 59 11.619 11.898 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.336 9.821 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.229 12.312 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.517 11.937 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.838 10.696 -0.492 1.00 0.00 H new ATOM 870 N ASP A 60 11.775 11.773 -2.767 1.00 0.00 N ATOM 871 CA ASP A 60 12.409 12.445 -3.894 1.00 0.00 C ATOM 872 C ASP A 60 12.154 11.682 -5.191 1.00 0.00 C ATOM 873 O ASP A 60 13.074 11.119 -5.784 1.00 0.00 O ATOM 874 CB ASP A 60 13.915 12.596 -3.655 1.00 0.00 C ATOM 875 CG ASP A 60 14.284 13.983 -3.164 1.00 0.00 C ATOM 876 OD1 ASP A 60 14.138 14.947 -3.945 1.00 0.00 O ATOM 877 OD2 ASP A 60 14.720 14.104 -2.000 1.00 0.00 O ATOM 0 H ASP A 60 11.010 12.295 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 60 11.970 13.439 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.241 11.856 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.450 12.387 -4.581 1.00 0.00 H new ATOM 882 N ASN A 61 10.891 11.676 -5.621 1.00 0.00 N ATOM 883 CA ASN A 61 10.478 10.994 -6.852 1.00 0.00 C ATOM 884 C ASN A 61 10.116 9.535 -6.589 1.00 0.00 C ATOM 885 O ASN A 61 10.265 8.682 -7.464 1.00 0.00 O ATOM 886 CB ASN A 61 11.568 11.077 -7.927 1.00 0.00 C ATOM 887 CG ASN A 61 11.009 10.941 -9.330 1.00 0.00 C ATOM 888 OD1 ASN A 61 11.452 10.096 -10.107 1.00 0.00 O ATOM 889 ND2 ASN A 61 10.030 11.775 -9.661 1.00 0.00 N ATOM 0 H ASN A 61 10.128 12.141 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 61 9.589 11.508 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.090 12.030 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.305 10.292 -7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.615 11.730 -10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.693 12.460 -8.985 1.00 0.00 H new ATOM 896 N CYS A 62 9.625 9.255 -5.386 1.00 0.00 N ATOM 897 CA CYS A 62 9.226 7.900 -5.021 1.00 0.00 C ATOM 898 C CYS A 62 7.727 7.736 -5.163 1.00 0.00 C ATOM 899 O CYS A 62 7.237 6.685 -5.574 1.00 0.00 O ATOM 900 CB CYS A 62 9.680 7.566 -3.595 1.00 0.00 C ATOM 901 SG CYS A 62 11.494 7.548 -3.378 1.00 0.00 S ATOM 0 H CYS A 62 9.494 9.947 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 62 9.713 7.201 -5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.249 8.294 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.281 6.590 -3.317 1.00 0.00 H new ATOM 906 N ASN A 63 7.008 8.778 -4.804 1.00 0.00 N ATOM 907 CA ASN A 63 5.563 8.763 -4.865 1.00 0.00 C ATOM 908 C ASN A 63 4.973 9.730 -5.911 1.00 0.00 C ATOM 909 O ASN A 63 3.899 9.457 -6.445 1.00 0.00 O ATOM 910 CB ASN A 63 5.038 9.056 -3.469 1.00 0.00 C ATOM 911 CG ASN A 63 3.884 10.045 -3.443 1.00 0.00 C ATOM 912 OD1 ASN A 63 2.748 9.644 -4.001 1.00 0.00 O flip ATOM 913 ND2 ASN A 63 4.014 11.155 -2.926 1.00 0.00 N flip ATOM 0 H ASN A 63 7.406 9.654 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 63 5.241 7.777 -5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.714 8.122 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.853 9.446 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.906 11.422 -2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.230 11.808 -2.915 1.00 0.00 H new ATOM 920 N PRO A 64 5.635 10.868 -6.229 1.00 0.00 N ATOM 921 CA PRO A 64 5.109 11.820 -7.215 1.00 0.00 C ATOM 922 C PRO A 64 4.562 11.131 -8.463 1.00 0.00 C ATOM 923 O PRO A 64 5.307 10.820 -9.392 1.00 0.00 O ATOM 924 CB PRO A 64 6.330 12.667 -7.559 1.00 0.00 C ATOM 925 CG PRO A 64 7.134 12.674 -6.307 1.00 0.00 C ATOM 926 CD PRO A 64 6.923 11.325 -5.669 1.00 0.00 C ATOM 0 HA PRO A 64 4.267 12.392 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.891 12.239 -8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.044 13.677 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.189 12.843 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.812 13.475 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.732 10.636 -5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.883 11.398 -4.582 1.00 0.00 H new ATOM 934 N PHE A 65 3.253 10.892 -8.472 1.00 0.00 N ATOM 935 CA PHE A 65 2.601 10.234 -9.599 1.00 0.00 C ATOM 936 C PHE A 65 1.143 10.676 -9.717 1.00 0.00 C ATOM 937 O PHE A 65 0.576 11.226 -8.773 1.00 0.00 O ATOM 938 CB PHE A 65 2.672 8.715 -9.435 1.00 0.00 C ATOM 939 CG PHE A 65 3.959 8.116 -9.925 1.00 0.00 C ATOM 940 CD1 PHE A 65 4.343 8.252 -11.250 1.00 0.00 C ATOM 941 CD2 PHE A 65 4.785 7.415 -9.060 1.00 0.00 C ATOM 942 CE1 PHE A 65 5.527 7.700 -11.702 1.00 0.00 C ATOM 943 CE2 PHE A 65 5.969 6.861 -9.507 1.00 0.00 C ATOM 944 CZ PHE A 65 6.341 7.004 -10.830 1.00 0.00 C ATOM 0 H PHE A 65 2.623 11.145 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 65 3.125 10.521 -10.511 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.543 8.465 -8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.841 8.261 -9.975 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.710 8.795 -11.937 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.500 7.301 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.815 7.813 -12.737 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.603 6.317 -8.823 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.266 6.572 -11.182 1.00 0.00 H new ATOM 954 N PRO A 66 0.515 10.438 -10.882 1.00 0.00 N ATOM 955 CA PRO A 66 -0.883 10.812 -11.120 1.00 0.00 C ATOM 956 C PRO A 66 -1.824 10.236 -10.066 1.00 0.00 C ATOM 957 O PRO A 66 -2.325 10.961 -9.206 1.00 0.00 O ATOM 958 CB PRO A 66 -1.196 10.221 -12.503 1.00 0.00 C ATOM 959 CG PRO A 66 -0.088 9.263 -12.789 1.00 0.00 C ATOM 960 CD PRO A 66 1.112 9.788 -12.057 1.00 0.00 C ATOM 0 HA PRO A 66 -1.024 11.892 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.162 9.715 -12.504 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.245 11.002 -13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.343 8.259 -12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.105 9.199 -13.860 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.795 8.988 -11.773 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.681 10.492 -12.664 1.00 0.00 H new ATOM 968 N THR A 67 -2.062 8.930 -10.137 1.00 0.00 N ATOM 969 CA THR A 67 -2.944 8.262 -9.187 1.00 0.00 C ATOM 970 C THR A 67 -2.556 6.797 -9.016 1.00 0.00 C ATOM 971 O THR A 67 -1.780 6.254 -9.801 1.00 0.00 O ATOM 972 CB THR A 67 -4.399 8.368 -9.648 1.00 0.00 C ATOM 973 OG1 THR A 67 -5.275 7.823 -8.676 1.00 0.00 O ATOM 974 CG2 THR A 67 -4.666 7.659 -10.959 1.00 0.00 C ATOM 0 H THR A 67 -1.657 8.314 -10.842 1.00 0.00 H new ATOM 0 HA THR A 67 -2.839 8.759 -8.223 1.00 0.00 H new ATOM 0 HB THR A 67 -4.580 9.434 -9.788 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.200 7.902 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.716 7.774 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.042 8.093 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.432 6.600 -10.854 1.00 0.00 H new ATOM 982 N ARG A 68 -3.102 6.163 -7.983 1.00 0.00 N ATOM 983 CA ARG A 68 -2.814 4.760 -7.706 1.00 0.00 C ATOM 984 C ARG A 68 -3.677 3.847 -8.571 1.00 0.00 C ATOM 985 O ARG A 68 -3.163 2.987 -9.287 1.00 0.00 O ATOM 986 CB ARG A 68 -3.049 4.453 -6.224 1.00 0.00 C ATOM 987 CG ARG A 68 -1.789 4.539 -5.377 1.00 0.00 C ATOM 988 CD ARG A 68 -1.135 5.909 -5.476 1.00 0.00 C ATOM 989 NE ARG A 68 -1.142 6.615 -4.196 1.00 0.00 N ATOM 990 CZ ARG A 68 -2.157 7.361 -3.764 1.00 0.00 C ATOM 991 NH1 ARG A 68 -3.254 7.498 -4.499 1.00 0.00 N ATOM 992 NH2 ARG A 68 -2.076 7.972 -2.589 1.00 0.00 N ATOM 0 H ARG A 68 -3.747 6.599 -7.324 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.767 4.574 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.790 5.149 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.471 3.452 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.035 4.328 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.082 3.774 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.107 5.796 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.658 6.507 -6.222 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.320 6.531 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.324 7.030 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.027 8.071 -4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.237 7.870 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.853 8.544 -2.257 1.00 0.00 H new ATOM 1006 N LYS A 69 -4.990 4.040 -8.500 1.00 0.00 N ATOM 1007 CA LYS A 69 -5.923 3.234 -9.277 1.00 0.00 C ATOM 1008 C LYS A 69 -5.868 3.610 -10.754 1.00 0.00 C ATOM 1009 O LYS A 69 -5.237 4.598 -11.130 1.00 0.00 O ATOM 1010 CB LYS A 69 -7.347 3.409 -8.745 1.00 0.00 C ATOM 1011 CG LYS A 69 -7.587 2.718 -7.411 1.00 0.00 C ATOM 1012 CD LYS A 69 -8.643 1.629 -7.525 1.00 0.00 C ATOM 1013 CE LYS A 69 -8.194 0.507 -8.448 1.00 0.00 C ATOM 1014 NZ LYS A 69 -8.332 -0.830 -7.807 1.00 0.00 N ATOM 0 H LYS A 69 -5.431 4.747 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.632 2.188 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.557 4.473 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.051 3.018 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.654 2.284 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.901 3.454 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.856 1.224 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.571 2.060 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.784 0.533 -9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.154 0.667 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.365 -1.565 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.518 -1.001 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.209 -0.858 -7.249 1.00 0.00 H new ATOM 1028 N ARG A 70 -6.532 2.816 -11.587 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.558 3.066 -13.024 1.00 0.00 C ATOM 1030 C ARG A 70 -7.666 2.260 -13.698 1.00 0.00 C ATOM 1031 O ARG A 70 -7.442 1.136 -14.146 1.00 0.00 O ATOM 1032 CB ARG A 70 -5.204 2.716 -13.647 1.00 0.00 C ATOM 1033 CG ARG A 70 -4.727 3.730 -14.674 1.00 0.00 C ATOM 1034 CD ARG A 70 -3.213 3.720 -14.807 1.00 0.00 C ATOM 1035 NE ARG A 70 -2.775 3.040 -16.024 1.00 0.00 N ATOM 1036 CZ ARG A 70 -3.033 3.481 -17.253 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -3.726 4.599 -17.433 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -2.597 2.803 -18.305 1.00 0.00 N ATOM 0 H ARG A 70 -7.059 1.994 -11.292 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.760 4.126 -13.180 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.459 2.635 -12.855 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.273 1.737 -14.121 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.179 3.510 -15.641 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.061 4.726 -14.385 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.843 4.745 -14.811 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.776 3.227 -13.939 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.240 2.177 -15.926 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.064 5.125 -16.627 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.921 4.932 -18.377 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.064 1.944 -18.173 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.795 3.141 -19.247 1.00 0.00 H new ATOM 1052 N PRO A 71 -8.883 2.827 -13.778 1.00 0.00 N ATOM 1053 CA PRO A 71 -10.027 2.154 -14.402 1.00 0.00 C ATOM 1054 C PRO A 71 -9.700 1.627 -15.796 1.00 0.00 C ATOM 1055 O PRO A 71 -10.230 0.558 -16.163 1.00 0.00 O ATOM 1056 CB PRO A 71 -11.086 3.254 -14.481 1.00 0.00 C ATOM 1057 CG PRO A 71 -10.738 4.194 -13.380 1.00 0.00 C ATOM 1058 CD PRO A 71 -9.238 4.165 -13.269 1.00 0.00 C ATOM 1059 OXT PRO A 71 -8.916 2.289 -16.509 1.00 0.00 O ATOM 0 HA PRO A 71 -10.344 1.279 -13.835 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.066 3.754 -15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.089 2.848 -14.352 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.094 5.201 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.205 3.888 -12.444 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.776 4.955 -13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.909 4.304 -12.239 1.00 0.00 H new TER 1067 PRO A 71 ATOM 1068 N TYR B 181 -28.599 -7.252 1.929 1.00 0.00 N ATOM 1069 CA TYR B 181 -27.173 -7.430 1.545 1.00 0.00 C ATOM 1070 C TYR B 181 -26.922 -6.944 0.121 1.00 0.00 C ATOM 1071 O TYR B 181 -27.177 -7.665 -0.844 1.00 0.00 O ATOM 1072 CB TYR B 181 -26.815 -8.914 1.664 1.00 0.00 C ATOM 1073 CG TYR B 181 -27.322 -9.565 2.932 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -26.629 -9.432 4.130 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -28.493 -10.313 2.931 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -27.090 -10.027 5.290 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -28.959 -10.910 4.087 1.00 0.00 C ATOM 1078 CZ TYR B 181 -28.254 -10.765 5.263 1.00 0.00 C ATOM 1079 OH TYR B 181 -28.715 -11.358 6.416 1.00 0.00 O ATOM 0 HA TYR B 181 -26.547 -6.837 2.212 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -27.223 -9.447 0.805 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -25.731 -9.021 1.620 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -25.716 -8.855 4.155 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -29.048 -10.430 2.012 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -26.541 -9.914 6.213 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -29.871 -11.488 4.069 1.00 0.00 H new ATOM 0 HH TYR B 181 -29.547 -11.840 6.226 1.00 0.00 H new ATOM 1091 N ARG B 182 -26.422 -5.719 -0.005 1.00 0.00 N ATOM 1092 CA ARG B 182 -26.137 -5.145 -1.314 1.00 0.00 C ATOM 1093 C ARG B 182 -25.054 -4.068 -1.217 1.00 0.00 C ATOM 1094 O ARG B 182 -23.866 -4.364 -1.340 1.00 0.00 O ATOM 1095 CB ARG B 182 -27.414 -4.565 -1.930 1.00 0.00 C ATOM 1096 CG ARG B 182 -28.383 -5.622 -2.434 1.00 0.00 C ATOM 1097 CD ARG B 182 -29.570 -4.994 -3.148 1.00 0.00 C ATOM 1098 NE ARG B 182 -30.559 -4.469 -2.210 1.00 0.00 N ATOM 1099 CZ ARG B 182 -31.469 -5.221 -1.594 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -31.518 -6.529 -1.812 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -32.333 -4.662 -0.757 1.00 0.00 N ATOM 0 H ARG B 182 -26.206 -5.106 0.782 1.00 0.00 H new ATOM 0 HA ARG B 182 -25.766 -5.940 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -27.918 -3.948 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -27.143 -3.909 -2.757 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -27.864 -6.298 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -28.737 -6.222 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -29.220 -4.189 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -30.040 -5.737 -3.792 1.00 0.00 H new ATOM 0 HE ARG B 182 -30.552 -3.468 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -30.856 -6.964 -2.455 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -32.218 -7.099 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -32.300 -3.657 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -33.030 -5.237 -0.285 1.00 0.00 H new ATOM 1115 N GLY B 183 -25.467 -2.821 -0.998 1.00 0.00 N ATOM 1116 CA GLY B 183 -24.513 -1.732 -0.893 1.00 0.00 C ATOM 1117 C GLY B 183 -24.041 -1.492 0.530 1.00 0.00 C ATOM 1118 O GLY B 183 -23.556 -0.408 0.852 1.00 0.00 O ATOM 0 H GLY B 183 -26.444 -2.547 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -23.651 -1.949 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -24.968 -0.819 -1.278 1.00 0.00 H new ATOM 1122 N TRP B 184 -24.183 -2.500 1.387 1.00 0.00 N ATOM 1123 CA TRP B 184 -23.765 -2.378 2.779 1.00 0.00 C ATOM 1124 C TRP B 184 -22.269 -2.638 2.925 1.00 0.00 C ATOM 1125 O TRP B 184 -21.509 -1.747 3.305 1.00 0.00 O ATOM 1126 CB TRP B 184 -24.553 -3.349 3.660 1.00 0.00 C ATOM 1127 CG TRP B 184 -25.806 -2.756 4.233 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -26.065 -1.433 4.451 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -26.971 -3.469 4.666 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -27.319 -1.280 4.991 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -27.895 -2.515 5.132 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -27.323 -4.821 4.703 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -29.147 -2.870 5.629 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -28.566 -5.173 5.196 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -29.465 -4.201 5.653 1.00 0.00 C ATOM 0 H TRP B 184 -24.583 -3.406 1.143 1.00 0.00 H new ATOM 0 HA TRP B 184 -23.970 -1.358 3.103 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -24.813 -4.230 3.073 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -23.914 -3.687 4.476 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -25.383 -0.625 4.231 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -27.751 -0.392 5.245 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -26.636 -5.577 4.353 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -29.841 -2.122 5.982 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -28.848 -6.215 5.229 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -30.429 -4.508 6.032 1.00 0.00 H new ATOM 1146 N LYS B 185 -21.851 -3.863 2.622 1.00 0.00 N ATOM 1147 CA LYS B 185 -20.444 -4.235 2.723 1.00 0.00 C ATOM 1148 C LYS B 185 -19.686 -3.865 1.452 1.00 0.00 C ATOM 1149 O LYS B 185 -20.222 -3.958 0.347 1.00 0.00 O ATOM 1150 CB LYS B 185 -20.307 -5.735 2.991 1.00 0.00 C ATOM 1151 CG LYS B 185 -18.867 -6.187 3.173 1.00 0.00 C ATOM 1152 CD LYS B 185 -18.273 -5.641 4.461 1.00 0.00 C ATOM 1153 CE LYS B 185 -16.849 -6.130 4.670 1.00 0.00 C ATOM 1154 NZ LYS B 185 -15.845 -5.126 4.220 1.00 0.00 N ATOM 0 H LYS B 185 -22.465 -4.613 2.305 1.00 0.00 H new ATOM 0 HA LYS B 185 -20.011 -3.682 3.556 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -20.876 -5.990 3.885 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -20.751 -6.287 2.162 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -18.825 -7.276 3.184 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -18.269 -5.853 2.325 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -18.284 -4.551 4.435 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -18.891 -5.946 5.306 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -16.693 -6.352 5.726 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -16.701 -7.061 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -14.887 -5.498 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -15.977 -4.933 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -15.969 -4.245 4.759 1.00 0.00 H new ATOM 1168 N HIS B 186 -18.435 -3.446 1.618 1.00 0.00 N ATOM 1169 CA HIS B 186 -17.598 -3.062 0.487 1.00 0.00 C ATOM 1170 C HIS B 186 -16.122 -3.100 0.864 1.00 0.00 C ATOM 1171 O HIS B 186 -15.701 -2.468 1.833 1.00 0.00 O ATOM 1172 CB HIS B 186 -17.975 -1.661 0.000 1.00 0.00 C ATOM 1173 CG HIS B 186 -18.072 -0.652 1.102 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -18.758 -0.678 2.271 1.00 0.00 N flip ATOM 1175 CD2 HIS B 186 -17.412 0.559 1.075 1.00 0.00 C flip ATOM 1176 CE1 HIS B 186 -18.501 0.504 2.918 1.00 0.00 C flip ATOM 1177 NE2 HIS B 186 -17.687 1.233 2.178 1.00 0.00 N flip ATOM 0 H HIS B 186 -17.978 -3.364 2.526 1.00 0.00 H new ATOM 0 HA HIS B 186 -17.767 -3.778 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -17.234 -1.325 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -18.931 -1.711 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -16.771 0.903 0.277 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -18.901 0.792 3.879 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -17.331 2.159 2.417 1.00 0.00 H new ATOM 1186 N TRP B 187 -15.342 -3.846 0.090 1.00 0.00 N ATOM 1187 CA TRP B 187 -13.911 -3.970 0.338 1.00 0.00 C ATOM 1188 C TRP B 187 -13.135 -2.890 -0.410 1.00 0.00 C ATOM 1189 O TRP B 187 -12.983 -2.951 -1.630 1.00 0.00 O ATOM 1190 CB TRP B 187 -13.420 -5.358 -0.075 1.00 0.00 C ATOM 1191 CG TRP B 187 -13.535 -5.624 -1.545 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -14.673 -5.925 -2.236 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -12.472 -5.618 -2.504 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -14.383 -6.104 -3.567 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -13.038 -5.920 -3.757 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -11.095 -5.384 -2.426 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -12.276 -5.996 -4.920 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -10.340 -5.459 -3.581 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -10.932 -5.762 -4.814 1.00 0.00 C ATOM 0 H TRP B 187 -15.677 -4.375 -0.715 1.00 0.00 H new ATOM 0 HA TRP B 187 -13.736 -3.838 1.406 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -12.378 -5.469 0.225 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -13.990 -6.112 0.468 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -15.657 -6.010 -1.800 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -15.059 -6.336 -4.295 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -10.630 -5.149 -1.480 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -12.730 -6.231 -5.872 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -9.276 -5.281 -3.532 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -10.315 -5.812 -5.699 1.00 0.00 H new ATOM 1210 N VAL B 188 -12.657 -1.895 0.331 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.907 -0.792 -0.264 1.00 0.00 C ATOM 1212 C VAL B 188 -10.469 -1.202 -0.610 1.00 0.00 C ATOM 1213 O VAL B 188 -10.233 -1.800 -1.660 1.00 0.00 O ATOM 1214 CB VAL B 188 -11.944 0.486 0.628 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.838 0.156 2.105 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -10.870 1.489 0.230 1.00 0.00 C ATOM 0 H VAL B 188 -12.775 -1.829 1.342 1.00 0.00 H new ATOM 0 HA VAL B 188 -12.404 -0.540 -1.201 1.00 0.00 H new ATOM 0 HB VAL B 188 -12.917 0.947 0.458 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.868 1.077 2.687 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -12.671 -0.484 2.396 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -10.898 -0.363 2.295 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -10.932 2.364 0.877 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -9.887 1.030 0.334 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -11.021 1.792 -0.806 1.00 0.00 H new ATOM 1226 N TYR B 189 -9.513 -0.883 0.255 1.00 0.00 N ATOM 1227 CA TYR B 189 -8.119 -1.225 0.010 1.00 0.00 C ATOM 1228 C TYR B 189 -7.607 -0.576 -1.268 1.00 0.00 C ATOM 1229 O TYR B 189 -8.383 -0.228 -2.158 1.00 0.00 O ATOM 1230 CB TYR B 189 -7.946 -2.741 -0.090 1.00 0.00 C ATOM 1231 CG TYR B 189 -6.681 -3.233 0.565 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -5.451 -3.100 -0.066 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -6.716 -3.814 1.823 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -4.290 -3.536 0.542 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -5.561 -4.255 2.438 1.00 0.00 C ATOM 1236 CZ TYR B 189 -4.349 -4.112 1.794 1.00 0.00 C ATOM 1237 OH TYR B 189 -3.195 -4.548 2.402 1.00 0.00 O ATOM 0 H TYR B 189 -9.679 -0.388 1.131 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.539 -0.848 0.852 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -8.803 -3.230 0.373 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.942 -3.032 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -5.402 -2.649 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -7.663 -3.924 2.331 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -3.340 -3.426 0.039 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -5.606 -4.709 3.417 1.00 0.00 H new ATOM 0 HH TYR B 189 -2.690 -5.111 1.779 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.288 -0.435 -1.358 1.00 0.00 N ATOM 1248 CA TYR B 190 -5.653 0.147 -2.534 1.00 0.00 C ATOM 1249 C TYR B 190 -5.846 1.661 -2.590 1.00 0.00 C ATOM 1250 O TYR B 190 -4.891 2.414 -2.411 1.00 0.00 O ATOM 1251 CB TYR B 190 -6.201 -0.509 -3.800 1.00 0.00 C ATOM 1252 CG TYR B 190 -5.271 -0.411 -4.988 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -3.945 -0.813 -4.889 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -5.718 0.079 -6.209 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.092 -0.730 -5.972 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -4.870 0.165 -7.296 1.00 0.00 C ATOM 1257 CZ TYR B 190 -3.559 -0.241 -7.173 1.00 0.00 C ATOM 1258 OH TYR B 190 -2.712 -0.158 -8.254 1.00 0.00 O ATOM 0 H TYR B 190 -5.636 -0.718 -0.626 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.582 -0.042 -2.466 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -6.404 -1.560 -3.595 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -7.153 -0.044 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -3.575 -1.197 -3.950 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -6.745 0.398 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -2.064 -1.047 -5.878 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -5.233 0.549 -8.238 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.375 -1.051 -8.475 1.00 0.00 H new ATOM 1268 N THR B 191 -7.079 2.104 -2.844 1.00 0.00 N ATOM 1269 CA THR B 191 -7.384 3.536 -2.924 1.00 0.00 C ATOM 1270 C THR B 191 -8.805 3.778 -3.429 1.00 0.00 C ATOM 1271 O THR B 191 -9.143 3.413 -4.554 1.00 0.00 O ATOM 1272 CB THR B 191 -6.390 4.261 -3.844 1.00 0.00 C ATOM 1273 OG1 THR B 191 -5.638 3.337 -4.610 1.00 0.00 O ATOM 1274 CG2 THR B 191 -5.412 5.147 -3.101 1.00 0.00 C ATOM 0 H THR B 191 -7.882 1.494 -2.998 1.00 0.00 H new ATOM 0 HA THR B 191 -7.297 3.936 -1.914 1.00 0.00 H new ATOM 0 HB THR B 191 -7.008 4.890 -4.484 1.00 0.00 H new ATOM 0 HG1 THR B 191 -4.850 3.055 -4.101 1.00 0.00 H new ATOM 0 HG21 THR B 191 -4.741 5.626 -3.814 1.00 0.00 H new ATOM 0 HG22 THR B 191 -5.960 5.910 -2.548 1.00 0.00 H new ATOM 0 HG23 THR B 191 -4.830 4.543 -2.405 1.00 0.00 H new ATOM 1282 N CYS B 192 -9.625 4.413 -2.591 1.00 0.00 N ATOM 1283 CA CYS B 192 -11.010 4.728 -2.945 1.00 0.00 C ATOM 1284 C CYS B 192 -11.777 5.209 -1.748 1.00 0.00 C ATOM 1285 O CYS B 192 -12.665 6.056 -1.848 1.00 0.00 O ATOM 1286 CB CYS B 192 -11.766 3.487 -3.468 1.00 0.00 C ATOM 1287 SG CYS B 192 -12.524 2.413 -2.162 1.00 0.00 S ATOM 0 H CYS B 192 -9.352 4.721 -1.658 1.00 0.00 H new ATOM 0 HA CYS B 192 -10.950 5.496 -3.716 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -12.554 3.820 -4.144 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -11.076 2.883 -4.057 1.00 0.00 H new ATOM 1292 N CYS B 193 -11.521 4.546 -0.641 1.00 0.00 N ATOM 1293 CA CYS B 193 -12.284 4.779 0.551 1.00 0.00 C ATOM 1294 C CYS B 193 -11.464 4.514 1.823 1.00 0.00 C ATOM 1295 O CYS B 193 -10.267 4.233 1.750 1.00 0.00 O ATOM 1296 CB CYS B 193 -13.504 3.851 0.450 1.00 0.00 C ATOM 1297 SG CYS B 193 -14.040 3.492 -1.287 1.00 0.00 S ATOM 0 H CYS B 193 -10.788 3.842 -0.548 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.586 5.824 0.628 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -13.274 2.910 0.949 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -14.336 4.303 0.990 1.00 0.00 H new ATOM 1302 N PRO B 194 -12.096 4.624 3.013 1.00 0.00 N ATOM 1303 CA PRO B 194 -11.419 4.422 4.301 1.00 0.00 C ATOM 1304 C PRO B 194 -11.328 2.947 4.720 1.00 0.00 C ATOM 1305 O PRO B 194 -11.251 2.063 3.871 1.00 0.00 O ATOM 1306 CB PRO B 194 -12.307 5.220 5.257 1.00 0.00 C ATOM 1307 CG PRO B 194 -13.678 5.087 4.693 1.00 0.00 C ATOM 1308 CD PRO B 194 -13.518 4.981 3.197 1.00 0.00 C ATOM 0 HA PRO B 194 -10.377 4.741 4.279 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -12.255 4.823 6.271 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -11.998 6.264 5.307 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -14.178 4.205 5.093 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -14.291 5.948 4.957 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -14.178 4.221 2.778 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -13.761 5.921 2.702 1.00 0.00 H new ATOM 1316 N ASP B 195 -11.315 2.700 6.039 1.00 0.00 N ATOM 1317 CA ASP B 195 -11.212 1.345 6.605 1.00 0.00 C ATOM 1318 C ASP B 195 -11.827 0.277 5.698 1.00 0.00 C ATOM 1319 O ASP B 195 -12.938 0.442 5.196 1.00 0.00 O ATOM 1320 CB ASP B 195 -11.895 1.304 7.973 1.00 0.00 C ATOM 1321 CG ASP B 195 -13.325 1.804 7.920 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -14.171 1.121 7.306 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -13.600 2.880 8.493 1.00 0.00 O ATOM 0 H ASP B 195 -11.376 3.434 6.744 1.00 0.00 H new ATOM 0 HA ASP B 195 -10.150 1.119 6.701 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -11.884 0.282 8.351 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -11.327 1.911 8.678 1.00 0.00 H new ATOM 1328 N THR B 196 -11.091 -0.820 5.488 1.00 0.00 N ATOM 1329 CA THR B 196 -11.568 -1.901 4.641 1.00 0.00 C ATOM 1330 C THR B 196 -12.521 -2.838 5.399 1.00 0.00 C ATOM 1331 O THR B 196 -13.731 -2.790 5.177 1.00 0.00 O ATOM 1332 CB THR B 196 -10.400 -2.675 4.021 1.00 0.00 C ATOM 1333 OG1 THR B 196 -9.177 -2.381 4.674 1.00 0.00 O ATOM 1334 CG2 THR B 196 -10.207 -2.360 2.559 1.00 0.00 C ATOM 0 H THR B 196 -10.168 -0.976 5.894 1.00 0.00 H new ATOM 0 HA THR B 196 -12.138 -1.451 3.828 1.00 0.00 H new ATOM 0 HB THR B 196 -10.661 -3.727 4.140 1.00 0.00 H new ATOM 0 HG1 THR B 196 -8.452 -2.892 4.256 1.00 0.00 H new ATOM 0 HG21 THR B 196 -9.367 -2.936 2.171 1.00 0.00 H new ATOM 0 HG22 THR B 196 -11.111 -2.621 2.008 1.00 0.00 H new ATOM 0 HG23 THR B 196 -10.004 -1.296 2.440 1.00 0.00 H new ATOM 1342 N PRO B 197 -12.011 -3.706 6.305 1.00 0.00 N ATOM 1343 CA PRO B 197 -12.854 -4.628 7.068 1.00 0.00 C ATOM 1344 C PRO B 197 -13.360 -4.011 8.368 1.00 0.00 C ATOM 1345 O PRO B 197 -13.301 -2.796 8.555 1.00 0.00 O ATOM 1346 CB PRO B 197 -11.886 -5.765 7.367 1.00 0.00 C ATOM 1347 CG PRO B 197 -10.586 -5.073 7.587 1.00 0.00 C ATOM 1348 CD PRO B 197 -10.587 -3.872 6.671 1.00 0.00 C ATOM 0 HA PRO B 197 -13.754 -4.922 6.528 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -12.192 -6.331 8.247 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -11.829 -6.471 6.538 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -10.479 -4.768 8.628 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -9.750 -5.734 7.361 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -10.197 -2.986 7.173 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -9.965 -4.040 5.792 1.00 0.00 H new ATOM 1356 N TYR B 198 -13.844 -4.860 9.270 1.00 0.00 N ATOM 1357 CA TYR B 198 -14.347 -4.403 10.560 1.00 0.00 C ATOM 1358 C TYR B 198 -14.235 -5.509 11.605 1.00 0.00 C ATOM 1359 O TYR B 198 -14.954 -6.522 11.472 1.00 0.00 O ATOM 1360 CB TYR B 198 -15.801 -3.945 10.442 1.00 0.00 C ATOM 1361 CG TYR B 198 -16.368 -3.418 11.740 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -15.755 -2.367 12.410 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -17.513 -3.973 12.298 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -16.265 -1.883 13.598 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -18.030 -3.495 13.487 1.00 0.00 C ATOM 1366 CZ TYR B 198 -17.403 -2.450 14.133 1.00 0.00 C ATOM 1367 OH TYR B 198 -17.915 -1.972 15.318 1.00 0.00 O ATOM 0 H TYR B 198 -13.898 -5.869 9.130 1.00 0.00 H new ATOM 0 HA TYR B 198 -13.737 -3.557 10.877 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -15.869 -3.167 9.681 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -16.411 -4.781 10.099 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -14.864 -1.921 11.994 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -18.007 -4.791 11.794 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -15.776 -1.065 14.106 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -18.921 -3.937 13.908 1.00 0.00 H new ATOM 0 HH TYR B 198 -18.719 -2.480 15.556 1.00 0.00 H new TER 1377 TYR B 198