USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 70 ASN : amide:sc= -9.97! C(o=-9.1!,f=-17!) USER MOD Set 1.2: A 76 TYR OH : rot 123:sc= 0.859 USER MOD Set 2.1: A 54 ASN : amide:sc= -2.28 K(o=-5.1,f=-11!) USER MOD Set 2.2: A 58 ASN : amide:sc= -2.86 K(o=-5.1,f=-10!) USER MOD Set 3.1: A 30 CYS SG : rot -42:sc= 0.844 USER MOD Set 3.2: A 48 GLN : amide:sc= -0.378 K(o=0.47,f=-0.44) USER MOD Set 4.1: A 8 TYR OH : rot 180:sc= -0.261 USER MOD Set 4.2: A 50 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 53 HIS : no HD1:sc= -4.38! C(o=-4.6!,f=-4.6!) USER MOD Set 5.1: A 1 MET N :NH3+ 137:sc= -0.157 (180deg=-0.146) USER MOD Set 5.2: A 3 LYS NZ :NH3+ 180:sc= -0.226 (180deg=-0.0697) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 67:sc= 0.966 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -98:sc= 0.751 USER MOD Single : A 14 MET CE :methyl 179:sc= -1.22 (180deg=-1.23) USER MOD Single : A 18 GLN : amide:sc= -1.23 K(o=-1.2,f=-2!) USER MOD Single : A 19 SER OG : rot -126:sc= 0.592 USER MOD Single : A 21 GLN : amide:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -0.013 (180deg=-0.626) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 42:sc= 0.666 USER MOD Single : A 27 SER OG : rot 170:sc= -0.398 USER MOD Single : A 34 SER OG : rot -29:sc= 0.788 USER MOD Single : A 35 ASN : amide:sc= -4.11! C(o=-4.1!,f=-4.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.484 K(o=-0.48,f=-1.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 3:sc= 0.0122 USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 0.372 (180deg=-0.208) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 82 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.17) USER MOD Single : A 83 SER OG : rot -90:sc= -1.16! USER MOD Single : A 86 MET CE :methyl -137:sc= 0 (180deg=-0.00317) USER MOD Single : A 89 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.4!) USER MOD Single : A 91 SER OG : rot -59:sc= 0.00397 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 3.261 1.006 -1.112 1.00 1.00 C ATOM 4 O MET A 1 3.360 1.893 -1.974 1.00 1.00 O ATOM 5 CB MET A 1 1.224 0.379 -2.417 1.00 1.00 C ATOM 6 CG MET A 1 0.638 1.781 -2.236 1.00 1.00 C ATOM 7 SD MET A 1 -1.152 1.674 -1.946 1.00 1.00 S ATOM 8 CE MET A 1 -1.763 2.535 -3.425 1.00 1.00 C ATOM 0 H1 MET A 1 0.330 -0.020 -0.225 1.00 1.00 H new ATOM 0 H2 MET A 1 1.591 -0.839 0.563 1.00 1.00 H new ATOM 0 H3 MET A 1 1.562 0.859 0.545 1.00 1.00 H new ATOM 0 HA MET A 1 2.516 -1.000 -1.400 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.803 0.339 -3.339 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.417 -0.347 -2.516 1.00 1.00 H new ATOM 0 HG2 MET A 1 1.121 2.280 -1.396 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.836 2.384 -3.122 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.853 2.560 -3.407 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.377 3.554 -3.438 1.00 1.00 H new ATOM 0 HE3 MET A 1 -1.427 2.008 -4.318 1.00 1.00 H new ATOM 18 N VAL A 2 4.090 0.853 -0.064 1.00 1.00 N ATOM 19 CA VAL A 2 5.217 1.741 0.163 1.00 1.00 C ATOM 20 C VAL A 2 4.701 3.103 0.631 1.00 1.00 C ATOM 21 O VAL A 2 5.137 4.122 0.077 1.00 1.00 O ATOM 22 CB VAL A 2 6.076 1.830 -1.100 1.00 1.00 C ATOM 23 CG1 VAL A 2 7.418 2.504 -0.804 1.00 1.00 C ATOM 24 CG2 VAL A 2 6.283 0.447 -1.721 1.00 1.00 C ATOM 0 H VAL A 2 3.990 0.117 0.635 1.00 1.00 H new ATOM 0 HA VAL A 2 5.860 1.348 0.951 1.00 1.00 H new ATOM 0 HB VAL A 2 5.544 2.446 -1.824 1.00 1.00 H new ATOM 0 HG11 VAL A 2 8.009 2.555 -1.718 1.00 1.00 H new ATOM 0 HG12 VAL A 2 7.244 3.512 -0.428 1.00 1.00 H new ATOM 0 HG13 VAL A 2 7.958 1.926 -0.054 1.00 1.00 H new ATOM 0 HG21 VAL A 2 6.897 0.539 -2.617 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.784 -0.203 -1.003 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.316 0.019 -1.986 1.00 1.00 H new ATOM 34 N LYS A 3 3.796 3.094 1.627 1.00 1.00 N ATOM 35 CA LYS A 3 3.228 4.320 2.162 1.00 1.00 C ATOM 36 C LYS A 3 4.105 4.825 3.309 1.00 1.00 C ATOM 37 O LYS A 3 4.637 5.939 3.197 1.00 1.00 O ATOM 38 CB LYS A 3 1.765 4.105 2.556 1.00 1.00 C ATOM 39 CG LYS A 3 0.825 4.825 1.587 1.00 1.00 C ATOM 40 CD LYS A 3 -0.613 4.327 1.747 1.00 1.00 C ATOM 41 CE LYS A 3 -0.935 3.240 0.720 1.00 1.00 C ATOM 42 NZ LYS A 3 -0.695 1.905 1.291 1.00 1.00 N ATOM 0 H LYS A 3 3.449 2.243 2.070 1.00 1.00 H new ATOM 0 HA LYS A 3 3.218 5.099 1.400 1.00 1.00 H new ATOM 0 HB2 LYS A 3 1.539 3.039 2.562 1.00 1.00 H new ATOM 0 HB3 LYS A 3 1.600 4.472 3.569 1.00 1.00 H new ATOM 0 HG2 LYS A 3 0.864 5.899 1.767 1.00 1.00 H new ATOM 0 HG3 LYS A 3 1.158 4.662 0.562 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.756 3.935 2.754 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -1.305 5.160 1.629 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -1.975 3.326 0.405 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.320 3.378 -0.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -0.918 1.179 0.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.303 1.821 1.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -1.300 1.771 2.126 1.00 1.00 H new ATOM 56 N PRO A 4 4.236 4.011 4.371 1.00 1.00 N ATOM 57 CA PRO A 4 5.032 4.340 5.541 1.00 1.00 C ATOM 58 C PRO A 4 6.527 4.202 5.244 1.00 1.00 C ATOM 59 O PRO A 4 6.870 3.769 4.134 1.00 1.00 O ATOM 60 CB PRO A 4 4.552 3.389 6.624 1.00 1.00 C ATOM 61 CG PRO A 4 3.840 2.258 5.900 1.00 1.00 C ATOM 62 CD PRO A 4 3.593 2.704 4.468 1.00 1.00 C ATOM 0 HA PRO A 4 4.908 5.376 5.856 1.00 1.00 H new ATOM 0 HB2 PRO A 4 5.389 3.011 7.211 1.00 1.00 H new ATOM 0 HB3 PRO A 4 3.879 3.894 7.317 1.00 1.00 H new ATOM 0 HG2 PRO A 4 4.446 1.352 5.919 1.00 1.00 H new ATOM 0 HG3 PRO A 4 2.898 2.022 6.394 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.019 1.999 3.754 1.00 1.00 H new ATOM 0 HD3 PRO A 4 2.527 2.770 4.252 1.00 1.00 H new ATOM 70 N PRO A 5 7.372 4.568 6.224 1.00 1.00 N ATOM 71 CA PRO A 5 8.818 4.499 6.103 1.00 1.00 C ATOM 72 C PRO A 5 9.309 3.053 6.211 1.00 1.00 C ATOM 73 O PRO A 5 8.479 2.139 6.101 1.00 1.00 O ATOM 74 CB PRO A 5 9.349 5.391 7.214 1.00 1.00 C ATOM 75 CG PRO A 5 8.204 5.555 8.199 1.00 1.00 C ATOM 76 CD PRO A 5 6.932 5.076 7.520 1.00 1.00 C ATOM 0 HA PRO A 5 9.175 4.840 5.131 1.00 1.00 H new ATOM 0 HB2 PRO A 5 10.217 4.941 7.695 1.00 1.00 H new ATOM 0 HB3 PRO A 5 9.668 6.357 6.821 1.00 1.00 H new ATOM 0 HG2 PRO A 5 8.394 4.978 9.104 1.00 1.00 H new ATOM 0 HG3 PRO A 5 8.106 6.598 8.500 1.00 1.00 H new ATOM 0 HD2 PRO A 5 6.440 4.298 8.104 1.00 1.00 H new ATOM 0 HD3 PRO A 5 6.215 5.889 7.404 1.00 1.00 H new ATOM 84 N TYR A 6 10.626 2.879 6.421 1.00 1.00 N ATOM 85 CA TYR A 6 11.156 1.530 6.529 1.00 1.00 C ATOM 86 C TYR A 6 12.192 1.482 7.654 1.00 1.00 C ATOM 87 O TYR A 6 12.872 2.497 7.863 1.00 1.00 O ATOM 88 CB TYR A 6 11.754 1.087 5.180 1.00 1.00 C ATOM 89 CG TYR A 6 11.508 -0.374 4.831 1.00 1.00 C ATOM 90 CD1 TYR A 6 12.083 -1.403 5.612 1.00 1.00 C ATOM 91 CD2 TYR A 6 10.707 -0.709 3.715 1.00 1.00 C ATOM 92 CE1 TYR A 6 11.855 -2.756 5.282 1.00 1.00 C ATOM 93 CE2 TYR A 6 10.479 -2.062 3.385 1.00 1.00 C ATOM 94 CZ TYR A 6 11.052 -3.087 4.168 1.00 1.00 C ATOM 95 OH TYR A 6 10.828 -4.395 3.846 1.00 1.00 O ATOM 0 H TYR A 6 11.310 3.629 6.515 1.00 1.00 H new ATOM 0 HA TYR A 6 10.355 0.833 6.775 1.00 1.00 H new ATOM 0 HB2 TYR A 6 11.338 1.712 4.390 1.00 1.00 H new ATOM 0 HB3 TYR A 6 12.829 1.268 5.196 1.00 1.00 H new ATOM 0 HD1 TYR A 6 12.698 -1.153 6.463 1.00 1.00 H new ATOM 0 HD2 TYR A 6 10.268 0.073 3.113 1.00 1.00 H new ATOM 0 HE1 TYR A 6 12.295 -3.539 5.882 1.00 1.00 H new ATOM 0 HE2 TYR A 6 9.865 -2.313 2.532 1.00 1.00 H new ATOM 0 HH TYR A 6 10.287 -4.816 4.546 1.00 1.00 H new ATOM 105 N SER A 7 12.285 0.334 8.349 1.00 1.00 N ATOM 106 CA SER A 7 13.225 0.172 9.445 1.00 1.00 C ATOM 107 C SER A 7 14.045 -1.100 9.225 1.00 1.00 C ATOM 108 O SER A 7 13.559 -2.184 9.581 1.00 1.00 O ATOM 109 CB SER A 7 12.505 0.113 10.794 1.00 1.00 C ATOM 110 OG SER A 7 13.278 0.701 11.837 1.00 1.00 O ATOM 0 H SER A 7 11.714 -0.490 8.161 1.00 1.00 H new ATOM 0 HA SER A 7 13.888 1.037 9.464 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.548 0.629 10.717 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.288 -0.925 11.044 1.00 1.00 H new ATOM 0 HG SER A 7 12.784 0.645 12.682 1.00 1.00 H new ATOM 116 N TYR A 8 15.252 -0.947 8.652 1.00 1.00 N ATOM 117 CA TYR A 8 16.079 -2.118 8.411 1.00 1.00 C ATOM 118 C TYR A 8 16.469 -2.745 9.751 1.00 1.00 C ATOM 119 O TYR A 8 16.426 -3.980 9.850 1.00 1.00 O ATOM 120 CB TYR A 8 17.314 -1.731 7.578 1.00 1.00 C ATOM 121 CG TYR A 8 16.994 -1.122 6.220 1.00 1.00 C ATOM 122 CD1 TYR A 8 16.247 -1.859 5.273 1.00 1.00 C ATOM 123 CD2 TYR A 8 17.435 0.183 5.899 1.00 1.00 C ATOM 124 CE1 TYR A 8 15.946 -1.297 4.014 1.00 1.00 C ATOM 125 CE2 TYR A 8 17.133 0.745 4.640 1.00 1.00 C ATOM 126 CZ TYR A 8 16.389 0.004 3.696 1.00 1.00 C ATOM 127 OH TYR A 8 16.096 0.544 2.476 1.00 1.00 O ATOM 0 H TYR A 8 15.655 -0.057 8.361 1.00 1.00 H new ATOM 0 HA TYR A 8 15.520 -2.858 7.839 1.00 1.00 H new ATOM 0 HB2 TYR A 8 17.913 -1.021 8.148 1.00 1.00 H new ATOM 0 HB3 TYR A 8 17.928 -2.619 7.428 1.00 1.00 H new ATOM 0 HD1 TYR A 8 15.906 -2.855 5.514 1.00 1.00 H new ATOM 0 HD2 TYR A 8 18.005 0.751 6.619 1.00 1.00 H new ATOM 0 HE1 TYR A 8 15.376 -1.864 3.293 1.00 1.00 H new ATOM 0 HE2 TYR A 8 17.471 1.742 4.399 1.00 1.00 H new ATOM 0 HH TYR A 8 16.474 1.447 2.419 1.00 1.00 H new ATOM 137 N ILE A 9 16.843 -1.905 10.733 1.00 1.00 N ATOM 138 CA ILE A 9 17.244 -2.384 12.045 1.00 1.00 C ATOM 139 C ILE A 9 16.200 -3.375 12.562 1.00 1.00 C ATOM 140 O ILE A 9 16.592 -4.373 13.185 1.00 1.00 O ATOM 141 CB ILE A 9 17.497 -1.208 12.990 1.00 1.00 C ATOM 142 CG1 ILE A 9 16.203 -0.438 13.265 1.00 1.00 C ATOM 143 CG2 ILE A 9 18.602 -0.298 12.450 1.00 1.00 C ATOM 144 CD1 ILE A 9 16.397 0.572 14.399 1.00 1.00 C ATOM 0 H ILE A 9 16.872 -0.891 10.631 1.00 1.00 H new ATOM 0 HA ILE A 9 18.190 -2.921 11.982 1.00 1.00 H new ATOM 0 HB ILE A 9 17.845 -1.605 13.944 1.00 1.00 H new ATOM 0 HG12 ILE A 9 15.885 0.081 12.361 1.00 1.00 H new ATOM 0 HG13 ILE A 9 15.408 -1.137 13.527 1.00 1.00 H new ATOM 0 HG21 ILE A 9 18.762 0.530 13.141 1.00 1.00 H new ATOM 0 HG22 ILE A 9 19.525 -0.868 12.347 1.00 1.00 H new ATOM 0 HG23 ILE A 9 18.307 0.094 11.476 1.00 1.00 H new ATOM 0 HD11 ILE A 9 15.463 1.106 14.575 1.00 1.00 H new ATOM 0 HD12 ILE A 9 16.691 0.047 15.308 1.00 1.00 H new ATOM 0 HD13 ILE A 9 17.175 1.284 14.123 1.00 1.00 H new ATOM 156 N ALA A 10 14.913 -3.087 12.300 1.00 1.00 N ATOM 157 CA ALA A 10 13.826 -3.947 12.736 1.00 1.00 C ATOM 158 C ALA A 10 13.700 -5.130 11.773 1.00 1.00 C ATOM 159 O ALA A 10 13.222 -6.190 12.202 1.00 1.00 O ATOM 160 CB ALA A 10 12.502 -3.185 12.655 1.00 1.00 C ATOM 0 H ALA A 10 14.611 -2.259 11.786 1.00 1.00 H new ATOM 0 HA ALA A 10 14.033 -4.276 13.754 1.00 1.00 H new ATOM 0 HB1 ALA A 10 11.689 -3.833 12.983 1.00 1.00 H new ATOM 0 HB2 ALA A 10 12.548 -2.306 13.299 1.00 1.00 H new ATOM 0 HB3 ALA A 10 12.325 -2.872 11.626 1.00 1.00 H new ATOM 166 N LEU A 11 14.125 -4.929 10.513 1.00 1.00 N ATOM 167 CA LEU A 11 14.059 -5.971 9.503 1.00 1.00 C ATOM 168 C LEU A 11 15.213 -6.953 9.714 1.00 1.00 C ATOM 169 O LEU A 11 14.956 -8.165 9.754 1.00 1.00 O ATOM 170 CB LEU A 11 14.023 -5.357 8.102 1.00 1.00 C ATOM 171 CG LEU A 11 12.773 -5.654 7.271 1.00 1.00 C ATOM 172 CD1 LEU A 11 12.517 -7.160 7.184 1.00 1.00 C ATOM 173 CD2 LEU A 11 11.561 -4.897 7.816 1.00 1.00 C ATOM 0 H LEU A 11 14.517 -4.048 10.181 1.00 1.00 H new ATOM 0 HA LEU A 11 13.134 -6.539 9.601 1.00 1.00 H new ATOM 0 HB2 LEU A 11 14.123 -4.276 8.198 1.00 1.00 H new ATOM 0 HB3 LEU A 11 14.894 -5.710 7.550 1.00 1.00 H new ATOM 0 HG LEU A 11 12.945 -5.298 6.255 1.00 1.00 H new ATOM 0 HD11 LEU A 11 11.623 -7.343 6.588 1.00 1.00 H new ATOM 0 HD12 LEU A 11 13.372 -7.648 6.716 1.00 1.00 H new ATOM 0 HD13 LEU A 11 12.374 -7.563 8.186 1.00 1.00 H new ATOM 0 HD21 LEU A 11 10.686 -5.125 7.208 1.00 1.00 H new ATOM 0 HD22 LEU A 11 11.376 -5.200 8.846 1.00 1.00 H new ATOM 0 HD23 LEU A 11 11.756 -3.825 7.783 1.00 1.00 H new ATOM 185 N ILE A 12 16.441 -6.421 9.844 1.00 1.00 N ATOM 186 CA ILE A 12 17.620 -7.245 10.050 1.00 1.00 C ATOM 187 C ILE A 12 17.394 -8.160 11.255 1.00 1.00 C ATOM 188 O ILE A 12 17.544 -9.381 11.104 1.00 1.00 O ATOM 189 CB ILE A 12 18.871 -6.372 10.167 1.00 1.00 C ATOM 190 CG1 ILE A 12 19.443 -6.045 8.786 1.00 1.00 C ATOM 191 CG2 ILE A 12 19.911 -7.024 11.079 1.00 1.00 C ATOM 192 CD1 ILE A 12 18.517 -5.099 8.018 1.00 1.00 C ATOM 0 H ILE A 12 16.631 -5.420 9.808 1.00 1.00 H new ATOM 0 HA ILE A 12 17.789 -7.889 9.187 1.00 1.00 H new ATOM 0 HB ILE A 12 18.586 -5.427 10.629 1.00 1.00 H new ATOM 0 HG12 ILE A 12 20.426 -5.588 8.895 1.00 1.00 H new ATOM 0 HG13 ILE A 12 19.580 -6.965 8.218 1.00 1.00 H new ATOM 0 HG21 ILE A 12 20.790 -6.383 11.145 1.00 1.00 H new ATOM 0 HG22 ILE A 12 19.487 -7.162 12.074 1.00 1.00 H new ATOM 0 HG23 ILE A 12 20.198 -7.992 10.669 1.00 1.00 H new ATOM 0 HD11 ILE A 12 18.947 -4.883 7.040 1.00 1.00 H new ATOM 0 HD12 ILE A 12 17.542 -5.569 7.890 1.00 1.00 H new ATOM 0 HD13 ILE A 12 18.401 -4.170 8.577 1.00 1.00 H new ATOM 204 N THR A 13 17.043 -7.562 12.407 1.00 1.00 N ATOM 205 CA THR A 13 16.799 -8.318 13.624 1.00 1.00 C ATOM 206 C THR A 13 15.948 -9.546 13.294 1.00 1.00 C ATOM 207 O THR A 13 16.154 -10.593 13.924 1.00 1.00 O ATOM 208 CB THR A 13 16.153 -7.390 14.655 1.00 1.00 C ATOM 209 OG1 THR A 13 15.178 -6.667 13.909 1.00 1.00 O ATOM 210 CG2 THR A 13 17.115 -6.310 15.154 1.00 1.00 C ATOM 0 H THR A 13 16.925 -6.554 12.509 1.00 1.00 H new ATOM 0 HA THR A 13 17.727 -8.689 14.058 1.00 1.00 H new ATOM 0 HB THR A 13 15.797 -7.979 15.500 1.00 1.00 H new ATOM 0 HG1 THR A 13 15.544 -5.796 13.650 1.00 1.00 H new ATOM 0 HG21 THR A 13 16.607 -5.679 15.883 1.00 1.00 H new ATOM 0 HG22 THR A 13 17.980 -6.781 15.622 1.00 1.00 H new ATOM 0 HG23 THR A 13 17.445 -5.700 14.313 1.00 1.00 H new ATOM 218 N MET A 14 15.023 -9.395 12.329 1.00 1.00 N ATOM 219 CA MET A 14 14.150 -10.484 11.923 1.00 1.00 C ATOM 220 C MET A 14 14.890 -11.380 10.927 1.00 1.00 C ATOM 221 O MET A 14 14.602 -12.585 10.892 1.00 1.00 O ATOM 222 CB MET A 14 12.881 -9.934 11.269 1.00 1.00 C ATOM 223 CG MET A 14 11.669 -10.804 11.608 1.00 1.00 C ATOM 224 SD MET A 14 11.311 -11.934 10.231 1.00 1.00 S ATOM 225 CE MET A 14 10.493 -10.786 9.085 1.00 1.00 C ATOM 0 H MET A 14 14.869 -8.523 11.822 1.00 1.00 H new ATOM 0 HA MET A 14 13.869 -11.061 12.804 1.00 1.00 H new ATOM 0 HB2 MET A 14 12.706 -8.913 11.608 1.00 1.00 H new ATOM 0 HB3 MET A 14 13.013 -9.893 10.188 1.00 1.00 H new ATOM 0 HG2 MET A 14 11.863 -11.374 12.516 1.00 1.00 H new ATOM 0 HG3 MET A 14 10.802 -10.173 11.807 1.00 1.00 H new ATOM 0 HE1 MET A 14 10.221 -11.315 8.172 1.00 1.00 H new ATOM 0 HE2 MET A 14 9.594 -10.384 9.553 1.00 1.00 H new ATOM 0 HE3 MET A 14 11.172 -9.969 8.842 1.00 1.00 H new ATOM 235 N ALA A 15 15.812 -10.784 10.151 1.00 1.00 N ATOM 236 CA ALA A 15 16.584 -11.523 9.166 1.00 1.00 C ATOM 237 C ALA A 15 17.675 -12.325 9.877 1.00 1.00 C ATOM 238 O ALA A 15 18.005 -13.422 9.401 1.00 1.00 O ATOM 239 CB ALA A 15 17.306 -10.544 8.238 1.00 1.00 C ATOM 0 H ALA A 15 16.033 -9.789 10.196 1.00 1.00 H new ATOM 0 HA ALA A 15 15.906 -12.170 8.610 1.00 1.00 H new ATOM 0 HB1 ALA A 15 17.884 -11.101 7.500 1.00 1.00 H new ATOM 0 HB2 ALA A 15 16.573 -9.919 7.728 1.00 1.00 H new ATOM 0 HB3 ALA A 15 17.976 -9.914 8.824 1.00 1.00 H new ATOM 245 N ILE A 16 18.205 -11.773 10.983 1.00 1.00 N ATOM 246 CA ILE A 16 19.249 -12.433 11.749 1.00 1.00 C ATOM 247 C ILE A 16 18.697 -13.732 12.340 1.00 1.00 C ATOM 248 O ILE A 16 19.386 -14.759 12.253 1.00 1.00 O ATOM 249 CB ILE A 16 19.830 -11.479 12.794 1.00 1.00 C ATOM 250 CG1 ILE A 16 20.377 -10.211 12.136 1.00 1.00 C ATOM 251 CG2 ILE A 16 20.885 -12.182 13.651 1.00 1.00 C ATOM 252 CD1 ILE A 16 21.421 -10.554 11.071 1.00 1.00 C ATOM 0 H ILE A 16 17.919 -10.869 11.358 1.00 1.00 H new ATOM 0 HA ILE A 16 20.083 -12.706 11.102 1.00 1.00 H new ATOM 0 HB ILE A 16 19.025 -11.172 13.462 1.00 1.00 H new ATOM 0 HG12 ILE A 16 19.560 -9.651 11.682 1.00 1.00 H new ATOM 0 HG13 ILE A 16 20.823 -9.567 12.894 1.00 1.00 H new ATOM 0 HG21 ILE A 16 21.282 -11.482 14.386 1.00 1.00 H new ATOM 0 HG22 ILE A 16 20.431 -13.029 14.165 1.00 1.00 H new ATOM 0 HG23 ILE A 16 21.695 -12.537 13.013 1.00 1.00 H new ATOM 0 HD11 ILE A 16 21.794 -9.635 10.618 1.00 1.00 H new ATOM 0 HD12 ILE A 16 22.248 -11.093 11.533 1.00 1.00 H new ATOM 0 HD13 ILE A 16 20.965 -11.178 10.302 1.00 1.00 H new ATOM 264 N LEU A 17 17.485 -13.663 12.920 1.00 1.00 N ATOM 265 CA LEU A 17 16.851 -14.825 13.519 1.00 1.00 C ATOM 266 C LEU A 17 16.664 -15.905 12.451 1.00 1.00 C ATOM 267 O LEU A 17 16.677 -17.093 12.806 1.00 1.00 O ATOM 268 CB LEU A 17 15.552 -14.423 14.221 1.00 1.00 C ATOM 269 CG LEU A 17 14.262 -14.666 13.436 1.00 1.00 C ATOM 270 CD1 LEU A 17 13.823 -16.128 13.541 1.00 1.00 C ATOM 271 CD2 LEU A 17 13.160 -13.703 13.880 1.00 1.00 C ATOM 0 H LEU A 17 16.933 -12.807 12.981 1.00 1.00 H new ATOM 0 HA LEU A 17 17.488 -15.250 14.295 1.00 1.00 H new ATOM 0 HB2 LEU A 17 15.488 -14.967 15.163 1.00 1.00 H new ATOM 0 HB3 LEU A 17 15.609 -13.363 14.468 1.00 1.00 H new ATOM 0 HG LEU A 17 14.460 -14.464 12.383 1.00 1.00 H new ATOM 0 HD11 LEU A 17 12.904 -16.273 12.974 1.00 1.00 H new ATOM 0 HD12 LEU A 17 14.604 -16.772 13.137 1.00 1.00 H new ATOM 0 HD13 LEU A 17 13.648 -16.381 14.587 1.00 1.00 H new ATOM 0 HD21 LEU A 17 12.254 -13.897 13.306 1.00 1.00 H new ATOM 0 HD22 LEU A 17 12.956 -13.848 14.941 1.00 1.00 H new ATOM 0 HD23 LEU A 17 13.484 -12.676 13.710 1.00 1.00 H new ATOM 283 N GLN A 18 16.497 -15.479 11.186 1.00 1.00 N ATOM 284 CA GLN A 18 16.310 -16.403 10.081 1.00 1.00 C ATOM 285 C GLN A 18 17.278 -17.578 10.235 1.00 1.00 C ATOM 286 O GLN A 18 16.906 -18.701 9.864 1.00 1.00 O ATOM 287 CB GLN A 18 16.499 -15.710 8.730 1.00 1.00 C ATOM 288 CG GLN A 18 15.482 -14.582 8.546 1.00 1.00 C ATOM 289 CD GLN A 18 14.074 -15.141 8.338 1.00 1.00 C ATOM 290 OE1 GLN A 18 13.644 -15.413 7.229 1.00 1.00 O ATOM 291 NE2 GLN A 18 13.382 -15.297 9.462 1.00 1.00 N ATOM 0 H GLN A 18 16.490 -14.496 10.915 1.00 1.00 H new ATOM 0 HA GLN A 18 15.286 -16.775 10.106 1.00 1.00 H new ATOM 0 HB2 GLN A 18 17.510 -15.308 8.662 1.00 1.00 H new ATOM 0 HB3 GLN A 18 16.390 -16.437 7.926 1.00 1.00 H new ATOM 0 HG2 GLN A 18 15.493 -13.931 9.421 1.00 1.00 H new ATOM 0 HG3 GLN A 18 15.764 -13.970 7.690 1.00 1.00 H new ATOM 0 HE21 GLN A 18 13.802 -15.049 10.358 1.00 1.00 H new ATOM 0 HE22 GLN A 18 12.431 -15.664 9.429 1.00 1.00 H new ATOM 300 N SER A 19 18.481 -17.301 10.769 1.00 1.00 N ATOM 301 CA SER A 19 19.490 -18.328 10.968 1.00 1.00 C ATOM 302 C SER A 19 19.649 -18.596 12.466 1.00 1.00 C ATOM 303 O SER A 19 20.321 -17.800 13.139 1.00 1.00 O ATOM 304 CB SER A 19 20.832 -17.920 10.356 1.00 1.00 C ATOM 305 OG SER A 19 20.694 -17.494 9.003 1.00 1.00 O ATOM 0 H SER A 19 18.768 -16.369 11.067 1.00 1.00 H new ATOM 0 HA SER A 19 19.163 -19.238 10.464 1.00 1.00 H new ATOM 0 HB2 SER A 19 21.270 -17.115 10.947 1.00 1.00 H new ATOM 0 HB3 SER A 19 21.523 -18.762 10.402 1.00 1.00 H new ATOM 0 HG SER A 19 21.301 -18.011 8.434 1.00 1.00 H new ATOM 311 N PRO A 20 19.040 -19.693 12.949 1.00 1.00 N ATOM 312 CA PRO A 20 19.093 -20.090 14.346 1.00 1.00 C ATOM 313 C PRO A 20 20.457 -20.688 14.695 1.00 1.00 C ATOM 314 O PRO A 20 20.581 -21.285 15.774 1.00 1.00 O ATOM 315 CB PRO A 20 17.950 -21.077 14.518 1.00 1.00 C ATOM 316 CG PRO A 20 17.593 -21.550 13.118 1.00 1.00 C ATOM 317 CD PRO A 20 18.256 -20.608 12.125 1.00 1.00 C ATOM 0 HA PRO A 20 18.980 -19.247 15.027 1.00 1.00 H new ATOM 0 HB2 PRO A 20 18.249 -21.914 15.149 1.00 1.00 H new ATOM 0 HB3 PRO A 20 17.095 -20.604 15.000 1.00 1.00 H new ATOM 0 HG2 PRO A 20 17.936 -22.573 12.961 1.00 1.00 H new ATOM 0 HG3 PRO A 20 16.512 -21.552 12.980 1.00 1.00 H new ATOM 0 HD2 PRO A 20 18.890 -21.153 11.425 1.00 1.00 H new ATOM 0 HD3 PRO A 20 17.515 -20.071 11.533 1.00 1.00 H new ATOM 325 N GLN A 21 21.438 -20.519 13.790 1.00 1.00 N ATOM 326 CA GLN A 21 22.778 -21.038 14.001 1.00 1.00 C ATOM 327 C GLN A 21 23.773 -19.876 14.019 1.00 1.00 C ATOM 328 O GLN A 21 24.085 -19.384 15.114 1.00 1.00 O ATOM 329 CB GLN A 21 23.157 -22.067 12.934 1.00 1.00 C ATOM 330 CG GLN A 21 23.166 -23.483 13.516 1.00 1.00 C ATOM 331 CD GLN A 21 22.555 -24.483 12.533 1.00 1.00 C ATOM 332 OE1 GLN A 21 22.297 -24.181 11.379 1.00 1.00 O ATOM 333 NE2 GLN A 21 22.337 -25.688 13.053 1.00 1.00 N ATOM 0 H GLN A 21 21.315 -20.024 12.907 1.00 1.00 H new ATOM 0 HA GLN A 21 22.806 -21.552 14.962 1.00 1.00 H new ATOM 0 HB2 GLN A 21 22.450 -22.015 12.106 1.00 1.00 H new ATOM 0 HB3 GLN A 21 24.141 -21.830 12.529 1.00 1.00 H new ATOM 0 HG2 GLN A 21 24.189 -23.777 13.751 1.00 1.00 H new ATOM 0 HG3 GLN A 21 22.607 -23.499 14.452 1.00 1.00 H new ATOM 0 HE21 GLN A 21 22.576 -25.874 14.027 1.00 1.00 H new ATOM 0 HE22 GLN A 21 21.931 -26.426 12.478 1.00 1.00 H new ATOM 342 N LYS A 22 24.245 -19.468 12.828 1.00 1.00 N ATOM 343 CA LYS A 22 25.195 -18.375 12.709 1.00 1.00 C ATOM 344 C LYS A 22 25.635 -18.244 11.250 1.00 1.00 C ATOM 345 O LYS A 22 26.830 -18.018 11.012 1.00 1.00 O ATOM 346 CB LYS A 22 26.357 -18.567 13.686 1.00 1.00 C ATOM 347 CG LYS A 22 27.138 -17.265 13.872 1.00 1.00 C ATOM 348 CD LYS A 22 27.268 -16.909 15.354 1.00 1.00 C ATOM 349 CE LYS A 22 28.257 -17.843 16.057 1.00 1.00 C ATOM 350 NZ LYS A 22 29.633 -17.563 15.615 1.00 1.00 N ATOM 0 H LYS A 22 23.976 -19.888 11.938 1.00 1.00 H new ATOM 0 HA LYS A 22 24.726 -17.431 12.987 1.00 1.00 H new ATOM 0 HB2 LYS A 22 25.975 -18.907 14.649 1.00 1.00 H new ATOM 0 HB3 LYS A 22 27.024 -19.345 13.315 1.00 1.00 H new ATOM 0 HG2 LYS A 22 28.129 -17.366 13.430 1.00 1.00 H new ATOM 0 HG3 LYS A 22 26.634 -16.456 13.343 1.00 1.00 H new ATOM 0 HD2 LYS A 22 27.602 -15.876 15.456 1.00 1.00 H new ATOM 0 HD3 LYS A 22 26.292 -16.977 15.835 1.00 1.00 H new ATOM 0 HE2 LYS A 22 28.182 -17.715 17.137 1.00 1.00 H new ATOM 0 HE3 LYS A 22 28.003 -18.881 15.841 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 30.049 -18.425 15.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 29.621 -16.812 14.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 30.203 -17.254 16.428 1.00 1.00 H new ATOM 364 N LYS A 23 24.676 -18.385 10.317 1.00 1.00 N ATOM 365 CA LYS A 23 24.963 -18.282 8.896 1.00 1.00 C ATOM 366 C LYS A 23 23.820 -17.540 8.201 1.00 1.00 C ATOM 367 O LYS A 23 22.741 -18.132 8.047 1.00 1.00 O ATOM 368 CB LYS A 23 25.247 -19.665 8.306 1.00 1.00 C ATOM 369 CG LYS A 23 26.752 -19.919 8.204 1.00 1.00 C ATOM 370 CD LYS A 23 27.044 -21.406 7.992 1.00 1.00 C ATOM 371 CE LYS A 23 27.353 -22.098 9.321 1.00 1.00 C ATOM 372 NZ LYS A 23 28.798 -22.060 9.599 1.00 1.00 N ATOM 0 H LYS A 23 23.697 -18.571 10.534 1.00 1.00 H new ATOM 0 HA LYS A 23 25.868 -17.698 8.732 1.00 1.00 H new ATOM 0 HB2 LYS A 23 24.787 -20.432 8.929 1.00 1.00 H new ATOM 0 HB3 LYS A 23 24.794 -19.743 7.318 1.00 1.00 H new ATOM 0 HG2 LYS A 23 27.167 -19.342 7.377 1.00 1.00 H new ATOM 0 HG3 LYS A 23 27.245 -19.574 9.113 1.00 1.00 H new ATOM 0 HD2 LYS A 23 26.187 -21.885 7.519 1.00 1.00 H new ATOM 0 HD3 LYS A 23 27.889 -21.521 7.313 1.00 1.00 H new ATOM 0 HE2 LYS A 23 26.809 -21.608 10.128 1.00 1.00 H new ATOM 0 HE3 LYS A 23 27.010 -23.132 9.287 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 28.990 -22.534 10.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 29.311 -22.548 8.837 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 29.115 -21.071 9.652 1.00 1.00 H new ATOM 386 N LEU A 24 24.073 -16.281 7.804 1.00 1.00 N ATOM 387 CA LEU A 24 23.072 -15.469 7.132 1.00 1.00 C ATOM 388 C LEU A 24 23.546 -15.153 5.712 1.00 1.00 C ATOM 389 O LEU A 24 24.620 -14.550 5.569 1.00 1.00 O ATOM 390 CB LEU A 24 22.746 -14.226 7.962 1.00 1.00 C ATOM 391 CG LEU A 24 21.930 -14.464 9.235 1.00 1.00 C ATOM 392 CD1 LEU A 24 22.501 -13.667 10.409 1.00 1.00 C ATOM 393 CD2 LEU A 24 20.449 -14.159 9.001 1.00 1.00 C ATOM 0 H LEU A 24 24.968 -15.812 7.942 1.00 1.00 H new ATOM 0 HA LEU A 24 22.135 -16.018 7.040 1.00 1.00 H new ATOM 0 HB2 LEU A 24 23.683 -13.743 8.240 1.00 1.00 H new ATOM 0 HB3 LEU A 24 22.201 -13.525 7.331 1.00 1.00 H new ATOM 0 HG LEU A 24 22.004 -15.520 9.497 1.00 1.00 H new ATOM 0 HD11 LEU A 24 21.903 -13.854 11.301 1.00 1.00 H new ATOM 0 HD12 LEU A 24 23.531 -13.975 10.591 1.00 1.00 H new ATOM 0 HD13 LEU A 24 22.477 -12.603 10.173 1.00 1.00 H new ATOM 0 HD21 LEU A 24 19.891 -14.336 9.921 1.00 1.00 H new ATOM 0 HD22 LEU A 24 20.335 -13.117 8.702 1.00 1.00 H new ATOM 0 HD23 LEU A 24 20.064 -14.806 8.213 1.00 1.00 H new ATOM 405 N THR A 25 22.750 -15.560 4.707 1.00 1.00 N ATOM 406 CA THR A 25 23.087 -15.322 3.314 1.00 1.00 C ATOM 407 C THR A 25 22.263 -14.144 2.789 1.00 1.00 C ATOM 408 O THR A 25 21.058 -14.323 2.559 1.00 1.00 O ATOM 409 CB THR A 25 22.864 -16.616 2.529 1.00 1.00 C ATOM 410 OG1 THR A 25 21.547 -17.021 2.894 1.00 1.00 O ATOM 411 CG2 THR A 25 23.755 -17.759 3.020 1.00 1.00 C ATOM 0 H THR A 25 21.869 -16.055 4.846 1.00 1.00 H new ATOM 0 HA THR A 25 24.135 -15.047 3.197 1.00 1.00 H new ATOM 0 HB THR A 25 23.054 -16.436 1.471 1.00 1.00 H new ATOM 0 HG1 THR A 25 20.958 -16.238 2.916 1.00 1.00 H new ATOM 0 HG21 THR A 25 23.557 -18.654 2.430 1.00 1.00 H new ATOM 0 HG22 THR A 25 24.802 -17.477 2.911 1.00 1.00 H new ATOM 0 HG23 THR A 25 23.541 -17.962 4.069 1.00 1.00 H new ATOM 419 N LEU A 26 22.918 -12.982 2.614 1.00 1.00 N ATOM 420 CA LEU A 26 22.251 -11.789 2.121 1.00 1.00 C ATOM 421 C LEU A 26 21.323 -12.169 0.965 1.00 1.00 C ATOM 422 O LEU A 26 20.250 -11.561 0.846 1.00 1.00 O ATOM 423 CB LEU A 26 23.276 -10.713 1.759 1.00 1.00 C ATOM 424 CG LEU A 26 22.743 -9.281 1.672 1.00 1.00 C ATOM 425 CD1 LEU A 26 23.769 -8.281 2.209 1.00 1.00 C ATOM 426 CD2 LEU A 26 22.308 -8.944 0.244 1.00 1.00 C ATOM 0 H LEU A 26 23.911 -12.856 2.811 1.00 1.00 H new ATOM 0 HA LEU A 26 21.627 -11.352 2.900 1.00 1.00 H new ATOM 0 HB2 LEU A 26 24.076 -10.738 2.499 1.00 1.00 H new ATOM 0 HB3 LEU A 26 23.722 -10.973 0.799 1.00 1.00 H new ATOM 0 HG LEU A 26 21.858 -9.206 2.305 1.00 1.00 H new ATOM 0 HD11 LEU A 26 23.366 -7.271 2.136 1.00 1.00 H new ATOM 0 HD12 LEU A 26 23.988 -8.509 3.252 1.00 1.00 H new ATOM 0 HD13 LEU A 26 24.685 -8.349 1.622 1.00 1.00 H new ATOM 0 HD21 LEU A 26 21.933 -7.921 0.210 1.00 1.00 H new ATOM 0 HD22 LEU A 26 23.160 -9.041 -0.428 1.00 1.00 H new ATOM 0 HD23 LEU A 26 21.520 -9.630 -0.068 1.00 1.00 H new ATOM 438 N SER A 27 21.748 -13.151 0.150 1.00 1.00 N ATOM 439 CA SER A 27 20.961 -13.605 -0.984 1.00 1.00 C ATOM 440 C SER A 27 19.599 -14.097 -0.490 1.00 1.00 C ATOM 441 O SER A 27 18.580 -13.687 -1.065 1.00 1.00 O ATOM 442 CB SER A 27 21.678 -14.715 -1.755 1.00 1.00 C ATOM 443 OG SER A 27 21.817 -15.901 -0.977 1.00 1.00 O ATOM 0 H SER A 27 22.636 -13.639 0.266 1.00 1.00 H new ATOM 0 HA SER A 27 20.824 -12.767 -1.668 1.00 1.00 H new ATOM 0 HB2 SER A 27 21.123 -14.941 -2.665 1.00 1.00 H new ATOM 0 HB3 SER A 27 22.664 -14.365 -2.062 1.00 1.00 H new ATOM 0 HG SER A 27 22.130 -16.633 -1.549 1.00 1.00 H new ATOM 449 N GLY A 28 19.608 -14.951 0.549 1.00 1.00 N ATOM 450 CA GLY A 28 18.382 -15.491 1.112 1.00 1.00 C ATOM 451 C GLY A 28 17.705 -14.420 1.970 1.00 1.00 C ATOM 452 O GLY A 28 16.515 -14.579 2.280 1.00 1.00 O ATOM 0 H GLY A 28 20.459 -15.276 1.009 1.00 1.00 H new ATOM 0 HA2 GLY A 28 17.712 -15.811 0.314 1.00 1.00 H new ATOM 0 HA3 GLY A 28 18.602 -16.371 1.716 1.00 1.00 H new ATOM 456 N ILE A 29 18.462 -13.368 2.329 1.00 1.00 N ATOM 457 CA ILE A 29 17.939 -12.284 3.142 1.00 1.00 C ATOM 458 C ILE A 29 17.119 -11.340 2.260 1.00 1.00 C ATOM 459 O ILE A 29 15.954 -11.084 2.594 1.00 1.00 O ATOM 460 CB ILE A 29 19.071 -11.589 3.901 1.00 1.00 C ATOM 461 CG1 ILE A 29 19.788 -12.567 4.833 1.00 1.00 C ATOM 462 CG2 ILE A 29 18.554 -10.358 4.649 1.00 1.00 C ATOM 463 CD1 ILE A 29 18.798 -13.547 5.466 1.00 1.00 C ATOM 0 H ILE A 29 19.440 -13.256 2.062 1.00 1.00 H new ATOM 0 HA ILE A 29 17.265 -12.672 3.906 1.00 1.00 H new ATOM 0 HB ILE A 29 19.805 -11.240 3.175 1.00 1.00 H new ATOM 0 HG12 ILE A 29 20.545 -13.118 4.275 1.00 1.00 H new ATOM 0 HG13 ILE A 29 20.309 -12.014 5.615 1.00 1.00 H new ATOM 0 HG21 ILE A 29 19.378 -9.882 5.180 1.00 1.00 H new ATOM 0 HG22 ILE A 29 18.126 -9.653 3.937 1.00 1.00 H new ATOM 0 HG23 ILE A 29 17.789 -10.661 5.364 1.00 1.00 H new ATOM 0 HD11 ILE A 29 19.334 -14.231 6.124 1.00 1.00 H new ATOM 0 HD12 ILE A 29 18.057 -12.994 6.043 1.00 1.00 H new ATOM 0 HD13 ILE A 29 18.297 -14.115 4.682 1.00 1.00 H new ATOM 475 N CYS A 30 17.735 -10.850 1.168 1.00 1.00 N ATOM 476 CA CYS A 30 17.067 -9.945 0.249 1.00 1.00 C ATOM 477 C CYS A 30 15.773 -10.593 -0.249 1.00 1.00 C ATOM 478 O CYS A 30 14.759 -9.887 -0.345 1.00 1.00 O ATOM 479 CB CYS A 30 17.989 -9.551 -0.906 1.00 1.00 C ATOM 480 SG CYS A 30 18.372 -10.895 -2.067 1.00 1.00 S ATOM 0 H CYS A 30 18.696 -11.074 0.911 1.00 1.00 H new ATOM 0 HA CYS A 30 16.813 -9.023 0.772 1.00 1.00 H new ATOM 0 HB2 CYS A 30 17.527 -8.733 -1.459 1.00 1.00 H new ATOM 0 HB3 CYS A 30 18.923 -9.169 -0.493 1.00 1.00 H new ATOM 0 HG CYS A 30 18.604 -11.989 -1.404 1.00 1.00 H new ATOM 486 N GLU A 31 15.833 -11.902 -0.550 1.00 1.00 N ATOM 487 CA GLU A 31 14.675 -12.635 -1.033 1.00 1.00 C ATOM 488 C GLU A 31 13.708 -12.875 0.128 1.00 1.00 C ATOM 489 O GLU A 31 12.500 -12.996 -0.125 1.00 1.00 O ATOM 490 CB GLU A 31 15.080 -13.956 -1.691 1.00 1.00 C ATOM 491 CG GLU A 31 15.176 -15.077 -0.655 1.00 1.00 C ATOM 492 CD GLU A 31 15.639 -16.384 -1.303 1.00 1.00 C ATOM 493 OE1 GLU A 31 16.600 -16.381 -2.086 1.00 1.00 O ATOM 494 OE2 GLU A 31 14.962 -17.429 -0.966 1.00 1.00 O ATOM 0 H GLU A 31 16.679 -12.465 -0.463 1.00 1.00 H new ATOM 0 HA GLU A 31 14.178 -12.038 -1.798 1.00 1.00 H new ATOM 0 HB2 GLU A 31 14.351 -14.224 -2.456 1.00 1.00 H new ATOM 0 HB3 GLU A 31 16.040 -13.837 -2.193 1.00 1.00 H new ATOM 0 HG2 GLU A 31 15.873 -14.791 0.133 1.00 1.00 H new ATOM 0 HG3 GLU A 31 14.205 -15.225 -0.183 1.00 1.00 H new ATOM 501 N PHE A 32 14.248 -12.937 1.359 1.00 1.00 N ATOM 502 CA PHE A 32 13.438 -13.160 2.545 1.00 1.00 C ATOM 503 C PHE A 32 12.516 -11.958 2.761 1.00 1.00 C ATOM 504 O PHE A 32 11.358 -12.166 3.150 1.00 1.00 O ATOM 505 CB PHE A 32 14.363 -13.365 3.760 1.00 1.00 C ATOM 506 CG PHE A 32 13.963 -12.581 5.002 1.00 1.00 C ATOM 507 CD1 PHE A 32 12.882 -13.015 5.804 1.00 1.00 C ATOM 508 CD2 PHE A 32 14.668 -11.407 5.357 1.00 1.00 C ATOM 509 CE1 PHE A 32 12.512 -12.283 6.952 1.00 1.00 C ATOM 510 CE2 PHE A 32 14.297 -10.676 6.505 1.00 1.00 C ATOM 511 CZ PHE A 32 13.219 -11.114 7.303 1.00 1.00 C ATOM 0 H PHE A 32 15.245 -12.834 1.546 1.00 1.00 H new ATOM 0 HA PHE A 32 12.824 -14.052 2.419 1.00 1.00 H new ATOM 0 HB2 PHE A 32 14.385 -14.426 4.008 1.00 1.00 H new ATOM 0 HB3 PHE A 32 15.378 -13.082 3.479 1.00 1.00 H new ATOM 0 HD1 PHE A 32 12.338 -13.909 5.537 1.00 1.00 H new ATOM 0 HD2 PHE A 32 15.493 -11.069 4.747 1.00 1.00 H new ATOM 0 HE1 PHE A 32 11.687 -12.618 7.563 1.00 1.00 H new ATOM 0 HE2 PHE A 32 14.838 -9.781 6.773 1.00 1.00 H new ATOM 0 HZ PHE A 32 12.935 -10.554 8.182 1.00 1.00 H new ATOM 521 N ILE A 33 13.039 -10.745 2.508 1.00 1.00 N ATOM 522 CA ILE A 33 12.269 -9.525 2.674 1.00 1.00 C ATOM 523 C ILE A 33 11.196 -9.452 1.586 1.00 1.00 C ATOM 524 O ILE A 33 10.010 -9.351 1.933 1.00 1.00 O ATOM 525 CB ILE A 33 13.194 -8.307 2.707 1.00 1.00 C ATOM 526 CG1 ILE A 33 13.699 -8.040 4.126 1.00 1.00 C ATOM 527 CG2 ILE A 33 12.508 -7.080 2.102 1.00 1.00 C ATOM 528 CD1 ILE A 33 15.136 -7.514 4.107 1.00 1.00 C ATOM 0 H ILE A 33 13.996 -10.596 2.187 1.00 1.00 H new ATOM 0 HA ILE A 33 11.752 -9.530 3.633 1.00 1.00 H new ATOM 0 HB ILE A 33 14.066 -8.524 2.091 1.00 1.00 H new ATOM 0 HG12 ILE A 33 13.049 -7.315 4.617 1.00 1.00 H new ATOM 0 HG13 ILE A 33 13.652 -8.958 4.711 1.00 1.00 H new ATOM 0 HG21 ILE A 33 13.188 -6.228 2.138 1.00 1.00 H new ATOM 0 HG22 ILE A 33 12.240 -7.287 1.066 1.00 1.00 H new ATOM 0 HG23 ILE A 33 11.607 -6.850 2.671 1.00 1.00 H new ATOM 0 HD11 ILE A 33 15.471 -7.332 5.128 1.00 1.00 H new ATOM 0 HD12 ILE A 33 15.787 -8.251 3.638 1.00 1.00 H new ATOM 0 HD13 ILE A 33 15.175 -6.583 3.541 1.00 1.00 H new ATOM 540 N SER A 34 11.625 -9.506 0.312 1.00 1.00 N ATOM 541 CA SER A 34 10.707 -9.447 -0.813 1.00 1.00 C ATOM 542 C SER A 34 9.509 -10.358 -0.537 1.00 1.00 C ATOM 543 O SER A 34 8.415 -10.061 -1.037 1.00 1.00 O ATOM 544 CB SER A 34 11.394 -9.854 -2.118 1.00 1.00 C ATOM 545 OG SER A 34 11.760 -11.231 -2.122 1.00 1.00 O ATOM 0 H SER A 34 12.606 -9.591 0.048 1.00 1.00 H new ATOM 0 HA SER A 34 10.367 -8.418 -0.929 1.00 1.00 H new ATOM 0 HB2 SER A 34 10.727 -9.654 -2.957 1.00 1.00 H new ATOM 0 HB3 SER A 34 12.284 -9.242 -2.265 1.00 1.00 H new ATOM 0 HG SER A 34 11.931 -11.527 -1.203 1.00 1.00 H new ATOM 551 N ASN A 35 9.736 -11.432 0.241 1.00 1.00 N ATOM 552 CA ASN A 35 8.683 -12.375 0.578 1.00 1.00 C ATOM 553 C ASN A 35 7.579 -11.646 1.347 1.00 1.00 C ATOM 554 O ASN A 35 6.399 -11.873 1.041 1.00 1.00 O ATOM 555 CB ASN A 35 9.216 -13.500 1.468 1.00 1.00 C ATOM 556 CG ASN A 35 10.291 -14.311 0.742 1.00 1.00 C ATOM 557 OD1 ASN A 35 10.459 -14.228 -0.464 1.00 1.00 O ATOM 558 ND2 ASN A 35 11.006 -15.098 1.540 1.00 1.00 N ATOM 0 H ASN A 35 10.646 -11.659 0.643 1.00 1.00 H new ATOM 0 HA ASN A 35 8.300 -12.800 -0.350 1.00 1.00 H new ATOM 0 HB2 ASN A 35 9.630 -13.079 2.384 1.00 1.00 H new ATOM 0 HB3 ASN A 35 8.396 -14.156 1.761 1.00 1.00 H new ATOM 0 HD21 ASN A 35 11.748 -15.680 1.151 1.00 1.00 H new ATOM 0 HD22 ASN A 35 10.813 -15.119 2.541 1.00 1.00 H new ATOM 565 N ARG A 36 7.977 -10.799 2.313 1.00 1.00 N ATOM 566 CA ARG A 36 7.027 -10.046 3.115 1.00 1.00 C ATOM 567 C ARG A 36 6.523 -8.847 2.309 1.00 1.00 C ATOM 568 O ARG A 36 5.320 -8.555 2.377 1.00 1.00 O ATOM 569 CB ARG A 36 7.659 -9.548 4.416 1.00 1.00 C ATOM 570 CG ARG A 36 8.130 -10.720 5.281 1.00 1.00 C ATOM 571 CD ARG A 36 6.940 -11.474 5.878 1.00 1.00 C ATOM 572 NE ARG A 36 7.319 -12.876 6.160 1.00 1.00 N ATOM 573 CZ ARG A 36 7.358 -13.852 5.227 1.00 1.00 C ATOM 574 NH1 ARG A 36 7.036 -13.553 3.961 1.00 1.00 N ATOM 575 NH2 ARG A 36 7.712 -15.100 5.563 1.00 1.00 N ATOM 0 H ARG A 36 8.954 -10.626 2.549 1.00 1.00 H new ATOM 0 HA ARG A 36 6.200 -10.709 3.371 1.00 1.00 H new ATOM 0 HB2 ARG A 36 8.503 -8.897 4.188 1.00 1.00 H new ATOM 0 HB3 ARG A 36 6.936 -8.950 4.970 1.00 1.00 H new ATOM 0 HG2 ARG A 36 8.732 -11.401 4.680 1.00 1.00 H new ATOM 0 HG3 ARG A 36 8.770 -10.351 6.082 1.00 1.00 H new ATOM 0 HD2 ARG A 36 6.613 -10.985 6.796 1.00 1.00 H new ATOM 0 HD3 ARG A 36 6.098 -11.448 5.186 1.00 1.00 H new ATOM 0 HE ARG A 36 7.566 -13.121 7.119 1.00 1.00 H new ATOM 0 HH11 ARG A 36 6.767 -12.601 3.715 1.00 1.00 H new ATOM 0 HH12 ARG A 36 7.060 -14.278 3.244 1.00 1.00 H new ATOM 0 HH21 ARG A 36 7.954 -15.319 6.529 1.00 1.00 H new ATOM 0 HH22 ARG A 36 7.739 -15.831 4.852 1.00 1.00 H new ATOM 589 N PHE A 37 7.437 -8.187 1.576 1.00 1.00 N ATOM 590 CA PHE A 37 7.087 -7.032 0.767 1.00 1.00 C ATOM 591 C PHE A 37 7.646 -7.216 -0.646 1.00 1.00 C ATOM 592 O PHE A 37 8.712 -6.653 -0.936 1.00 1.00 O ATOM 593 CB PHE A 37 7.662 -5.761 1.421 1.00 1.00 C ATOM 594 CG PHE A 37 8.158 -5.950 2.849 1.00 1.00 C ATOM 595 CD1 PHE A 37 9.282 -6.767 3.112 1.00 1.00 C ATOM 596 CD2 PHE A 37 7.490 -5.314 3.921 1.00 1.00 C ATOM 597 CE1 PHE A 37 9.736 -6.943 4.437 1.00 1.00 C ATOM 598 CE2 PHE A 37 7.945 -5.491 5.245 1.00 1.00 C ATOM 599 CZ PHE A 37 9.068 -6.305 5.503 1.00 1.00 C ATOM 0 H PHE A 37 8.423 -8.444 1.535 1.00 1.00 H new ATOM 0 HA PHE A 37 6.003 -6.932 0.703 1.00 1.00 H new ATOM 0 HB2 PHE A 37 8.487 -5.395 0.810 1.00 1.00 H new ATOM 0 HB3 PHE A 37 6.894 -4.987 1.417 1.00 1.00 H new ATOM 0 HD1 PHE A 37 9.794 -7.257 2.297 1.00 1.00 H new ATOM 0 HD2 PHE A 37 6.629 -4.691 3.726 1.00 1.00 H new ATOM 0 HE1 PHE A 37 10.595 -7.567 4.635 1.00 1.00 H new ATOM 0 HE2 PHE A 37 7.433 -5.003 6.061 1.00 1.00 H new ATOM 0 HZ PHE A 37 9.416 -6.440 6.516 1.00 1.00 H new ATOM 609 N PRO A 38 6.928 -7.987 -1.482 1.00 1.00 N ATOM 610 CA PRO A 38 7.319 -8.262 -2.854 1.00 1.00 C ATOM 611 C PRO A 38 7.067 -7.047 -3.749 1.00 1.00 C ATOM 612 O PRO A 38 7.751 -6.918 -4.775 1.00 1.00 O ATOM 613 CB PRO A 38 6.503 -9.479 -3.259 1.00 1.00 C ATOM 614 CG PRO A 38 5.353 -9.558 -2.269 1.00 1.00 C ATOM 615 CD PRO A 38 5.676 -8.636 -1.104 1.00 1.00 C ATOM 0 HA PRO A 38 8.385 -8.463 -2.956 1.00 1.00 H new ATOM 0 HB2 PRO A 38 6.134 -9.379 -4.280 1.00 1.00 H new ATOM 0 HB3 PRO A 38 7.109 -10.384 -3.226 1.00 1.00 H new ATOM 0 HG2 PRO A 38 4.419 -9.259 -2.745 1.00 1.00 H new ATOM 0 HG3 PRO A 38 5.220 -10.582 -1.920 1.00 1.00 H new ATOM 0 HD2 PRO A 38 4.883 -7.905 -0.946 1.00 1.00 H new ATOM 0 HD3 PRO A 38 5.784 -9.195 -0.175 1.00 1.00 H new ATOM 623 N TYR A 39 6.105 -6.195 -3.351 1.00 1.00 N ATOM 624 CA TYR A 39 5.814 -5.024 -4.160 1.00 1.00 C ATOM 625 C TYR A 39 6.827 -3.924 -3.841 1.00 1.00 C ATOM 626 O TYR A 39 6.914 -2.967 -4.624 1.00 1.00 O ATOM 627 CB TYR A 39 4.366 -4.559 -3.916 1.00 1.00 C ATOM 628 CG TYR A 39 4.003 -4.368 -2.450 1.00 1.00 C ATOM 629 CD1 TYR A 39 3.499 -5.449 -1.691 1.00 1.00 C ATOM 630 CD2 TYR A 39 4.164 -3.102 -1.841 1.00 1.00 C ATOM 631 CE1 TYR A 39 3.161 -5.266 -0.333 1.00 1.00 C ATOM 632 CE2 TYR A 39 3.826 -2.919 -0.484 1.00 1.00 C ATOM 633 CZ TYR A 39 3.325 -4.000 0.272 1.00 1.00 C ATOM 634 OH TYR A 39 3.000 -3.819 1.587 1.00 1.00 O ATOM 0 H TYR A 39 5.542 -6.297 -2.507 1.00 1.00 H new ATOM 0 HA TYR A 39 5.902 -5.270 -5.218 1.00 1.00 H new ATOM 0 HB2 TYR A 39 4.206 -3.618 -4.442 1.00 1.00 H new ATOM 0 HB3 TYR A 39 3.685 -5.289 -4.354 1.00 1.00 H new ATOM 0 HD1 TYR A 39 3.372 -6.418 -2.152 1.00 1.00 H new ATOM 0 HD2 TYR A 39 4.547 -2.273 -2.417 1.00 1.00 H new ATOM 0 HE1 TYR A 39 2.777 -6.094 0.244 1.00 1.00 H new ATOM 0 HE2 TYR A 39 3.951 -1.950 -0.023 1.00 1.00 H new ATOM 0 HH TYR A 39 3.175 -2.889 1.842 1.00 1.00 H new ATOM 644 N TYR A 40 7.553 -4.070 -2.718 1.00 1.00 N ATOM 645 CA TYR A 40 8.520 -3.047 -2.358 1.00 1.00 C ATOM 646 C TYR A 40 9.805 -3.261 -3.161 1.00 1.00 C ATOM 647 O TYR A 40 10.281 -2.291 -3.769 1.00 1.00 O ATOM 648 CB TYR A 40 8.781 -3.075 -0.841 1.00 1.00 C ATOM 649 CG TYR A 40 9.161 -1.728 -0.241 1.00 1.00 C ATOM 650 CD1 TYR A 40 10.327 -1.062 -0.682 1.00 1.00 C ATOM 651 CD2 TYR A 40 8.351 -1.134 0.754 1.00 1.00 C ATOM 652 CE1 TYR A 40 10.682 0.188 -0.131 1.00 1.00 C ATOM 653 CE2 TYR A 40 8.706 0.116 1.305 1.00 1.00 C ATOM 654 CZ TYR A 40 9.873 0.778 0.864 1.00 1.00 C ATOM 655 OH TYR A 40 10.221 1.987 1.395 1.00 1.00 O ATOM 0 H TYR A 40 7.486 -4.858 -2.074 1.00 1.00 H new ATOM 0 HA TYR A 40 8.127 -2.060 -2.602 1.00 1.00 H new ATOM 0 HB2 TYR A 40 7.887 -3.443 -0.338 1.00 1.00 H new ATOM 0 HB3 TYR A 40 9.579 -3.788 -0.635 1.00 1.00 H new ATOM 0 HD1 TYR A 40 10.948 -1.511 -1.443 1.00 1.00 H new ATOM 0 HD2 TYR A 40 7.458 -1.638 1.093 1.00 1.00 H new ATOM 0 HE1 TYR A 40 11.574 0.694 -0.471 1.00 1.00 H new ATOM 0 HE2 TYR A 40 8.085 0.567 2.065 1.00 1.00 H new ATOM 0 HH TYR A 40 9.558 2.253 2.066 1.00 1.00 H new ATOM 665 N ARG A 41 10.337 -4.497 -3.143 1.00 1.00 N ATOM 666 CA ARG A 41 11.559 -4.819 -3.859 1.00 1.00 C ATOM 667 C ARG A 41 11.379 -4.489 -5.342 1.00 1.00 C ATOM 668 O ARG A 41 12.354 -4.055 -5.972 1.00 1.00 O ATOM 669 CB ARG A 41 11.924 -6.298 -3.714 1.00 1.00 C ATOM 670 CG ARG A 41 10.691 -7.187 -3.888 1.00 1.00 C ATOM 671 CD ARG A 41 10.955 -8.299 -4.905 1.00 1.00 C ATOM 672 NE ARG A 41 10.833 -7.766 -6.280 1.00 1.00 N ATOM 673 CZ ARG A 41 10.655 -8.534 -7.376 1.00 1.00 C ATOM 674 NH1 ARG A 41 10.580 -9.865 -7.232 1.00 1.00 N ATOM 675 NH2 ARG A 41 10.553 -7.975 -8.589 1.00 1.00 N ATOM 0 H ARG A 41 9.929 -5.282 -2.636 1.00 1.00 H new ATOM 0 HA ARG A 41 12.367 -4.226 -3.431 1.00 1.00 H new ATOM 0 HB2 ARG A 41 12.677 -6.565 -4.456 1.00 1.00 H new ATOM 0 HB3 ARG A 41 12.367 -6.472 -2.733 1.00 1.00 H new ATOM 0 HG2 ARG A 41 10.416 -7.625 -2.928 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.846 -6.582 -4.217 1.00 1.00 H new ATOM 0 HD2 ARG A 41 11.952 -8.713 -4.754 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.246 -9.114 -4.758 1.00 1.00 H new ATOM 0 HE ARG A 41 10.887 -6.755 -6.408 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.657 -10.283 -6.305 1.00 1.00 H new ATOM 0 HH12 ARG A 41 10.446 -10.460 -8.050 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.610 -6.962 -8.690 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.419 -8.563 -9.412 1.00 1.00 H new ATOM 689 N GLU A 42 10.156 -4.697 -5.861 1.00 1.00 N ATOM 690 CA GLU A 42 9.854 -4.423 -7.256 1.00 1.00 C ATOM 691 C GLU A 42 9.514 -2.940 -7.418 1.00 1.00 C ATOM 692 O GLU A 42 9.352 -2.493 -8.563 1.00 1.00 O ATOM 693 CB GLU A 42 8.715 -5.306 -7.769 1.00 1.00 C ATOM 694 CG GLU A 42 7.412 -5.006 -7.026 1.00 1.00 C ATOM 695 CD GLU A 42 6.363 -4.419 -7.972 1.00 1.00 C ATOM 696 OE1 GLU A 42 6.420 -4.853 -9.186 1.00 1.00 O ATOM 697 OE2 GLU A 42 5.544 -3.588 -7.552 1.00 1.00 O ATOM 0 H GLU A 42 9.366 -5.055 -5.324 1.00 1.00 H new ATOM 0 HA GLU A 42 10.733 -4.659 -7.856 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.575 -5.141 -8.837 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.978 -6.356 -7.640 1.00 1.00 H new ATOM 0 HG2 GLU A 42 7.028 -5.921 -6.574 1.00 1.00 H new ATOM 0 HG3 GLU A 42 7.606 -4.306 -6.213 1.00 1.00 H new ATOM 704 N LYS A 43 9.413 -2.218 -6.287 1.00 1.00 N ATOM 705 CA LYS A 43 9.095 -0.800 -6.304 1.00 1.00 C ATOM 706 C LYS A 43 10.291 -0.007 -5.774 1.00 1.00 C ATOM 707 O LYS A 43 10.134 1.196 -5.519 1.00 1.00 O ATOM 708 CB LYS A 43 7.794 -0.534 -5.544 1.00 1.00 C ATOM 709 CG LYS A 43 6.586 -1.056 -6.324 1.00 1.00 C ATOM 710 CD LYS A 43 6.206 -0.095 -7.453 1.00 1.00 C ATOM 711 CE LYS A 43 4.690 0.106 -7.514 1.00 1.00 C ATOM 712 NZ LYS A 43 4.315 1.386 -6.891 1.00 1.00 N ATOM 0 H LYS A 43 9.550 -2.605 -5.353 1.00 1.00 H new ATOM 0 HA LYS A 43 8.916 -0.462 -7.324 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.835 -1.014 -4.566 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.683 0.536 -5.369 1.00 1.00 H new ATOM 0 HG2 LYS A 43 6.813 -2.038 -6.738 1.00 1.00 H new ATOM 0 HG3 LYS A 43 5.740 -1.183 -5.649 1.00 1.00 H new ATOM 0 HD2 LYS A 43 6.698 0.865 -7.299 1.00 1.00 H new ATOM 0 HD3 LYS A 43 6.563 -0.487 -8.405 1.00 1.00 H new ATOM 0 HE2 LYS A 43 4.356 0.088 -8.551 1.00 1.00 H new ATOM 0 HE3 LYS A 43 4.187 -0.715 -7.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 3.283 1.507 -6.941 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 4.617 1.389 -5.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 4.780 2.167 -7.396 1.00 1.00 H new ATOM 726 N PHE A 44 11.443 -0.684 -5.621 1.00 1.00 N ATOM 727 CA PHE A 44 12.651 -0.047 -5.126 1.00 1.00 C ATOM 728 C PHE A 44 13.776 -1.081 -5.054 1.00 1.00 C ATOM 729 O PHE A 44 14.192 -1.423 -3.937 1.00 1.00 O ATOM 730 CB PHE A 44 12.373 0.557 -3.736 1.00 1.00 C ATOM 731 CG PHE A 44 13.334 1.663 -3.319 1.00 1.00 C ATOM 732 CD1 PHE A 44 13.745 2.642 -4.254 1.00 1.00 C ATOM 733 CD2 PHE A 44 13.827 1.712 -1.995 1.00 1.00 C ATOM 734 CE1 PHE A 44 14.639 3.662 -3.866 1.00 1.00 C ATOM 735 CE2 PHE A 44 14.721 2.732 -1.608 1.00 1.00 C ATOM 736 CZ PHE A 44 15.127 3.708 -2.543 1.00 1.00 C ATOM 0 H PHE A 44 11.551 -1.675 -5.837 1.00 1.00 H new ATOM 0 HA PHE A 44 12.957 0.753 -5.800 1.00 1.00 H new ATOM 0 HB2 PHE A 44 11.357 0.953 -3.723 1.00 1.00 H new ATOM 0 HB3 PHE A 44 12.414 -0.240 -2.994 1.00 1.00 H new ATOM 0 HD1 PHE A 44 13.373 2.608 -5.267 1.00 1.00 H new ATOM 0 HD2 PHE A 44 13.518 0.966 -1.278 1.00 1.00 H new ATOM 0 HE1 PHE A 44 14.950 4.408 -4.582 1.00 1.00 H new ATOM 0 HE2 PHE A 44 15.095 2.766 -0.595 1.00 1.00 H new ATOM 0 HZ PHE A 44 15.811 4.490 -2.246 1.00 1.00 H new ATOM 746 N PRO A 45 14.237 -1.552 -6.226 1.00 1.00 N ATOM 747 CA PRO A 45 15.301 -2.536 -6.332 1.00 1.00 C ATOM 748 C PRO A 45 16.664 -1.905 -6.043 1.00 1.00 C ATOM 749 O PRO A 45 17.619 -2.653 -5.790 1.00 1.00 O ATOM 750 CB PRO A 45 15.189 -3.085 -7.745 1.00 1.00 C ATOM 751 CG PRO A 45 14.374 -2.066 -8.525 1.00 1.00 C ATOM 752 CD PRO A 45 13.722 -1.126 -7.524 1.00 1.00 C ATOM 0 HA PRO A 45 15.207 -3.337 -5.598 1.00 1.00 H new ATOM 0 HB2 PRO A 45 16.175 -3.220 -8.191 1.00 1.00 H new ATOM 0 HB3 PRO A 45 14.701 -4.060 -7.748 1.00 1.00 H new ATOM 0 HG2 PRO A 45 15.013 -1.510 -9.210 1.00 1.00 H new ATOM 0 HG3 PRO A 45 13.617 -2.565 -9.130 1.00 1.00 H new ATOM 0 HD2 PRO A 45 13.979 -0.087 -7.731 1.00 1.00 H new ATOM 0 HD3 PRO A 45 12.635 -1.199 -7.562 1.00 1.00 H new ATOM 760 N ALA A 46 16.726 -0.562 -6.084 1.00 1.00 N ATOM 761 CA ALA A 46 17.961 0.160 -5.828 1.00 1.00 C ATOM 762 C ALA A 46 18.339 0.008 -4.353 1.00 1.00 C ATOM 763 O ALA A 46 19.492 0.302 -4.006 1.00 1.00 O ATOM 764 CB ALA A 46 17.741 1.656 -6.062 1.00 1.00 C ATOM 0 H ALA A 46 15.927 0.036 -6.294 1.00 1.00 H new ATOM 0 HA ALA A 46 18.735 -0.236 -6.486 1.00 1.00 H new ATOM 0 HB1 ALA A 46 18.669 2.195 -5.869 1.00 1.00 H new ATOM 0 HB2 ALA A 46 17.433 1.821 -7.094 1.00 1.00 H new ATOM 0 HB3 ALA A 46 16.964 2.019 -5.389 1.00 1.00 H new ATOM 770 N TRP A 47 17.376 -0.440 -3.528 1.00 1.00 N ATOM 771 CA TRP A 47 17.606 -0.628 -2.106 1.00 1.00 C ATOM 772 C TRP A 47 18.241 -2.001 -1.873 1.00 1.00 C ATOM 773 O TRP A 47 18.424 -2.376 -0.706 1.00 1.00 O ATOM 774 CB TRP A 47 16.304 -0.432 -1.327 1.00 1.00 C ATOM 775 CG TRP A 47 15.384 -1.654 -1.334 1.00 1.00 C ATOM 776 CD1 TRP A 47 15.290 -2.611 -2.269 1.00 1.00 C ATOM 777 CD2 TRP A 47 14.425 -2.015 -0.318 1.00 1.00 C ATOM 778 NE1 TRP A 47 14.345 -3.557 -1.930 1.00 1.00 N ATOM 779 CE2 TRP A 47 13.802 -3.184 -0.706 1.00 1.00 C ATOM 780 CE3 TRP A 47 14.095 -1.375 0.889 1.00 1.00 C ATOM 781 CZ2 TRP A 47 12.811 -3.814 0.056 1.00 1.00 C ATOM 782 CZ3 TRP A 47 13.102 -2.017 1.640 1.00 1.00 C ATOM 783 CH2 TRP A 47 12.466 -3.194 1.263 1.00 1.00 C ATOM 0 H TRP A 47 16.432 -0.676 -3.834 1.00 1.00 H new ATOM 0 HA TRP A 47 18.303 0.122 -1.734 1.00 1.00 H new ATOM 0 HB2 TRP A 47 16.545 -0.178 -0.295 1.00 1.00 H new ATOM 0 HB3 TRP A 47 15.766 0.418 -1.747 1.00 1.00 H new ATOM 0 HD1 TRP A 47 15.880 -2.638 -3.173 1.00 1.00 H new ATOM 0 HE1 TRP A 47 14.091 -4.380 -2.477 1.00 1.00 H new ATOM 0 HE3 TRP A 47 14.570 -0.460 1.212 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 12.338 -4.729 -0.270 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 12.810 -1.566 2.577 1.00 1.00 H new ATOM 0 HH2 TRP A 47 11.709 -3.629 1.899 1.00 1.00 H new ATOM 794 N GLN A 48 18.557 -2.712 -2.970 1.00 1.00 N ATOM 795 CA GLN A 48 19.164 -4.029 -2.886 1.00 1.00 C ATOM 796 C GLN A 48 20.455 -3.940 -2.070 1.00 1.00 C ATOM 797 O GLN A 48 20.642 -4.770 -1.168 1.00 1.00 O ATOM 798 CB GLN A 48 19.433 -4.614 -4.274 1.00 1.00 C ATOM 799 CG GLN A 48 18.421 -5.711 -4.612 1.00 1.00 C ATOM 800 CD GLN A 48 18.980 -7.095 -4.277 1.00 1.00 C ATOM 801 OE1 GLN A 48 18.625 -7.715 -3.288 1.00 1.00 O ATOM 802 NE2 GLN A 48 19.874 -7.544 -5.155 1.00 1.00 N ATOM 0 H GLN A 48 18.397 -2.385 -3.923 1.00 1.00 H new ATOM 0 HA GLN A 48 18.468 -4.703 -2.387 1.00 1.00 H new ATOM 0 HB2 GLN A 48 19.381 -3.823 -5.022 1.00 1.00 H new ATOM 0 HB3 GLN A 48 20.443 -5.022 -4.311 1.00 1.00 H new ATOM 0 HG2 GLN A 48 17.498 -5.543 -4.056 1.00 1.00 H new ATOM 0 HG3 GLN A 48 18.168 -5.664 -5.671 1.00 1.00 H new ATOM 0 HE21 GLN A 48 20.127 -6.974 -5.962 1.00 1.00 H new ATOM 0 HE22 GLN A 48 20.306 -8.458 -5.021 1.00 1.00 H new ATOM 811 N ASN A 49 21.306 -2.950 -2.395 1.00 1.00 N ATOM 812 CA ASN A 49 22.566 -2.757 -1.697 1.00 1.00 C ATOM 813 C ASN A 49 22.313 -1.976 -0.406 1.00 1.00 C ATOM 814 O ASN A 49 23.113 -2.112 0.532 1.00 1.00 O ATOM 815 CB ASN A 49 23.551 -1.955 -2.550 1.00 1.00 C ATOM 816 CG ASN A 49 24.832 -1.653 -1.770 1.00 1.00 C ATOM 817 OD1 ASN A 49 24.876 -0.793 -0.907 1.00 1.00 O ATOM 818 ND2 ASN A 49 25.869 -2.408 -2.122 1.00 1.00 N ATOM 0 H ASN A 49 21.133 -2.276 -3.140 1.00 1.00 H new ATOM 0 HA ASN A 49 22.989 -3.739 -1.486 1.00 1.00 H new ATOM 0 HB2 ASN A 49 23.794 -2.514 -3.453 1.00 1.00 H new ATOM 0 HB3 ASN A 49 23.086 -1.022 -2.868 1.00 1.00 H new ATOM 0 HD21 ASN A 49 26.770 -2.284 -1.660 1.00 1.00 H new ATOM 0 HD22 ASN A 49 25.763 -3.111 -2.854 1.00 1.00 H new ATOM 825 N SER A 50 21.225 -1.186 -0.383 1.00 1.00 N ATOM 826 CA SER A 50 20.874 -0.392 0.783 1.00 1.00 C ATOM 827 C SER A 50 20.734 -1.312 1.997 1.00 1.00 C ATOM 828 O SER A 50 21.347 -1.018 3.034 1.00 1.00 O ATOM 829 CB SER A 50 19.579 0.390 0.558 1.00 1.00 C ATOM 830 OG SER A 50 19.397 1.414 1.532 1.00 1.00 O ATOM 0 H SER A 50 20.579 -1.088 -1.166 1.00 1.00 H new ATOM 0 HA SER A 50 21.668 0.333 0.960 1.00 1.00 H new ATOM 0 HB2 SER A 50 19.592 0.835 -0.437 1.00 1.00 H new ATOM 0 HB3 SER A 50 18.732 -0.295 0.590 1.00 1.00 H new ATOM 0 HG SER A 50 18.560 1.891 1.353 1.00 1.00 H new ATOM 836 N ILE A 51 19.944 -2.390 1.849 1.00 1.00 N ATOM 837 CA ILE A 51 19.729 -3.342 2.926 1.00 1.00 C ATOM 838 C ILE A 51 21.076 -3.911 3.375 1.00 1.00 C ATOM 839 O ILE A 51 21.274 -4.069 4.588 1.00 1.00 O ATOM 840 CB ILE A 51 18.720 -4.411 2.502 1.00 1.00 C ATOM 841 CG1 ILE A 51 19.263 -5.249 1.343 1.00 1.00 C ATOM 842 CG2 ILE A 51 17.364 -3.785 2.171 1.00 1.00 C ATOM 843 CD1 ILE A 51 18.467 -6.546 1.184 1.00 1.00 C ATOM 0 H ILE A 51 19.447 -2.614 0.987 1.00 1.00 H new ATOM 0 HA ILE A 51 19.289 -2.846 3.791 1.00 1.00 H new ATOM 0 HB ILE A 51 18.565 -5.087 3.343 1.00 1.00 H new ATOM 0 HG12 ILE A 51 19.215 -4.673 0.419 1.00 1.00 H new ATOM 0 HG13 ILE A 51 20.313 -5.482 1.519 1.00 1.00 H new ATOM 0 HG21 ILE A 51 16.665 -4.567 1.873 1.00 1.00 H new ATOM 0 HG22 ILE A 51 16.977 -3.269 3.050 1.00 1.00 H new ATOM 0 HG23 ILE A 51 17.482 -3.073 1.354 1.00 1.00 H new ATOM 0 HD11 ILE A 51 18.874 -7.123 0.353 1.00 1.00 H new ATOM 0 HD12 ILE A 51 18.538 -7.131 2.101 1.00 1.00 H new ATOM 0 HD13 ILE A 51 17.422 -6.309 0.984 1.00 1.00 H new ATOM 855 N ARG A 52 21.960 -4.202 2.404 1.00 1.00 N ATOM 856 CA ARG A 52 23.274 -4.747 2.698 1.00 1.00 C ATOM 857 C ARG A 52 24.045 -3.763 3.581 1.00 1.00 C ATOM 858 O ARG A 52 24.620 -4.200 4.589 1.00 1.00 O ATOM 859 CB ARG A 52 24.075 -5.010 1.421 1.00 1.00 C ATOM 860 CG ARG A 52 25.488 -5.495 1.749 1.00 1.00 C ATOM 861 CD ARG A 52 26.409 -5.364 0.534 1.00 1.00 C ATOM 862 NE ARG A 52 26.542 -6.673 -0.143 1.00 1.00 N ATOM 863 CZ ARG A 52 26.991 -6.829 -1.407 1.00 1.00 C ATOM 864 NH1 ARG A 52 27.342 -5.744 -2.110 1.00 1.00 N ATOM 865 NH2 ARG A 52 27.083 -8.050 -1.950 1.00 1.00 N ATOM 0 H ARG A 52 21.776 -4.064 1.410 1.00 1.00 H new ATOM 0 HA ARG A 52 23.136 -5.697 3.214 1.00 1.00 H new ATOM 0 HB2 ARG A 52 23.563 -5.756 0.814 1.00 1.00 H new ATOM 0 HB3 ARG A 52 24.129 -4.098 0.827 1.00 1.00 H new ATOM 0 HG2 ARG A 52 25.891 -4.916 2.580 1.00 1.00 H new ATOM 0 HG3 ARG A 52 25.453 -6.535 2.073 1.00 1.00 H new ATOM 0 HD2 ARG A 52 26.007 -4.626 -0.160 1.00 1.00 H new ATOM 0 HD3 ARG A 52 27.390 -5.006 0.847 1.00 1.00 H new ATOM 0 HE ARG A 52 26.278 -7.510 0.377 1.00 1.00 H new ATOM 0 HH11 ARG A 52 27.268 -4.818 -1.689 1.00 1.00 H new ATOM 0 HH12 ARG A 52 27.683 -5.844 -3.066 1.00 1.00 H new ATOM 0 HH21 ARG A 52 26.813 -8.871 -1.408 1.00 1.00 H new ATOM 0 HH22 ARG A 52 27.423 -8.159 -2.905 1.00 1.00 H new ATOM 879 N HIS A 53 24.041 -2.476 3.192 1.00 1.00 N ATOM 880 CA HIS A 53 24.735 -1.443 3.943 1.00 1.00 C ATOM 881 C HIS A 53 24.270 -1.478 5.400 1.00 1.00 C ATOM 882 O HIS A 53 25.129 -1.541 6.292 1.00 1.00 O ATOM 883 CB HIS A 53 24.543 -0.071 3.293 1.00 1.00 C ATOM 884 CG HIS A 53 23.590 0.834 4.037 1.00 1.00 C ATOM 885 ND1 HIS A 53 23.870 1.348 5.291 1.00 1.00 N ATOM 886 CD2 HIS A 53 22.360 1.311 3.691 1.00 1.00 C ATOM 887 CE1 HIS A 53 22.847 2.098 5.673 1.00 1.00 C ATOM 888 NE2 HIS A 53 21.912 2.073 4.680 1.00 1.00 N ATOM 0 H HIS A 53 23.561 -2.137 2.359 1.00 1.00 H new ATOM 0 HA HIS A 53 25.808 -1.636 3.930 1.00 1.00 H new ATOM 0 HB2 HIS A 53 25.512 0.422 3.217 1.00 1.00 H new ATOM 0 HB3 HIS A 53 24.176 -0.210 2.276 1.00 1.00 H new ATOM 0 HD2 HIS A 53 21.839 1.103 2.768 1.00 1.00 H new ATOM 0 HE1 HIS A 53 22.767 2.635 6.607 1.00 1.00 H new ATOM 0 HE2 HIS A 53 21.016 2.560 4.695 1.00 1.00 H new ATOM 896 N ASN A 54 22.942 -1.438 5.610 1.00 1.00 N ATOM 897 CA ASN A 54 22.372 -1.465 6.946 1.00 1.00 C ATOM 898 C ASN A 54 22.586 -2.851 7.559 1.00 1.00 C ATOM 899 O ASN A 54 22.638 -2.948 8.794 1.00 1.00 O ATOM 900 CB ASN A 54 20.867 -1.193 6.909 1.00 1.00 C ATOM 901 CG ASN A 54 20.383 -0.604 8.236 1.00 1.00 C ATOM 902 OD1 ASN A 54 19.869 -1.295 9.100 1.00 1.00 O ATOM 903 ND2 ASN A 54 20.576 0.707 8.348 1.00 1.00 N ATOM 0 H ASN A 54 22.251 -1.387 4.861 1.00 1.00 H new ATOM 0 HA ASN A 54 22.864 -0.693 7.538 1.00 1.00 H new ATOM 0 HB2 ASN A 54 20.638 -0.504 6.096 1.00 1.00 H new ATOM 0 HB3 ASN A 54 20.331 -2.119 6.701 1.00 1.00 H new ATOM 0 HD21 ASN A 54 20.287 1.194 9.196 1.00 1.00 H new ATOM 0 HD22 ASN A 54 21.013 1.225 7.586 1.00 1.00 H new ATOM 910 N LEU A 55 22.704 -3.878 6.699 1.00 1.00 N ATOM 911 CA LEU A 55 22.911 -5.243 7.153 1.00 1.00 C ATOM 912 C LEU A 55 24.142 -5.293 8.060 1.00 1.00 C ATOM 913 O LEU A 55 24.023 -5.793 9.188 1.00 1.00 O ATOM 914 CB LEU A 55 22.986 -6.198 5.960 1.00 1.00 C ATOM 915 CG LEU A 55 22.198 -7.503 6.095 1.00 1.00 C ATOM 916 CD1 LEU A 55 22.389 -8.118 7.482 1.00 1.00 C ATOM 917 CD2 LEU A 55 20.721 -7.287 5.761 1.00 1.00 C ATOM 0 H LEU A 55 22.658 -3.776 5.685 1.00 1.00 H new ATOM 0 HA LEU A 55 22.063 -5.580 7.749 1.00 1.00 H new ATOM 0 HB2 LEU A 55 22.629 -5.671 5.075 1.00 1.00 H new ATOM 0 HB3 LEU A 55 24.033 -6.445 5.783 1.00 1.00 H new ATOM 0 HG LEU A 55 22.591 -8.217 5.371 1.00 1.00 H new ATOM 0 HD11 LEU A 55 21.818 -9.044 7.551 1.00 1.00 H new ATOM 0 HD12 LEU A 55 23.446 -8.330 7.644 1.00 1.00 H new ATOM 0 HD13 LEU A 55 22.039 -7.419 8.241 1.00 1.00 H new ATOM 0 HD21 LEU A 55 20.183 -8.229 5.864 1.00 1.00 H new ATOM 0 HD22 LEU A 55 20.297 -6.550 6.444 1.00 1.00 H new ATOM 0 HD23 LEU A 55 20.629 -6.927 4.736 1.00 1.00 H new ATOM 929 N SER A 56 25.281 -4.783 7.558 1.00 1.00 N ATOM 930 CA SER A 56 26.519 -4.771 8.319 1.00 1.00 C ATOM 931 C SER A 56 26.485 -3.616 9.322 1.00 1.00 C ATOM 932 O SER A 56 27.181 -3.702 10.344 1.00 1.00 O ATOM 933 CB SER A 56 27.737 -4.641 7.402 1.00 1.00 C ATOM 934 OG SER A 56 28.870 -4.118 8.091 1.00 1.00 O ATOM 0 H SER A 56 25.358 -4.376 6.626 1.00 1.00 H new ATOM 0 HA SER A 56 26.608 -5.718 8.851 1.00 1.00 H new ATOM 0 HB2 SER A 56 27.984 -5.618 6.987 1.00 1.00 H new ATOM 0 HB3 SER A 56 27.491 -3.991 6.562 1.00 1.00 H new ATOM 0 HG SER A 56 29.627 -4.052 7.472 1.00 1.00 H new ATOM 940 N LEU A 57 25.688 -2.576 9.016 1.00 1.00 N ATOM 941 CA LEU A 57 25.566 -1.418 9.885 1.00 1.00 C ATOM 942 C LEU A 57 24.539 -1.713 10.980 1.00 1.00 C ATOM 943 O LEU A 57 24.004 -0.756 11.559 1.00 1.00 O ATOM 944 CB LEU A 57 25.250 -0.165 9.066 1.00 1.00 C ATOM 945 CG LEU A 57 26.355 0.891 9.000 1.00 1.00 C ATOM 946 CD1 LEU A 57 27.434 0.492 7.992 1.00 1.00 C ATOM 947 CD2 LEU A 57 25.775 2.275 8.702 1.00 1.00 C ATOM 0 H LEU A 57 25.122 -2.525 8.169 1.00 1.00 H new ATOM 0 HA LEU A 57 26.514 -1.214 10.384 1.00 1.00 H new ATOM 0 HB2 LEU A 57 25.007 -0.472 8.049 1.00 1.00 H new ATOM 0 HB3 LEU A 57 24.355 0.300 9.481 1.00 1.00 H new ATOM 0 HG LEU A 57 26.833 0.947 9.978 1.00 1.00 H new ATOM 0 HD11 LEU A 57 28.208 1.259 7.964 1.00 1.00 H new ATOM 0 HD12 LEU A 57 27.876 -0.459 8.290 1.00 1.00 H new ATOM 0 HD13 LEU A 57 26.988 0.391 7.003 1.00 1.00 H new ATOM 0 HD21 LEU A 57 26.582 3.007 8.661 1.00 1.00 H new ATOM 0 HD22 LEU A 57 25.256 2.253 7.744 1.00 1.00 H new ATOM 0 HD23 LEU A 57 25.074 2.553 9.489 1.00 1.00 H new ATOM 959 N ASN A 58 24.290 -3.009 11.238 1.00 1.00 N ATOM 960 CA ASN A 58 23.337 -3.422 12.254 1.00 1.00 C ATOM 961 C ASN A 58 24.085 -4.096 13.406 1.00 1.00 C ATOM 962 O ASN A 58 24.409 -3.405 14.383 1.00 1.00 O ATOM 963 CB ASN A 58 22.332 -4.429 11.690 1.00 1.00 C ATOM 964 CG ASN A 58 20.964 -3.778 11.477 1.00 1.00 C ATOM 965 OD1 ASN A 58 20.245 -3.465 12.411 1.00 1.00 O ATOM 966 ND2 ASN A 58 20.646 -3.593 10.199 1.00 1.00 N ATOM 0 H ASN A 58 24.743 -3.782 10.749 1.00 1.00 H new ATOM 0 HA ASN A 58 22.805 -2.535 12.597 1.00 1.00 H new ATOM 0 HB2 ASN A 58 22.701 -4.826 10.744 1.00 1.00 H new ATOM 0 HB3 ASN A 58 22.235 -5.273 12.373 1.00 1.00 H new ATOM 0 HD21 ASN A 58 19.753 -3.166 9.952 1.00 1.00 H new ATOM 0 HD22 ASN A 58 21.295 -3.878 9.466 1.00 1.00 H new ATOM 973 N ASP A 59 24.341 -5.410 13.271 1.00 1.00 N ATOM 974 CA ASP A 59 25.044 -6.166 14.293 1.00 1.00 C ATOM 975 C ASP A 59 26.552 -6.008 14.090 1.00 1.00 C ATOM 976 O ASP A 59 27.301 -6.201 15.060 1.00 1.00 O ATOM 977 CB ASP A 59 24.709 -7.656 14.204 1.00 1.00 C ATOM 978 CG ASP A 59 23.215 -7.979 14.123 1.00 1.00 C ATOM 979 OD1 ASP A 59 22.426 -7.210 13.554 1.00 1.00 O ATOM 980 OD2 ASP A 59 22.866 -9.087 14.683 1.00 1.00 O ATOM 0 H ASP A 59 24.066 -5.961 12.458 1.00 1.00 H new ATOM 0 HA ASP A 59 24.736 -5.785 15.267 1.00 1.00 H new ATOM 0 HB2 ASP A 59 25.204 -8.073 13.326 1.00 1.00 H new ATOM 0 HB3 ASP A 59 25.128 -8.160 15.075 1.00 1.00 H new ATOM 985 N CYS A 60 26.962 -5.666 12.856 1.00 1.00 N ATOM 986 CA CYS A 60 28.367 -5.485 12.533 1.00 1.00 C ATOM 987 C CYS A 60 29.044 -6.854 12.434 1.00 1.00 C ATOM 988 O CYS A 60 30.171 -6.991 12.931 1.00 1.00 O ATOM 989 CB CYS A 60 29.056 -4.581 13.557 1.00 1.00 C ATOM 990 SG CYS A 60 29.087 -2.818 13.118 1.00 1.00 S ATOM 0 H CYS A 60 26.329 -5.512 12.071 1.00 1.00 H new ATOM 0 HA CYS A 60 28.454 -4.985 11.568 1.00 1.00 H new ATOM 0 HB2 CYS A 60 28.552 -4.693 14.517 1.00 1.00 H new ATOM 0 HB3 CYS A 60 30.081 -4.925 13.693 1.00 1.00 H new ATOM 0 HG CYS A 60 28.443 -2.637 12.003 1.00 1.00 H new ATOM 996 N PHE A 61 28.354 -7.822 11.805 1.00 1.00 N ATOM 997 CA PHE A 61 28.885 -9.165 11.644 1.00 1.00 C ATOM 998 C PHE A 61 29.917 -9.169 10.515 1.00 1.00 C ATOM 999 O PHE A 61 30.193 -8.093 9.964 1.00 1.00 O ATOM 1000 CB PHE A 61 27.729 -10.134 11.331 1.00 1.00 C ATOM 1001 CG PHE A 61 26.429 -9.458 10.915 1.00 1.00 C ATOM 1002 CD1 PHE A 61 26.378 -8.689 9.730 1.00 1.00 C ATOM 1003 CD2 PHE A 61 25.265 -9.600 11.706 1.00 1.00 C ATOM 1004 CE1 PHE A 61 25.174 -8.065 9.340 1.00 1.00 C ATOM 1005 CE2 PHE A 61 24.061 -8.976 11.315 1.00 1.00 C ATOM 1006 CZ PHE A 61 24.015 -8.208 10.132 1.00 1.00 C ATOM 0 H PHE A 61 27.426 -7.687 11.403 1.00 1.00 H new ATOM 0 HA PHE A 61 29.373 -9.489 12.563 1.00 1.00 H new ATOM 0 HB2 PHE A 61 28.043 -10.808 10.534 1.00 1.00 H new ATOM 0 HB3 PHE A 61 27.538 -10.748 12.211 1.00 1.00 H new ATOM 0 HD1 PHE A 61 27.263 -8.579 9.121 1.00 1.00 H new ATOM 0 HD2 PHE A 61 25.298 -10.188 12.612 1.00 1.00 H new ATOM 0 HE1 PHE A 61 25.140 -7.477 8.434 1.00 1.00 H new ATOM 0 HE2 PHE A 61 23.174 -9.086 11.922 1.00 1.00 H new ATOM 0 HZ PHE A 61 23.094 -7.730 9.833 1.00 1.00 H new ATOM 1016 N VAL A 62 30.459 -10.358 10.198 1.00 1.00 N ATOM 1017 CA VAL A 62 31.451 -10.497 9.145 1.00 1.00 C ATOM 1018 C VAL A 62 30.822 -11.218 7.951 1.00 1.00 C ATOM 1019 O VAL A 62 30.258 -12.304 8.148 1.00 1.00 O ATOM 1020 CB VAL A 62 32.693 -11.207 9.686 1.00 1.00 C ATOM 1021 CG1 VAL A 62 32.564 -12.724 9.540 1.00 1.00 C ATOM 1022 CG2 VAL A 62 33.960 -10.695 8.998 1.00 1.00 C ATOM 0 H VAL A 62 30.218 -11.233 10.664 1.00 1.00 H new ATOM 0 HA VAL A 62 31.779 -9.517 8.798 1.00 1.00 H new ATOM 0 HB VAL A 62 32.774 -10.979 10.749 1.00 1.00 H new ATOM 0 HG11 VAL A 62 33.460 -13.205 9.932 1.00 1.00 H new ATOM 0 HG12 VAL A 62 31.693 -13.070 10.097 1.00 1.00 H new ATOM 0 HG13 VAL A 62 32.446 -12.979 8.487 1.00 1.00 H new ATOM 0 HG21 VAL A 62 34.829 -11.216 9.401 1.00 1.00 H new ATOM 0 HG22 VAL A 62 33.892 -10.879 7.926 1.00 1.00 H new ATOM 0 HG23 VAL A 62 34.064 -9.625 9.177 1.00 1.00 H new ATOM 1032 N LYS A 63 30.931 -10.611 6.756 1.00 1.00 N ATOM 1033 CA LYS A 63 30.377 -11.191 5.544 1.00 1.00 C ATOM 1034 C LYS A 63 31.517 -11.566 4.596 1.00 1.00 C ATOM 1035 O LYS A 63 32.564 -10.903 4.641 1.00 1.00 O ATOM 1036 CB LYS A 63 29.344 -10.249 4.922 1.00 1.00 C ATOM 1037 CG LYS A 63 29.975 -8.899 4.573 1.00 1.00 C ATOM 1038 CD LYS A 63 29.343 -7.771 5.391 1.00 1.00 C ATOM 1039 CE LYS A 63 29.632 -6.408 4.759 1.00 1.00 C ATOM 1040 NZ LYS A 63 28.882 -6.254 3.502 1.00 1.00 N ATOM 0 H LYS A 63 31.401 -9.717 6.615 1.00 1.00 H new ATOM 0 HA LYS A 63 29.838 -12.110 5.774 1.00 1.00 H new ATOM 0 HB2 LYS A 63 28.927 -10.703 4.023 1.00 1.00 H new ATOM 0 HB3 LYS A 63 28.517 -10.100 5.617 1.00 1.00 H new ATOM 0 HG2 LYS A 63 31.048 -8.935 4.764 1.00 1.00 H new ATOM 0 HG3 LYS A 63 29.847 -8.698 3.509 1.00 1.00 H new ATOM 0 HD2 LYS A 63 28.266 -7.924 5.457 1.00 1.00 H new ATOM 0 HD3 LYS A 63 29.731 -7.794 6.409 1.00 1.00 H new ATOM 0 HE2 LYS A 63 29.358 -5.613 5.453 1.00 1.00 H new ATOM 0 HE3 LYS A 63 30.700 -6.309 4.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 28.721 -5.244 3.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 29.427 -6.668 2.719 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 27.967 -6.741 3.582 1.00 1.00 H new ATOM 1054 N ILE A 64 31.297 -12.605 3.770 1.00 1.00 N ATOM 1055 CA ILE A 64 32.299 -13.061 2.822 1.00 1.00 C ATOM 1056 C ILE A 64 31.974 -12.503 1.434 1.00 1.00 C ATOM 1057 O ILE A 64 31.025 -12.998 0.808 1.00 1.00 O ATOM 1058 CB ILE A 64 32.418 -14.586 2.859 1.00 1.00 C ATOM 1059 CG1 ILE A 64 31.077 -15.248 2.535 1.00 1.00 C ATOM 1060 CG2 ILE A 64 32.982 -15.059 4.200 1.00 1.00 C ATOM 1061 CD1 ILE A 64 31.091 -15.857 1.132 1.00 1.00 C ATOM 0 H ILE A 64 30.428 -13.138 3.749 1.00 1.00 H new ATOM 0 HA ILE A 64 33.283 -12.681 3.097 1.00 1.00 H new ATOM 0 HB ILE A 64 33.123 -14.893 2.087 1.00 1.00 H new ATOM 0 HG12 ILE A 64 30.864 -16.024 3.270 1.00 1.00 H new ATOM 0 HG13 ILE A 64 30.277 -14.511 2.608 1.00 1.00 H new ATOM 0 HG21 ILE A 64 33.056 -16.146 4.200 1.00 1.00 H new ATOM 0 HG22 ILE A 64 33.971 -14.628 4.351 1.00 1.00 H new ATOM 0 HG23 ILE A 64 32.320 -14.741 5.006 1.00 1.00 H new ATOM 0 HD11 ILE A 64 30.126 -16.321 0.927 1.00 1.00 H new ATOM 0 HD12 ILE A 64 31.281 -15.074 0.397 1.00 1.00 H new ATOM 0 HD13 ILE A 64 31.876 -16.610 1.070 1.00 1.00 H new ATOM 1073 N PRO A 65 32.753 -11.501 0.990 1.00 1.00 N ATOM 1074 CA PRO A 65 32.578 -10.862 -0.303 1.00 1.00 C ATOM 1075 C PRO A 65 33.083 -11.762 -1.432 1.00 1.00 C ATOM 1076 O PRO A 65 32.917 -11.389 -2.603 1.00 1.00 O ATOM 1077 CB PRO A 65 33.343 -9.552 -0.201 1.00 1.00 C ATOM 1078 CG PRO A 65 34.298 -9.717 0.970 1.00 1.00 C ATOM 1079 CD PRO A 65 33.863 -10.943 1.757 1.00 1.00 C ATOM 0 HA PRO A 65 31.531 -10.679 -0.543 1.00 1.00 H new ATOM 0 HB2 PRO A 65 33.887 -9.345 -1.122 1.00 1.00 H new ATOM 0 HB3 PRO A 65 32.664 -8.715 -0.036 1.00 1.00 H new ATOM 0 HG2 PRO A 65 35.321 -9.835 0.614 1.00 1.00 H new ATOM 0 HG3 PRO A 65 34.281 -8.831 1.604 1.00 1.00 H new ATOM 0 HD2 PRO A 65 34.678 -11.661 1.854 1.00 1.00 H new ATOM 0 HD3 PRO A 65 33.552 -10.675 2.767 1.00 1.00 H new ATOM 1087 N ARG A 66 33.678 -12.912 -1.066 1.00 1.00 N ATOM 1088 CA ARG A 66 34.200 -13.854 -2.042 1.00 1.00 C ATOM 1089 C ARG A 66 35.013 -14.930 -1.320 1.00 1.00 C ATOM 1090 O ARG A 66 36.241 -14.781 -1.231 1.00 1.00 O ATOM 1091 CB ARG A 66 35.089 -13.160 -3.076 1.00 1.00 C ATOM 1092 CG ARG A 66 35.049 -13.897 -4.416 1.00 1.00 C ATOM 1093 CD ARG A 66 36.010 -13.258 -5.421 1.00 1.00 C ATOM 1094 NE ARG A 66 35.533 -13.501 -6.801 1.00 1.00 N ATOM 1095 CZ ARG A 66 36.141 -13.022 -7.907 1.00 1.00 C ATOM 1096 NH1 ARG A 66 37.247 -12.278 -7.770 1.00 1.00 N ATOM 1097 NH2 ARG A 66 35.646 -13.286 -9.124 1.00 1.00 N ATOM 0 H ARG A 66 33.804 -13.201 -0.096 1.00 1.00 H new ATOM 0 HA ARG A 66 33.355 -14.301 -2.566 1.00 1.00 H new ATOM 0 HB2 ARG A 66 34.758 -12.131 -3.213 1.00 1.00 H new ATOM 0 HB3 ARG A 66 36.115 -13.119 -2.710 1.00 1.00 H new ATOM 0 HG2 ARG A 66 35.315 -14.944 -4.268 1.00 1.00 H new ATOM 0 HG3 ARG A 66 34.035 -13.879 -4.815 1.00 1.00 H new ATOM 0 HD2 ARG A 66 36.083 -12.186 -5.236 1.00 1.00 H new ATOM 0 HD3 ARG A 66 37.010 -13.672 -5.295 1.00 1.00 H new ATOM 0 HE ARG A 66 34.692 -14.066 -6.924 1.00 1.00 H new ATOM 0 HH11 ARG A 66 37.617 -12.081 -6.840 1.00 1.00 H new ATOM 0 HH12 ARG A 66 37.719 -11.908 -8.596 1.00 1.00 H new ATOM 0 HH21 ARG A 66 34.803 -13.853 -9.220 1.00 1.00 H new ATOM 0 HH22 ARG A 66 36.112 -12.920 -9.954 1.00 1.00 H new ATOM 1111 N GLU A 67 34.325 -15.976 -0.828 1.00 1.00 N ATOM 1112 CA GLU A 67 34.980 -17.065 -0.123 1.00 1.00 C ATOM 1113 C GLU A 67 35.531 -18.067 -1.139 1.00 1.00 C ATOM 1114 O GLU A 67 34.805 -18.408 -2.084 1.00 1.00 O ATOM 1115 CB GLU A 67 34.028 -17.749 0.861 1.00 1.00 C ATOM 1116 CG GLU A 67 34.758 -18.821 1.674 1.00 1.00 C ATOM 1117 CD GLU A 67 35.472 -18.204 2.878 1.00 1.00 C ATOM 1118 OE1 GLU A 67 36.260 -17.222 2.601 1.00 1.00 O ATOM 1119 OE2 GLU A 67 35.272 -18.656 4.016 1.00 1.00 O ATOM 0 H GLU A 67 33.314 -16.080 -0.912 1.00 1.00 H new ATOM 0 HA GLU A 67 35.804 -16.657 0.463 1.00 1.00 H new ATOM 0 HB2 GLU A 67 33.599 -17.006 1.534 1.00 1.00 H new ATOM 0 HB3 GLU A 67 33.200 -18.202 0.316 1.00 1.00 H new ATOM 0 HG2 GLU A 67 34.045 -19.572 2.015 1.00 1.00 H new ATOM 0 HG3 GLU A 67 35.482 -19.333 1.040 1.00 1.00 H new ATOM 1126 N PRO A 68 36.783 -18.511 -0.928 1.00 1.00 N ATOM 1127 CA PRO A 68 37.453 -19.463 -1.797 1.00 1.00 C ATOM 1128 C PRO A 68 36.910 -20.877 -1.584 1.00 1.00 C ATOM 1129 O PRO A 68 37.707 -21.775 -1.276 1.00 1.00 O ATOM 1130 CB PRO A 68 38.929 -19.336 -1.456 1.00 1.00 C ATOM 1131 CG PRO A 68 38.986 -18.663 -0.094 1.00 1.00 C ATOM 1132 CD PRO A 68 37.610 -18.087 0.198 1.00 1.00 C ATOM 0 HA PRO A 68 37.283 -19.259 -2.854 1.00 1.00 H new ATOM 0 HB2 PRO A 68 39.409 -20.314 -1.429 1.00 1.00 H new ATOM 0 HB3 PRO A 68 39.454 -18.744 -2.206 1.00 1.00 H new ATOM 0 HG2 PRO A 68 39.271 -19.381 0.675 1.00 1.00 H new ATOM 0 HG3 PRO A 68 39.739 -17.875 -0.089 1.00 1.00 H new ATOM 0 HD2 PRO A 68 37.216 -18.463 1.142 1.00 1.00 H new ATOM 0 HD3 PRO A 68 37.644 -17.000 0.277 1.00 1.00 H new ATOM 1140 N GLY A 69 35.585 -21.045 -1.750 1.00 1.00 N ATOM 1141 CA GLY A 69 34.945 -22.337 -1.577 1.00 1.00 C ATOM 1142 C GLY A 69 33.745 -22.186 -0.640 1.00 1.00 C ATOM 1143 O GLY A 69 33.848 -22.601 0.523 1.00 1.00 O ATOM 0 H GLY A 69 34.946 -20.292 -2.004 1.00 1.00 H new ATOM 0 HA2 GLY A 69 34.621 -22.727 -2.542 1.00 1.00 H new ATOM 0 HA3 GLY A 69 35.654 -23.055 -1.165 1.00 1.00 H new ATOM 1147 N ASN A 70 32.648 -21.604 -1.156 1.00 1.00 N ATOM 1148 CA ASN A 70 31.442 -21.401 -0.372 1.00 1.00 C ATOM 1149 C ASN A 70 30.242 -21.969 -1.132 1.00 1.00 C ATOM 1150 O ASN A 70 29.305 -21.207 -1.410 1.00 1.00 O ATOM 1151 CB ASN A 70 31.186 -19.912 -0.130 1.00 1.00 C ATOM 1152 CG ASN A 70 29.739 -19.668 0.304 1.00 1.00 C ATOM 1153 OD1 ASN A 70 29.063 -20.541 0.822 1.00 1.00 O ATOM 1154 ND2 ASN A 70 29.303 -18.434 0.064 1.00 1.00 N ATOM 0 H ASN A 70 32.583 -21.269 -2.117 1.00 1.00 H new ATOM 0 HA ASN A 70 31.575 -21.905 0.585 1.00 1.00 H new ATOM 0 HB2 ASN A 70 31.867 -19.542 0.637 1.00 1.00 H new ATOM 0 HB3 ASN A 70 31.396 -19.351 -1.040 1.00 1.00 H new ATOM 0 HD21 ASN A 70 28.350 -18.171 0.317 1.00 1.00 H new ATOM 0 HD22 ASN A 70 29.921 -17.751 -0.373 1.00 1.00 H new ATOM 1161 N PRO A 71 30.293 -23.275 -1.449 1.00 1.00 N ATOM 1162 CA PRO A 71 29.238 -23.969 -2.168 1.00 1.00 C ATOM 1163 C PRO A 71 28.036 -24.231 -1.259 1.00 1.00 C ATOM 1164 O PRO A 71 27.684 -25.404 -1.071 1.00 1.00 O ATOM 1165 CB PRO A 71 29.885 -25.245 -2.681 1.00 1.00 C ATOM 1166 CG PRO A 71 31.138 -25.444 -1.843 1.00 1.00 C ATOM 1167 CD PRO A 71 31.416 -24.144 -1.105 1.00 1.00 C ATOM 0 HA PRO A 71 28.836 -23.383 -2.994 1.00 1.00 H new ATOM 0 HB2 PRO A 71 29.209 -26.094 -2.580 1.00 1.00 H new ATOM 0 HB3 PRO A 71 30.132 -25.159 -3.739 1.00 1.00 H new ATOM 0 HG2 PRO A 71 30.999 -26.262 -1.136 1.00 1.00 H new ATOM 0 HG3 PRO A 71 31.983 -25.711 -2.477 1.00 1.00 H new ATOM 0 HD2 PRO A 71 31.477 -24.305 -0.029 1.00 1.00 H new ATOM 0 HD3 PRO A 71 32.365 -23.707 -1.416 1.00 1.00 H new ATOM 1175 N GLY A 72 27.440 -23.151 -0.723 1.00 1.00 N ATOM 1176 CA GLY A 72 26.289 -23.264 0.157 1.00 1.00 C ATOM 1177 C GLY A 72 25.039 -22.780 -0.581 1.00 1.00 C ATOM 1178 O GLY A 72 24.411 -23.595 -1.273 1.00 1.00 O ATOM 0 H GLY A 72 27.746 -22.193 -0.891 1.00 1.00 H new ATOM 0 HA2 GLY A 72 26.160 -24.299 0.475 1.00 1.00 H new ATOM 0 HA3 GLY A 72 26.446 -22.671 1.058 1.00 1.00 H new ATOM 1182 N LYS A 73 24.709 -21.486 -0.422 1.00 1.00 N ATOM 1183 CA LYS A 73 23.545 -20.904 -1.069 1.00 1.00 C ATOM 1184 C LYS A 73 23.863 -19.465 -1.481 1.00 1.00 C ATOM 1185 O LYS A 73 23.588 -19.108 -2.636 1.00 1.00 O ATOM 1186 CB LYS A 73 22.314 -21.027 -0.169 1.00 1.00 C ATOM 1187 CG LYS A 73 22.564 -20.378 1.194 1.00 1.00 C ATOM 1188 CD LYS A 73 21.493 -20.796 2.204 1.00 1.00 C ATOM 1189 CE LYS A 73 22.130 -21.362 3.475 1.00 1.00 C ATOM 1190 NZ LYS A 73 21.699 -20.593 4.654 1.00 1.00 N ATOM 0 H LYS A 73 25.240 -20.832 0.152 1.00 1.00 H new ATOM 0 HA LYS A 73 23.302 -21.452 -1.980 1.00 1.00 H new ATOM 0 HB2 LYS A 73 21.459 -20.553 -0.650 1.00 1.00 H new ATOM 0 HB3 LYS A 73 22.061 -22.079 -0.034 1.00 1.00 H new ATOM 0 HG2 LYS A 73 23.549 -20.665 1.563 1.00 1.00 H new ATOM 0 HG3 LYS A 73 22.567 -19.293 1.089 1.00 1.00 H new ATOM 0 HD2 LYS A 73 20.871 -19.937 2.456 1.00 1.00 H new ATOM 0 HD3 LYS A 73 20.838 -21.544 1.757 1.00 1.00 H new ATOM 0 HE2 LYS A 73 21.850 -22.409 3.594 1.00 1.00 H new ATOM 0 HE3 LYS A 73 23.216 -21.330 3.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 22.140 -20.990 5.508 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 21.988 -19.600 4.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 20.664 -20.645 4.743 1.00 1.00 H new ATOM 1204 N GLY A 74 24.427 -18.681 -0.545 1.00 1.00 N ATOM 1205 CA GLY A 74 24.777 -17.296 -0.810 1.00 1.00 C ATOM 1206 C GLY A 74 26.128 -16.983 -0.163 1.00 1.00 C ATOM 1207 O GLY A 74 27.147 -17.497 -0.647 1.00 1.00 O ATOM 0 H GLY A 74 24.646 -18.995 0.400 1.00 1.00 H new ATOM 0 HA2 GLY A 74 24.826 -17.121 -1.885 1.00 1.00 H new ATOM 0 HA3 GLY A 74 24.009 -16.632 -0.414 1.00 1.00 H new ATOM 1211 N ASN A 75 26.110 -16.160 0.901 1.00 1.00 N ATOM 1212 CA ASN A 75 27.324 -15.785 1.605 1.00 1.00 C ATOM 1213 C ASN A 75 27.269 -16.329 3.034 1.00 1.00 C ATOM 1214 O ASN A 75 26.469 -17.242 3.287 1.00 1.00 O ATOM 1215 CB ASN A 75 27.468 -14.264 1.684 1.00 1.00 C ATOM 1216 CG ASN A 75 27.022 -13.603 0.378 1.00 1.00 C ATOM 1217 OD1 ASN A 75 25.869 -13.664 -0.016 1.00 1.00 O ATOM 1218 ND2 ASN A 75 27.997 -12.971 -0.269 1.00 1.00 N ATOM 0 H ASN A 75 25.259 -15.747 1.284 1.00 1.00 H new ATOM 0 HA ASN A 75 28.171 -16.200 1.059 1.00 1.00 H new ATOM 0 HB2 ASN A 75 26.871 -13.881 2.512 1.00 1.00 H new ATOM 0 HB3 ASN A 75 28.506 -14.004 1.892 1.00 1.00 H new ATOM 0 HD21 ASN A 75 27.801 -12.499 -1.151 1.00 1.00 H new ATOM 0 HD22 ASN A 75 28.941 -12.959 0.117 1.00 1.00 H new ATOM 1225 N TYR A 76 28.105 -15.768 3.925 1.00 1.00 N ATOM 1226 CA TYR A 76 28.105 -16.243 5.299 1.00 1.00 C ATOM 1227 C TYR A 76 28.305 -15.056 6.244 1.00 1.00 C ATOM 1228 O TYR A 76 29.444 -14.579 6.346 1.00 1.00 O ATOM 1229 CB TYR A 76 29.192 -17.316 5.488 1.00 1.00 C ATOM 1230 CG TYR A 76 28.948 -18.605 4.716 1.00 1.00 C ATOM 1231 CD1 TYR A 76 27.684 -19.237 4.760 1.00 1.00 C ATOM 1232 CD2 TYR A 76 29.991 -19.182 3.955 1.00 1.00 C ATOM 1233 CE1 TYR A 76 27.463 -20.434 4.045 1.00 1.00 C ATOM 1234 CE2 TYR A 76 29.770 -20.378 3.240 1.00 1.00 C ATOM 1235 CZ TYR A 76 28.506 -21.005 3.284 1.00 1.00 C ATOM 1236 OH TYR A 76 28.297 -22.163 2.590 1.00 1.00 O ATOM 0 H TYR A 76 28.762 -15.015 3.721 1.00 1.00 H new ATOM 0 HA TYR A 76 27.147 -16.707 5.533 1.00 1.00 H new ATOM 0 HB2 TYR A 76 30.152 -16.900 5.182 1.00 1.00 H new ATOM 0 HB3 TYR A 76 29.271 -17.552 6.549 1.00 1.00 H new ATOM 0 HD1 TYR A 76 26.885 -18.803 5.342 1.00 1.00 H new ATOM 0 HD2 TYR A 76 30.960 -18.706 3.921 1.00 1.00 H new ATOM 0 HE1 TYR A 76 26.496 -20.913 4.080 1.00 1.00 H new ATOM 0 HE2 TYR A 76 30.569 -20.814 2.658 1.00 1.00 H new ATOM 0 HH TYR A 76 28.501 -22.018 1.642 1.00 1.00 H new ATOM 1246 N TRP A 77 27.218 -14.606 6.896 1.00 1.00 N ATOM 1247 CA TRP A 77 27.282 -13.479 7.812 1.00 1.00 C ATOM 1248 C TRP A 77 27.190 -13.992 9.251 1.00 1.00 C ATOM 1249 O TRP A 77 26.140 -14.543 9.614 1.00 1.00 O ATOM 1250 CB TRP A 77 26.197 -12.456 7.471 1.00 1.00 C ATOM 1251 CG TRP A 77 26.315 -11.870 6.063 1.00 1.00 C ATOM 1252 CD1 TRP A 77 26.541 -12.523 4.914 1.00 1.00 C ATOM 1253 CD2 TRP A 77 26.203 -10.479 5.699 1.00 1.00 C ATOM 1254 NE1 TRP A 77 26.582 -11.656 3.840 1.00 1.00 N ATOM 1255 CE2 TRP A 77 26.370 -10.374 4.332 1.00 1.00 C ATOM 1256 CE3 TRP A 77 25.967 -9.345 6.497 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 26.320 -9.155 3.645 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 25.920 -8.135 5.795 1.00 1.00 C ATOM 1259 CH2 TRP A 77 26.087 -8.013 4.420 1.00 1.00 C ATOM 0 H TRP A 77 26.288 -15.014 6.798 1.00 1.00 H new ATOM 0 HA TRP A 77 28.236 -12.961 7.710 1.00 1.00 H new ATOM 0 HB2 TRP A 77 25.220 -12.929 7.576 1.00 1.00 H new ATOM 0 HB3 TRP A 77 26.237 -11.643 8.196 1.00 1.00 H new ATOM 0 HD1 TRP A 77 26.674 -13.592 4.838 1.00 1.00 H new ATOM 0 HE1 TRP A 77 26.739 -11.910 2.865 1.00 1.00 H new ATOM 0 HE3 TRP A 77 25.833 -9.403 7.567 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 26.454 -9.099 2.575 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 25.741 -7.233 6.361 1.00 1.00 H new ATOM 0 HH2 TRP A 77 26.037 -7.041 3.952 1.00 1.00 H new ATOM 1270 N THR A 78 28.271 -13.804 10.028 1.00 1.00 N ATOM 1271 CA THR A 78 28.311 -14.245 11.412 1.00 1.00 C ATOM 1272 C THR A 78 28.480 -13.029 12.325 1.00 1.00 C ATOM 1273 O THR A 78 29.212 -12.103 11.944 1.00 1.00 O ATOM 1274 CB THR A 78 29.428 -15.279 11.564 1.00 1.00 C ATOM 1275 OG1 THR A 78 30.617 -14.552 11.263 1.00 1.00 O ATOM 1276 CG2 THR A 78 29.373 -16.364 10.487 1.00 1.00 C ATOM 0 H THR A 78 29.125 -13.347 9.709 1.00 1.00 H new ATOM 0 HA THR A 78 27.379 -14.729 11.706 1.00 1.00 H new ATOM 0 HB THR A 78 29.362 -15.742 12.549 1.00 1.00 H new ATOM 0 HG1 THR A 78 31.392 -15.147 11.339 1.00 1.00 H new ATOM 0 HG21 THR A 78 30.188 -17.072 10.641 1.00 1.00 H new ATOM 0 HG22 THR A 78 28.420 -16.889 10.548 1.00 1.00 H new ATOM 0 HG23 THR A 78 29.472 -15.905 9.503 1.00 1.00 H new ATOM 1284 N LEU A 79 27.811 -13.054 13.491 1.00 1.00 N ATOM 1285 CA LEU A 79 27.887 -11.961 14.446 1.00 1.00 C ATOM 1286 C LEU A 79 29.275 -11.948 15.090 1.00 1.00 C ATOM 1287 O LEU A 79 29.678 -12.982 15.644 1.00 1.00 O ATOM 1288 CB LEU A 79 26.742 -12.052 15.456 1.00 1.00 C ATOM 1289 CG LEU A 79 25.518 -11.181 15.162 1.00 1.00 C ATOM 1290 CD1 LEU A 79 24.573 -11.878 14.182 1.00 1.00 C ATOM 1291 CD2 LEU A 79 24.807 -10.780 16.456 1.00 1.00 C ATOM 0 H LEU A 79 27.213 -13.826 13.785 1.00 1.00 H new ATOM 0 HA LEU A 79 27.760 -11.004 13.940 1.00 1.00 H new ATOM 0 HB2 LEU A 79 26.418 -13.091 15.516 1.00 1.00 H new ATOM 0 HB3 LEU A 79 27.128 -11.782 16.439 1.00 1.00 H new ATOM 0 HG LEU A 79 25.859 -10.263 14.684 1.00 1.00 H new ATOM 0 HD11 LEU A 79 23.712 -11.238 13.990 1.00 1.00 H new ATOM 0 HD12 LEU A 79 25.097 -12.071 13.246 1.00 1.00 H new ATOM 0 HD13 LEU A 79 24.236 -12.822 14.611 1.00 1.00 H new ATOM 0 HD21 LEU A 79 23.941 -10.162 16.219 1.00 1.00 H new ATOM 0 HD22 LEU A 79 24.480 -11.676 16.984 1.00 1.00 H new ATOM 0 HD23 LEU A 79 25.493 -10.216 17.088 1.00 1.00 H new ATOM 1303 N ASP A 80 29.967 -10.798 15.008 1.00 1.00 N ATOM 1304 CA ASP A 80 31.295 -10.655 15.578 1.00 1.00 C ATOM 1305 C ASP A 80 31.173 -10.299 17.061 1.00 1.00 C ATOM 1306 O ASP A 80 31.776 -10.999 17.888 1.00 1.00 O ATOM 1307 CB ASP A 80 32.075 -9.535 14.886 1.00 1.00 C ATOM 1308 CG ASP A 80 33.347 -9.984 14.165 1.00 1.00 C ATOM 1309 OD1 ASP A 80 33.280 -11.148 13.613 1.00 1.00 O ATOM 1310 OD2 ASP A 80 34.352 -9.258 14.131 1.00 1.00 O ATOM 0 H ASP A 80 29.617 -9.958 14.548 1.00 1.00 H new ATOM 0 HA ASP A 80 31.823 -11.599 15.442 1.00 1.00 H new ATOM 0 HB2 ASP A 80 31.419 -9.048 14.165 1.00 1.00 H new ATOM 0 HB3 ASP A 80 32.343 -8.785 15.631 1.00 1.00 H new ATOM 1315 N PRO A 81 30.409 -9.234 17.364 1.00 1.00 N ATOM 1316 CA PRO A 81 30.189 -8.764 18.721 1.00 1.00 C ATOM 1317 C PRO A 81 29.219 -9.681 19.469 1.00 1.00 C ATOM 1318 O PRO A 81 28.022 -9.663 19.144 1.00 1.00 O ATOM 1319 CB PRO A 81 29.666 -7.345 18.566 1.00 1.00 C ATOM 1320 CG PRO A 81 29.173 -7.237 17.132 1.00 1.00 C ATOM 1321 CD PRO A 81 29.713 -8.431 16.362 1.00 1.00 C ATOM 0 HA PRO A 81 31.098 -8.776 19.323 1.00 1.00 H new ATOM 0 HB2 PRO A 81 28.860 -7.147 19.272 1.00 1.00 H new ATOM 0 HB3 PRO A 81 30.451 -6.615 18.765 1.00 1.00 H new ATOM 0 HG2 PRO A 81 28.083 -7.225 17.103 1.00 1.00 H new ATOM 0 HG3 PRO A 81 29.514 -6.306 16.680 1.00 1.00 H new ATOM 0 HD2 PRO A 81 28.908 -8.996 15.891 1.00 1.00 H new ATOM 0 HD3 PRO A 81 30.389 -8.117 15.567 1.00 1.00 H new ATOM 1329 N GLN A 82 29.744 -10.451 20.438 1.00 1.00 N ATOM 1330 CA GLN A 82 28.930 -11.364 21.222 1.00 1.00 C ATOM 1331 C GLN A 82 28.610 -12.603 20.384 1.00 1.00 C ATOM 1332 O GLN A 82 27.441 -13.018 20.366 1.00 1.00 O ATOM 1333 CB GLN A 82 27.647 -10.691 21.716 1.00 1.00 C ATOM 1334 CG GLN A 82 27.012 -11.491 22.855 1.00 1.00 C ATOM 1335 CD GLN A 82 27.825 -11.352 24.143 1.00 1.00 C ATOM 1336 OE1 GLN A 82 28.492 -12.271 24.589 1.00 1.00 O ATOM 1337 NE2 GLN A 82 27.732 -10.155 24.715 1.00 1.00 N ATOM 0 H GLN A 82 30.733 -10.451 20.689 1.00 1.00 H new ATOM 0 HA GLN A 82 29.493 -11.662 22.106 1.00 1.00 H new ATOM 0 HB2 GLN A 82 27.870 -9.680 22.057 1.00 1.00 H new ATOM 0 HB3 GLN A 82 26.939 -10.600 20.892 1.00 1.00 H new ATOM 0 HG2 GLN A 82 25.993 -11.143 23.025 1.00 1.00 H new ATOM 0 HG3 GLN A 82 26.947 -12.542 22.574 1.00 1.00 H new ATOM 0 HE21 GLN A 82 27.156 -9.429 24.289 1.00 1.00 H new ATOM 0 HE22 GLN A 82 28.237 -9.962 25.580 1.00 1.00 H new ATOM 1346 N SER A 83 29.636 -13.161 19.717 1.00 1.00 N ATOM 1347 CA SER A 83 29.465 -14.341 18.886 1.00 1.00 C ATOM 1348 C SER A 83 29.363 -15.578 19.780 1.00 1.00 C ATOM 1349 O SER A 83 28.495 -16.424 19.520 1.00 1.00 O ATOM 1350 CB SER A 83 30.618 -14.497 17.892 1.00 1.00 C ATOM 1351 OG SER A 83 31.149 -13.238 17.488 1.00 1.00 O ATOM 0 H SER A 83 30.591 -12.804 19.745 1.00 1.00 H new ATOM 0 HA SER A 83 28.548 -14.228 18.308 1.00 1.00 H new ATOM 0 HB2 SER A 83 31.409 -15.095 18.345 1.00 1.00 H new ATOM 0 HB3 SER A 83 30.269 -15.042 17.015 1.00 1.00 H new ATOM 0 HG SER A 83 30.667 -12.919 16.696 1.00 1.00 H new ATOM 1357 N GLU A 84 30.237 -15.659 20.799 1.00 1.00 N ATOM 1358 CA GLU A 84 30.245 -16.783 21.720 1.00 1.00 C ATOM 1359 C GLU A 84 31.235 -17.838 21.223 1.00 1.00 C ATOM 1360 O GLU A 84 31.689 -18.652 22.040 1.00 1.00 O ATOM 1361 CB GLU A 84 28.846 -17.380 21.889 1.00 1.00 C ATOM 1362 CG GLU A 84 28.717 -18.103 23.232 1.00 1.00 C ATOM 1363 CD GLU A 84 27.535 -19.073 23.220 1.00 1.00 C ATOM 1364 OE1 GLU A 84 26.384 -18.651 23.408 1.00 1.00 O ATOM 1365 OE2 GLU A 84 27.844 -20.307 23.006 1.00 1.00 O ATOM 0 H GLU A 84 30.945 -14.951 20.996 1.00 1.00 H new ATOM 0 HA GLU A 84 30.560 -16.429 22.701 1.00 1.00 H new ATOM 0 HB2 GLU A 84 28.099 -16.589 21.825 1.00 1.00 H new ATOM 0 HB3 GLU A 84 28.643 -18.077 21.076 1.00 1.00 H new ATOM 0 HG2 GLU A 84 29.637 -18.647 23.446 1.00 1.00 H new ATOM 0 HG3 GLU A 84 28.585 -17.373 24.031 1.00 1.00 H new ATOM 1372 N ASP A 85 31.546 -17.803 19.915 1.00 1.00 N ATOM 1373 CA ASP A 85 32.473 -18.749 19.318 1.00 1.00 C ATOM 1374 C ASP A 85 33.908 -18.305 19.612 1.00 1.00 C ATOM 1375 O ASP A 85 34.679 -19.117 20.143 1.00 1.00 O ATOM 1376 CB ASP A 85 32.298 -18.808 17.799 1.00 1.00 C ATOM 1377 CG ASP A 85 33.360 -19.623 17.057 1.00 1.00 C ATOM 1378 OD1 ASP A 85 34.397 -18.954 16.683 1.00 1.00 O ATOM 1379 OD2 ASP A 85 33.204 -20.835 16.848 1.00 1.00 O ATOM 0 H ASP A 85 31.161 -17.123 19.259 1.00 1.00 H new ATOM 0 HA ASP A 85 32.271 -19.732 19.743 1.00 1.00 H new ATOM 0 HB2 ASP A 85 31.318 -19.230 17.577 1.00 1.00 H new ATOM 0 HB3 ASP A 85 32.303 -17.791 17.408 1.00 1.00 H new ATOM 1384 N MET A 86 34.231 -17.046 19.266 1.00 1.00 N ATOM 1385 CA MET A 86 35.559 -16.503 19.491 1.00 1.00 C ATOM 1386 C MET A 86 35.981 -16.778 20.936 1.00 1.00 C ATOM 1387 O MET A 86 37.179 -16.994 21.170 1.00 1.00 O ATOM 1388 CB MET A 86 35.568 -14.994 19.236 1.00 1.00 C ATOM 1389 CG MET A 86 36.610 -14.623 18.178 1.00 1.00 C ATOM 1390 SD MET A 86 36.197 -15.413 16.595 1.00 1.00 S ATOM 1391 CE MET A 86 34.942 -14.251 15.981 1.00 1.00 C ATOM 0 H MET A 86 33.580 -16.393 18.829 1.00 1.00 H new ATOM 0 HA MET A 86 36.257 -16.980 18.804 1.00 1.00 H new ATOM 0 HB2 MET A 86 34.580 -14.671 18.908 1.00 1.00 H new ATOM 0 HB3 MET A 86 35.784 -14.466 20.165 1.00 1.00 H new ATOM 0 HG2 MET A 86 36.646 -13.541 18.055 1.00 1.00 H new ATOM 0 HG3 MET A 86 37.601 -14.940 18.504 1.00 1.00 H new ATOM 0 HE1 MET A 86 34.108 -14.808 15.555 1.00 1.00 H new ATOM 0 HE2 MET A 86 34.583 -13.634 16.805 1.00 1.00 H new ATOM 0 HE3 MET A 86 35.381 -13.613 15.214 1.00 1.00 H new ATOM 1401 N PHE A 87 35.004 -16.767 21.861 1.00 1.00 N ATOM 1402 CA PHE A 87 35.272 -17.014 23.267 1.00 1.00 C ATOM 1403 C PHE A 87 36.008 -18.348 23.415 1.00 1.00 C ATOM 1404 O PHE A 87 36.946 -18.417 24.222 1.00 1.00 O ATOM 1405 CB PHE A 87 33.940 -17.037 24.042 1.00 1.00 C ATOM 1406 CG PHE A 87 33.645 -15.770 24.834 1.00 1.00 C ATOM 1407 CD1 PHE A 87 34.427 -15.444 25.966 1.00 1.00 C ATOM 1408 CD2 PHE A 87 32.594 -14.909 24.440 1.00 1.00 C ATOM 1409 CE1 PHE A 87 34.159 -14.269 26.699 1.00 1.00 C ATOM 1410 CE2 PHE A 87 32.327 -13.734 25.174 1.00 1.00 C ATOM 1411 CZ PHE A 87 33.108 -13.413 26.304 1.00 1.00 C ATOM 0 H PHE A 87 34.023 -16.588 21.647 1.00 1.00 H new ATOM 0 HA PHE A 87 35.900 -16.222 23.674 1.00 1.00 H new ATOM 0 HB2 PHE A 87 33.127 -17.206 23.336 1.00 1.00 H new ATOM 0 HB3 PHE A 87 33.948 -17.885 24.727 1.00 1.00 H new ATOM 0 HD1 PHE A 87 35.232 -16.097 26.270 1.00 1.00 H new ATOM 0 HD2 PHE A 87 31.994 -15.152 23.575 1.00 1.00 H new ATOM 0 HE1 PHE A 87 34.758 -14.024 27.563 1.00 1.00 H new ATOM 0 HE2 PHE A 87 31.523 -13.079 24.870 1.00 1.00 H new ATOM 0 HZ PHE A 87 32.902 -12.514 26.866 1.00 1.00 H new ATOM 1421 N ASP A 88 35.576 -19.362 22.645 1.00 1.00 N ATOM 1422 CA ASP A 88 36.190 -20.679 22.690 1.00 1.00 C ATOM 1423 C ASP A 88 36.199 -21.281 21.283 1.00 1.00 C ATOM 1424 O ASP A 88 35.706 -22.407 21.121 1.00 1.00 O ATOM 1425 CB ASP A 88 35.404 -21.622 23.603 1.00 1.00 C ATOM 1426 CG ASP A 88 34.931 -21.002 24.919 1.00 1.00 C ATOM 1427 OD1 ASP A 88 35.537 -20.049 25.431 1.00 1.00 O ATOM 1428 OD2 ASP A 88 33.878 -21.545 25.431 1.00 1.00 O ATOM 0 H ASP A 88 34.801 -19.283 21.986 1.00 1.00 H new ATOM 0 HA ASP A 88 37.203 -20.566 23.075 1.00 1.00 H new ATOM 0 HB2 ASP A 88 34.534 -21.989 23.058 1.00 1.00 H new ATOM 0 HB3 ASP A 88 36.027 -22.487 23.830 1.00 1.00 H new ATOM 1433 N ASN A 89 36.750 -20.532 20.311 1.00 1.00 N ATOM 1434 CA ASN A 89 36.821 -20.989 18.934 1.00 1.00 C ATOM 1435 C ASN A 89 37.620 -22.293 18.874 1.00 1.00 C ATOM 1436 O ASN A 89 37.164 -23.235 18.210 1.00 1.00 O ATOM 1437 CB ASN A 89 37.528 -19.961 18.048 1.00 1.00 C ATOM 1438 CG ASN A 89 38.855 -19.522 18.669 1.00 1.00 C ATOM 1439 OD1 ASN A 89 39.892 -20.138 18.480 1.00 1.00 O ATOM 1440 ND2 ASN A 89 38.767 -18.427 19.418 1.00 1.00 N ATOM 0 H ASN A 89 37.150 -19.607 20.466 1.00 1.00 H new ATOM 0 HA ASN A 89 35.802 -21.135 18.575 1.00 1.00 H new ATOM 0 HB2 ASN A 89 37.708 -20.388 17.062 1.00 1.00 H new ATOM 0 HB3 ASN A 89 36.884 -19.093 17.907 1.00 1.00 H new ATOM 0 HD21 ASN A 89 39.599 -18.054 19.876 1.00 1.00 H new ATOM 0 HD22 ASN A 89 37.868 -17.960 19.535 1.00 1.00 H new ATOM 1447 N GLY A 90 38.778 -22.322 19.559 1.00 1.00 N ATOM 1448 CA GLY A 90 39.629 -23.499 19.583 1.00 1.00 C ATOM 1449 C GLY A 90 39.072 -24.505 20.593 1.00 1.00 C ATOM 1450 O GLY A 90 38.811 -25.651 20.200 1.00 1.00 O ATOM 0 H GLY A 90 39.136 -21.535 20.101 1.00 1.00 H new ATOM 0 HA2 GLY A 90 39.675 -23.949 18.591 1.00 1.00 H new ATOM 0 HA3 GLY A 90 40.647 -23.220 19.854 1.00 1.00 H new ATOM 1454 N SER A 91 38.904 -24.064 21.852 1.00 1.00 N ATOM 1455 CA SER A 91 38.383 -24.920 22.904 1.00 1.00 C ATOM 1456 C SER A 91 39.466 -25.912 23.332 1.00 1.00 C ATOM 1457 O SER A 91 39.224 -27.125 23.240 1.00 1.00 O ATOM 1458 CB SER A 91 37.128 -25.667 22.448 1.00 1.00 C ATOM 1459 OG SER A 91 36.420 -26.240 23.545 1.00 1.00 O ATOM 0 H SER A 91 39.125 -23.116 22.155 1.00 1.00 H new ATOM 0 HA SER A 91 38.102 -24.295 23.752 1.00 1.00 H new ATOM 0 HB2 SER A 91 36.472 -24.981 21.912 1.00 1.00 H new ATOM 0 HB3 SER A 91 37.408 -26.453 21.747 1.00 1.00 H new ATOM 0 HG SER A 91 37.004 -26.868 24.019 1.00 1.00 H new ATOM 1465 N PHE A 92 40.619 -25.388 23.782 1.00 1.00 N ATOM 1466 CA PHE A 92 41.726 -26.222 24.219 1.00 1.00 C ATOM 1467 C PHE A 92 42.384 -26.869 22.998 1.00 1.00 C ATOM 1468 O PHE A 92 42.313 -28.100 22.873 1.00 1.00 O ATOM 1469 CB PHE A 92 41.200 -27.296 25.190 1.00 1.00 C ATOM 1470 CG PHE A 92 42.279 -28.006 25.997 1.00 1.00 C ATOM 1471 CD1 PHE A 92 43.098 -27.270 26.884 1.00 1.00 C ATOM 1472 CD2 PHE A 92 42.464 -29.402 25.871 1.00 1.00 C ATOM 1473 CE1 PHE A 92 44.096 -27.926 27.637 1.00 1.00 C ATOM 1474 CE2 PHE A 92 43.461 -30.057 26.624 1.00 1.00 C ATOM 1475 CZ PHE A 92 44.278 -29.319 27.507 1.00 1.00 C ATOM 0 H PHE A 92 40.798 -24.386 23.849 1.00 1.00 H new ATOM 0 HA PHE A 92 42.471 -25.618 24.737 1.00 1.00 H new ATOM 0 HB2 PHE A 92 40.497 -26.830 25.880 1.00 1.00 H new ATOM 0 HB3 PHE A 92 40.642 -28.040 24.621 1.00 1.00 H new ATOM 0 HD1 PHE A 92 42.960 -26.204 26.986 1.00 1.00 H new ATOM 0 HD2 PHE A 92 41.840 -29.969 25.196 1.00 1.00 H new ATOM 0 HE1 PHE A 92 44.721 -27.361 28.313 1.00 1.00 H new ATOM 0 HE2 PHE A 92 43.599 -31.124 26.525 1.00 1.00 H new ATOM 0 HZ PHE A 92 45.042 -29.820 28.083 1.00 1.00 H new ATOM 1485 N LEU A 93 43.000 -26.040 22.136 1.00 1.00 N ATOM 1486 CA LEU A 93 43.662 -26.529 20.938 1.00 1.00 C ATOM 1487 C LEU A 93 44.305 -27.885 21.233 1.00 1.00 C ATOM 1488 O LEU A 93 43.957 -28.888 20.612 1.00 1.00 O ATOM 1489 CB LEU A 93 44.646 -25.484 20.406 1.00 1.00 C ATOM 1490 CG LEU A 93 44.045 -24.378 19.537 1.00 1.00 C ATOM 1491 CD1 LEU A 93 43.485 -24.949 18.233 1.00 1.00 C ATOM 1492 CD2 LEU A 93 42.993 -23.582 20.312 1.00 1.00 C ATOM 0 H LEU A 93 43.047 -25.028 22.257 1.00 1.00 H new ATOM 0 HA LEU A 93 42.937 -26.687 20.139 1.00 1.00 H new ATOM 0 HB2 LEU A 93 45.146 -25.020 21.256 1.00 1.00 H new ATOM 0 HB3 LEU A 93 45.413 -25.998 19.826 1.00 1.00 H new ATOM 0 HG LEU A 93 44.841 -23.684 19.269 1.00 1.00 H new ATOM 0 HD11 LEU A 93 43.064 -24.142 17.634 1.00 1.00 H new ATOM 0 HD12 LEU A 93 44.285 -25.435 17.675 1.00 1.00 H new ATOM 0 HD13 LEU A 93 42.706 -25.677 18.459 1.00 1.00 H new ATOM 0 HD21 LEU A 93 42.582 -22.802 19.671 1.00 1.00 H new ATOM 0 HD22 LEU A 93 42.193 -24.250 20.630 1.00 1.00 H new ATOM 0 HD23 LEU A 93 43.454 -23.126 21.188 1.00 1.00 H new TER 1504 LEU A 93