USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -9.53! C(o=-15!,f=-23!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -5.19! C(o=-15!,f=-19!) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= -0.2 USER MOD Set 2.2: A 60 GLN : amide:sc= -3.26 K(o=-3.5,f=-2.4!) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= -1.01! USER MOD Set 3.2: A 37 MET CE :methyl 172:sc= -2.93! (180deg=-3.54!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= -5.34! (180deg=-8.75!) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.14) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 12 HIS : no HD1:sc= -2.02 K(o=-2,f=0.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.421 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= -0.111 (180deg=-0.186) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.6!) USER MOD Single : A 35 ASN : amide:sc= 0.77 K(o=0.77,f=-7.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= -0.132 (180deg=-0.327) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -127:sc= -3.34 (180deg=-8.46!) USER MOD Single : A 74 SER OG : rot -8:sc= 0.959 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.584 1.704 -5.323 1.00 0.00 N ATOM 2 CA MET A 1 -10.605 0.602 -5.184 1.00 0.00 C ATOM 3 C MET A 1 -9.440 0.994 -4.281 1.00 0.00 C ATOM 4 O MET A 1 -9.036 2.154 -4.242 1.00 0.00 O ATOM 5 CB MET A 1 -10.103 0.251 -6.586 1.00 0.00 C ATOM 6 CG MET A 1 -8.921 -0.697 -6.630 1.00 0.00 C ATOM 7 SD MET A 1 -7.911 -0.461 -8.105 1.00 0.00 S ATOM 8 CE MET A 1 -8.758 -1.528 -9.269 1.00 0.00 C ATOM 0 H1 MET A 1 -11.981 1.696 -6.284 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.350 1.577 -4.631 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.110 2.614 -5.152 1.00 0.00 H new ATOM 0 HA MET A 1 -11.085 -0.258 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.925 -0.192 -7.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.828 1.173 -7.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.305 -0.548 -5.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.281 -1.725 -6.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.251 -1.490 -10.233 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.751 -2.552 -8.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.788 -1.192 -9.388 1.00 0.00 H new ATOM 20 N PHE A 2 -8.890 0.016 -3.568 1.00 0.00 N ATOM 21 CA PHE A 2 -7.762 0.269 -2.685 1.00 0.00 C ATOM 22 C PHE A 2 -6.468 0.232 -3.483 1.00 0.00 C ATOM 23 O PHE A 2 -6.342 -0.525 -4.445 1.00 0.00 O ATOM 24 CB PHE A 2 -7.712 -0.757 -1.551 1.00 0.00 C ATOM 25 CG PHE A 2 -8.815 -0.603 -0.542 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.698 0.305 0.498 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.965 -1.370 -0.632 1.00 0.00 C ATOM 28 CE1 PHE A 2 -9.709 0.445 1.430 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.978 -1.234 0.298 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.851 -0.325 1.330 1.00 0.00 C ATOM 0 H PHE A 2 -9.207 -0.953 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.885 1.257 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.761 -1.759 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.752 -0.674 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.807 0.910 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.071 -2.082 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.606 1.156 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.869 -1.839 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.643 -0.217 2.057 1.00 0.00 H new ATOM 40 N LYS A 3 -5.516 1.062 -3.090 1.00 0.00 N ATOM 41 CA LYS A 3 -4.239 1.131 -3.783 1.00 0.00 C ATOM 42 C LYS A 3 -3.086 0.885 -2.824 1.00 0.00 C ATOM 43 O LYS A 3 -2.974 1.550 -1.796 1.00 0.00 O ATOM 44 CB LYS A 3 -4.075 2.501 -4.442 1.00 0.00 C ATOM 45 CG LYS A 3 -4.605 2.561 -5.864 1.00 0.00 C ATOM 46 CD LYS A 3 -6.114 2.740 -5.886 1.00 0.00 C ATOM 47 CE LYS A 3 -6.550 3.664 -7.011 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.162 5.078 -6.751 1.00 0.00 N ATOM 0 H LYS A 3 -5.602 1.697 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.225 0.355 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.591 3.248 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.018 2.769 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.131 3.386 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.338 1.646 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.595 1.769 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.447 3.146 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.103 3.331 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.631 3.601 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.734 5.710 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.326 5.304 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.155 5.208 -6.975 1.00 0.00 H new ATOM 62 N VAL A 4 -2.224 -0.066 -3.160 1.00 0.00 N ATOM 63 CA VAL A 4 -1.079 -0.362 -2.311 1.00 0.00 C ATOM 64 C VAL A 4 0.228 -0.019 -3.001 1.00 0.00 C ATOM 65 O VAL A 4 0.467 -0.399 -4.148 1.00 0.00 O ATOM 66 CB VAL A 4 -1.028 -1.841 -1.868 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.260 -2.147 -1.115 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.207 -2.175 -0.988 1.00 0.00 C ATOM 0 H VAL A 4 -2.294 -0.638 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.206 0.261 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.064 -2.451 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.267 -3.195 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.115 -1.948 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.321 -1.517 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.152 -3.221 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.190 -1.541 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.132 -2.004 -1.539 1.00 0.00 H new ATOM 78 N TYR A 5 1.084 0.675 -2.269 1.00 0.00 N ATOM 79 CA TYR A 5 2.389 1.051 -2.763 1.00 0.00 C ATOM 80 C TYR A 5 3.451 0.265 -2.009 1.00 0.00 C ATOM 81 O TYR A 5 3.799 0.605 -0.880 1.00 0.00 O ATOM 82 CB TYR A 5 2.618 2.552 -2.579 1.00 0.00 C ATOM 83 CG TYR A 5 1.733 3.417 -3.448 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.397 3.024 -4.736 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.246 4.633 -2.984 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.602 3.819 -5.538 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.448 5.431 -3.781 1.00 0.00 C ATOM 88 CZ TYR A 5 0.130 5.020 -5.056 1.00 0.00 C ATOM 89 OH TYR A 5 -0.664 5.813 -5.854 1.00 0.00 O ATOM 0 H TYR A 5 0.890 0.991 -1.319 1.00 0.00 H new ATOM 0 HA TYR A 5 2.450 0.824 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.448 2.810 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.661 2.780 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.763 2.082 -5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.495 4.959 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.351 3.500 -6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.075 6.373 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.913 6.624 -5.364 1.00 0.00 H new ATOM 99 N GLY A 6 3.945 -0.799 -2.626 1.00 0.00 N ATOM 100 CA GLY A 6 4.943 -1.621 -1.985 1.00 0.00 C ATOM 101 C GLY A 6 5.713 -2.457 -2.982 1.00 0.00 C ATOM 102 O GLY A 6 5.986 -2.016 -4.098 1.00 0.00 O ATOM 0 H GLY A 6 3.670 -1.105 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.636 -0.986 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.462 -2.275 -1.258 1.00 0.00 H new ATOM 106 N TYR A 7 6.066 -3.666 -2.577 1.00 0.00 N ATOM 107 CA TYR A 7 6.809 -4.571 -3.425 1.00 0.00 C ATOM 108 C TYR A 7 6.096 -5.914 -3.554 1.00 0.00 C ATOM 109 O TYR A 7 5.392 -6.343 -2.640 1.00 0.00 O ATOM 110 CB TYR A 7 8.198 -4.766 -2.842 1.00 0.00 C ATOM 111 CG TYR A 7 8.909 -3.463 -2.561 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.119 -2.537 -3.573 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.354 -3.152 -1.284 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.756 -1.339 -3.320 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.993 -1.955 -1.023 1.00 0.00 C ATOM 116 CZ TYR A 7 10.192 -1.051 -2.044 1.00 0.00 C ATOM 117 OH TYR A 7 10.827 0.144 -1.792 1.00 0.00 O ATOM 0 H TYR A 7 5.845 -4.042 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 7 6.884 -4.140 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.121 -5.338 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.797 -5.358 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.779 -2.757 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.198 -3.857 -0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.912 -0.629 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.335 -1.729 -0.024 1.00 0.00 H new ATOM 0 HH TYR A 7 11.070 0.192 -0.844 1.00 0.00 H new ATOM 127 N ASP A 8 6.282 -6.573 -4.693 1.00 0.00 N ATOM 128 CA ASP A 8 5.657 -7.867 -4.938 1.00 0.00 C ATOM 129 C ASP A 8 6.227 -8.935 -4.007 1.00 0.00 C ATOM 130 O ASP A 8 5.571 -9.347 -3.049 1.00 0.00 O ATOM 131 CB ASP A 8 5.851 -8.287 -6.397 1.00 0.00 C ATOM 132 CG ASP A 8 5.140 -9.586 -6.725 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.899 -9.567 -6.857 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.826 -10.623 -6.847 1.00 0.00 O ATOM 0 H ASP A 8 6.861 -6.232 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 8 4.590 -7.768 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.480 -7.498 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.916 -8.397 -6.602 1.00 0.00 H new ATOM 139 N SER A 9 7.449 -9.382 -4.291 1.00 0.00 N ATOM 140 CA SER A 9 8.103 -10.405 -3.476 1.00 0.00 C ATOM 141 C SER A 9 9.441 -10.822 -4.078 1.00 0.00 C ATOM 142 O SER A 9 10.385 -11.139 -3.355 1.00 0.00 O ATOM 143 CB SER A 9 7.204 -11.635 -3.336 1.00 0.00 C ATOM 144 OG SER A 9 7.916 -12.723 -2.774 1.00 0.00 O ATOM 0 H SER A 9 8.006 -9.052 -5.079 1.00 0.00 H new ATOM 0 HA SER A 9 8.283 -9.973 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.347 -11.394 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.813 -11.918 -4.314 1.00 0.00 H new ATOM 0 HG SER A 9 7.320 -13.497 -2.693 1.00 0.00 H new ATOM 150 N ASN A 10 9.515 -10.830 -5.404 1.00 0.00 N ATOM 151 CA ASN A 10 10.735 -11.220 -6.105 1.00 0.00 C ATOM 152 C ASN A 10 11.734 -10.066 -6.164 1.00 0.00 C ATOM 153 O ASN A 10 12.939 -10.284 -6.293 1.00 0.00 O ATOM 154 CB ASN A 10 10.397 -11.697 -7.520 1.00 0.00 C ATOM 155 CG ASN A 10 9.385 -12.826 -7.525 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.410 -13.704 -6.661 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.482 -12.809 -8.500 1.00 0.00 N ATOM 0 H ASN A 10 8.743 -10.570 -6.018 1.00 0.00 H new ATOM 0 HA ASN A 10 11.197 -12.037 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.006 -10.860 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.309 -12.029 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.774 -13.542 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.497 -12.063 -9.196 1.00 0.00 H new ATOM 164 N ILE A 11 11.226 -8.842 -6.069 1.00 0.00 N ATOM 165 CA ILE A 11 12.072 -7.654 -6.113 1.00 0.00 C ATOM 166 C ILE A 11 12.509 -7.245 -4.710 1.00 0.00 C ATOM 167 O ILE A 11 13.664 -6.878 -4.490 1.00 0.00 O ATOM 168 CB ILE A 11 11.343 -6.462 -6.773 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.869 -6.827 -8.181 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.247 -5.235 -6.822 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.718 -7.809 -8.200 1.00 0.00 C ATOM 0 H ILE A 11 10.231 -8.646 -5.961 1.00 0.00 H new ATOM 0 HA ILE A 11 12.946 -7.912 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 11 10.470 -6.225 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.568 -5.917 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.705 -7.250 -8.738 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.713 -4.408 -7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.534 -4.954 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.141 -5.465 -7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.437 -8.020 -9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.021 -8.734 -7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.866 -7.381 -7.672 1.00 0.00 H new ATOM 183 N HIS A 12 11.575 -7.305 -3.767 1.00 0.00 N ATOM 184 CA HIS A 12 11.859 -6.934 -2.388 1.00 0.00 C ATOM 185 C HIS A 12 10.882 -7.627 -1.442 1.00 0.00 C ATOM 186 O HIS A 12 9.765 -7.970 -1.830 1.00 0.00 O ATOM 187 CB HIS A 12 11.774 -5.415 -2.232 1.00 0.00 C ATOM 188 CG HIS A 12 12.529 -4.868 -1.060 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.892 -4.993 -0.902 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.091 -4.174 0.018 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.228 -4.390 0.247 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.171 -3.875 0.843 1.00 0.00 N ATOM 0 H HIS A 12 10.615 -7.607 -3.934 1.00 0.00 H new ATOM 0 HA HIS A 12 12.868 -7.256 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.151 -4.947 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.726 -5.130 -2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.065 -3.896 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.235 -4.333 0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.149 -3.364 1.725 1.00 0.00 H new ATOM 200 N LYS A 13 11.311 -7.842 -0.206 1.00 0.00 N ATOM 201 CA LYS A 13 10.470 -8.510 0.787 1.00 0.00 C ATOM 202 C LYS A 13 9.130 -7.798 0.956 1.00 0.00 C ATOM 203 O LYS A 13 9.044 -6.574 0.858 1.00 0.00 O ATOM 204 CB LYS A 13 11.191 -8.600 2.134 1.00 0.00 C ATOM 205 CG LYS A 13 10.518 -9.551 3.114 1.00 0.00 C ATOM 206 CD LYS A 13 11.326 -9.708 4.392 1.00 0.00 C ATOM 207 CE LYS A 13 10.454 -10.179 5.546 1.00 0.00 C ATOM 208 NZ LYS A 13 10.015 -9.050 6.413 1.00 0.00 N ATOM 0 H LYS A 13 12.232 -7.566 0.135 1.00 0.00 H new ATOM 0 HA LYS A 13 10.273 -9.518 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.217 -8.927 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.241 -7.606 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.523 -9.179 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.388 -10.526 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.133 -10.422 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.790 -8.756 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.578 -10.694 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.006 -10.903 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.423 -9.416 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.849 -8.573 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.465 -8.372 5.848 1.00 0.00 H new ATOM 222 N CYS A 14 8.085 -8.583 1.207 1.00 0.00 N ATOM 223 CA CYS A 14 6.741 -8.041 1.393 1.00 0.00 C ATOM 224 C CYS A 14 5.798 -9.098 1.965 1.00 0.00 C ATOM 225 O CYS A 14 4.959 -9.648 1.252 1.00 0.00 O ATOM 226 CB CYS A 14 6.184 -7.520 0.067 1.00 0.00 C ATOM 227 SG CYS A 14 4.733 -6.433 0.250 1.00 0.00 S ATOM 0 H CYS A 14 8.143 -9.598 1.286 1.00 0.00 H new ATOM 0 HA CYS A 14 6.811 -7.215 2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.970 -6.975 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.912 -8.369 -0.560 1.00 0.00 H new ATOM 232 N VAL A 15 5.935 -9.373 3.258 1.00 0.00 N ATOM 233 CA VAL A 15 5.087 -10.357 3.923 1.00 0.00 C ATOM 234 C VAL A 15 3.835 -9.706 4.505 1.00 0.00 C ATOM 235 O VAL A 15 2.840 -10.380 4.774 1.00 0.00 O ATOM 236 CB VAL A 15 5.840 -11.082 5.055 1.00 0.00 C ATOM 237 CG1 VAL A 15 6.990 -11.903 4.494 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.340 -10.087 6.091 1.00 0.00 C ATOM 0 H VAL A 15 6.624 -8.929 3.866 1.00 0.00 H new ATOM 0 HA VAL A 15 4.799 -11.083 3.162 1.00 0.00 H new ATOM 0 HB VAL A 15 5.145 -11.763 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.509 -12.407 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.601 -12.646 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.686 -11.246 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.869 -10.620 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.017 -9.377 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.493 -9.551 6.519 1.00 0.00 H new ATOM 248 N TYR A 16 3.895 -8.393 4.705 1.00 0.00 N ATOM 249 CA TYR A 16 2.771 -7.653 5.265 1.00 0.00 C ATOM 250 C TYR A 16 1.664 -7.457 4.233 1.00 0.00 C ATOM 251 O TYR A 16 0.492 -7.329 4.587 1.00 0.00 O ATOM 252 CB TYR A 16 3.240 -6.294 5.789 1.00 0.00 C ATOM 253 CG TYR A 16 3.578 -6.302 7.262 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.578 -6.203 8.221 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.893 -6.412 7.694 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.879 -6.212 9.568 1.00 0.00 C ATOM 257 CE2 TYR A 16 5.202 -6.424 9.041 1.00 0.00 C ATOM 258 CZ TYR A 16 4.192 -6.323 9.974 1.00 0.00 C ATOM 259 OH TYR A 16 4.497 -6.334 11.316 1.00 0.00 O ATOM 0 H TYR A 16 4.710 -7.820 4.487 1.00 0.00 H new ATOM 0 HA TYR A 16 2.366 -8.238 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.117 -5.978 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.461 -5.554 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.548 -6.118 7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.687 -6.489 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.090 -6.132 10.301 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.230 -6.512 9.361 1.00 0.00 H new ATOM 0 HH TYR A 16 5.467 -6.419 11.430 1.00 0.00 H new ATOM 269 N CYS A 17 2.037 -7.430 2.958 1.00 0.00 N ATOM 270 CA CYS A 17 1.062 -7.248 1.890 1.00 0.00 C ATOM 271 C CYS A 17 0.343 -8.556 1.582 1.00 0.00 C ATOM 272 O CYS A 17 -0.870 -8.574 1.373 1.00 0.00 O ATOM 273 CB CYS A 17 1.738 -6.705 0.629 1.00 0.00 C ATOM 274 SG CYS A 17 3.155 -7.695 0.057 1.00 0.00 S ATOM 0 H CYS A 17 3.001 -7.531 2.641 1.00 0.00 H new ATOM 0 HA CYS A 17 0.323 -6.522 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.000 -6.652 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.075 -5.686 0.821 1.00 0.00 H new ATOM 279 N ASP A 18 1.094 -9.653 1.571 1.00 0.00 N ATOM 280 CA ASP A 18 0.524 -10.970 1.299 1.00 0.00 C ATOM 281 C ASP A 18 -0.704 -11.219 2.170 1.00 0.00 C ATOM 282 O ASP A 18 -1.715 -11.750 1.708 1.00 0.00 O ATOM 283 CB ASP A 18 1.568 -12.060 1.546 1.00 0.00 C ATOM 284 CG ASP A 18 2.509 -12.237 0.371 1.00 0.00 C ATOM 285 OD1 ASP A 18 3.079 -11.226 -0.090 1.00 0.00 O ATOM 286 OD2 ASP A 18 2.677 -13.386 -0.088 1.00 0.00 O ATOM 0 H ASP A 18 2.099 -9.657 1.747 1.00 0.00 H new ATOM 0 HA ASP A 18 0.219 -10.999 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.146 -11.811 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.062 -13.004 1.748 1.00 0.00 H new ATOM 291 N ASN A 19 -0.607 -10.827 3.437 1.00 0.00 N ATOM 292 CA ASN A 19 -1.706 -10.999 4.379 1.00 0.00 C ATOM 293 C ASN A 19 -2.829 -10.014 4.080 1.00 0.00 C ATOM 294 O ASN A 19 -3.996 -10.395 3.987 1.00 0.00 O ATOM 295 CB ASN A 19 -1.212 -10.809 5.815 1.00 0.00 C ATOM 296 CG ASN A 19 -0.329 -11.952 6.277 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.757 -13.106 6.320 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.914 -11.637 6.624 1.00 0.00 N ATOM 0 H ASN A 19 0.223 -10.388 3.835 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.093 -12.012 4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.657 -9.873 5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.069 -10.722 6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.555 -12.364 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.228 -10.668 6.573 1.00 0.00 H new ATOM 305 N ALA A 20 -2.468 -8.743 3.924 1.00 0.00 N ATOM 306 CA ALA A 20 -3.444 -7.700 3.631 1.00 0.00 C ATOM 307 C ALA A 20 -4.254 -8.045 2.386 1.00 0.00 C ATOM 308 O ALA A 20 -5.469 -7.858 2.352 1.00 0.00 O ATOM 309 CB ALA A 20 -2.746 -6.360 3.455 1.00 0.00 C ATOM 0 H ALA A 20 -1.506 -8.412 3.996 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.132 -7.630 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.486 -5.590 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.215 -6.103 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.036 -6.425 2.630 1.00 0.00 H new ATOM 315 N LYS A 21 -3.573 -8.563 1.368 1.00 0.00 N ATOM 316 CA LYS A 21 -4.229 -8.941 0.122 1.00 0.00 C ATOM 317 C LYS A 21 -5.328 -9.965 0.383 1.00 0.00 C ATOM 318 O LYS A 21 -6.473 -9.781 -0.030 1.00 0.00 O ATOM 319 CB LYS A 21 -3.204 -9.514 -0.861 1.00 0.00 C ATOM 320 CG LYS A 21 -3.804 -9.925 -2.197 1.00 0.00 C ATOM 321 CD LYS A 21 -3.062 -11.103 -2.804 1.00 0.00 C ATOM 322 CE LYS A 21 -2.059 -10.649 -3.853 1.00 0.00 C ATOM 323 NZ LYS A 21 -0.754 -10.269 -3.245 1.00 0.00 N ATOM 0 H LYS A 21 -2.567 -8.730 1.382 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.681 -8.049 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.426 -8.771 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.722 -10.380 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.853 -10.186 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.773 -9.081 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.544 -11.652 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.777 -11.791 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.903 -11.449 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.466 -9.799 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.098 -9.965 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.898 -9.488 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.353 -11.087 -2.744 1.00 0.00 H new ATOM 337 N ARG A 22 -4.972 -11.042 1.080 1.00 0.00 N ATOM 338 CA ARG A 22 -5.932 -12.092 1.402 1.00 0.00 C ATOM 339 C ARG A 22 -7.097 -11.527 2.210 1.00 0.00 C ATOM 340 O ARG A 22 -8.244 -11.935 2.035 1.00 0.00 O ATOM 341 CB ARG A 22 -5.251 -13.216 2.186 1.00 0.00 C ATOM 342 CG ARG A 22 -6.019 -14.528 2.160 1.00 0.00 C ATOM 343 CD ARG A 22 -5.753 -15.304 0.881 1.00 0.00 C ATOM 344 NE ARG A 22 -5.980 -16.737 1.053 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.144 -17.549 1.697 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.027 -17.073 2.232 1.00 0.00 N ATOM 347 NH2 ARG A 22 -5.426 -18.840 1.807 1.00 0.00 N ATOM 0 H ARG A 22 -4.029 -11.209 1.431 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.319 -12.497 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.254 -13.380 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.123 -12.900 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.735 -15.134 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.087 -14.328 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.399 -14.927 0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.724 -15.136 0.562 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.829 -17.139 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.805 -16.081 2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.390 -17.699 2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.284 -19.211 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.785 -19.462 2.300 1.00 0.00 H new ATOM 361 N LEU A 23 -6.790 -10.577 3.087 1.00 0.00 N ATOM 362 CA LEU A 23 -7.804 -9.941 3.919 1.00 0.00 C ATOM 363 C LEU A 23 -8.847 -9.247 3.051 1.00 0.00 C ATOM 364 O LEU A 23 -10.045 -9.505 3.172 1.00 0.00 O ATOM 365 CB LEU A 23 -7.145 -8.931 4.867 1.00 0.00 C ATOM 366 CG LEU A 23 -8.095 -7.951 5.561 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.454 -7.394 6.822 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.479 -6.818 4.620 1.00 0.00 C ATOM 0 H LEU A 23 -5.843 -10.230 3.240 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.303 -10.708 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.599 -9.482 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.410 -8.357 4.302 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.000 -8.491 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.142 -6.699 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.226 -8.212 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.533 -6.871 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.154 -6.133 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.582 -6.281 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.976 -7.228 3.741 1.00 0.00 H new ATOM 380 N LEU A 24 -8.382 -8.365 2.172 1.00 0.00 N ATOM 381 CA LEU A 24 -9.271 -7.629 1.281 1.00 0.00 C ATOM 382 C LEU A 24 -10.149 -8.586 0.485 1.00 0.00 C ATOM 383 O LEU A 24 -11.359 -8.388 0.375 1.00 0.00 O ATOM 384 CB LEU A 24 -8.459 -6.747 0.332 1.00 0.00 C ATOM 385 CG LEU A 24 -7.809 -5.530 0.989 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.451 -5.249 0.371 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.712 -4.313 0.865 1.00 0.00 C ATOM 0 H LEU A 24 -7.393 -8.143 2.058 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.916 -6.994 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.679 -7.354 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.112 -6.404 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.665 -5.748 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.005 -4.379 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.802 -6.113 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.570 -5.053 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.234 -3.455 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.887 -4.095 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.664 -4.515 1.357 1.00 0.00 H new ATOM 399 N THR A 25 -9.535 -9.635 -0.056 1.00 0.00 N ATOM 400 CA THR A 25 -10.270 -10.629 -0.827 1.00 0.00 C ATOM 401 C THR A 25 -11.394 -11.217 0.019 1.00 0.00 C ATOM 402 O THR A 25 -12.479 -11.515 -0.481 1.00 0.00 O ATOM 403 CB THR A 25 -9.331 -11.741 -1.299 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.236 -11.202 -2.017 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.009 -12.760 -2.191 1.00 0.00 C ATOM 0 H THR A 25 -8.535 -9.817 0.026 1.00 0.00 H new ATOM 0 HA THR A 25 -10.700 -10.143 -1.703 1.00 0.00 H new ATOM 0 HB THR A 25 -8.999 -12.243 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.600 -10.799 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.287 -13.520 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.828 -13.231 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.401 -12.263 -3.079 1.00 0.00 H new ATOM 413 N VAL A 26 -11.121 -11.364 1.312 1.00 0.00 N ATOM 414 CA VAL A 26 -12.097 -11.898 2.252 1.00 0.00 C ATOM 415 C VAL A 26 -13.095 -10.820 2.663 1.00 0.00 C ATOM 416 O VAL A 26 -14.252 -11.110 2.967 1.00 0.00 O ATOM 417 CB VAL A 26 -11.405 -12.455 3.513 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.423 -13.065 4.464 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.344 -13.477 3.130 1.00 0.00 C ATOM 0 H VAL A 26 -10.225 -11.118 1.733 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.625 -12.708 1.750 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.916 -11.629 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.912 -13.451 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.141 -12.303 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.947 -13.879 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.866 -13.860 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.810 -14.300 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.595 -13.004 2.495 1.00 0.00 H new ATOM 429 N LYS A 27 -12.636 -9.571 2.664 1.00 0.00 N ATOM 430 CA LYS A 27 -13.482 -8.442 3.030 1.00 0.00 C ATOM 431 C LYS A 27 -14.423 -8.067 1.884 1.00 0.00 C ATOM 432 O LYS A 27 -15.355 -7.284 2.068 1.00 0.00 O ATOM 433 CB LYS A 27 -12.616 -7.236 3.410 1.00 0.00 C ATOM 434 CG LYS A 27 -12.736 -6.830 4.873 1.00 0.00 C ATOM 435 CD LYS A 27 -11.515 -7.253 5.673 1.00 0.00 C ATOM 436 CE LYS A 27 -11.892 -7.671 7.086 1.00 0.00 C ATOM 437 NZ LYS A 27 -10.693 -7.892 7.939 1.00 0.00 N ATOM 0 H LYS A 27 -11.680 -9.317 2.415 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.087 -8.736 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.573 -7.466 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.894 -6.389 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.861 -5.749 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.629 -7.282 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.017 -8.081 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.802 -6.429 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.521 -6.903 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.484 -8.586 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.992 -8.076 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.158 -8.709 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.089 -7.046 7.915 1.00 0.00 H new ATOM 451 N LYS A 28 -14.172 -8.627 0.701 1.00 0.00 N ATOM 452 CA LYS A 28 -14.995 -8.348 -0.473 1.00 0.00 C ATOM 453 C LYS A 28 -14.819 -6.903 -0.932 1.00 0.00 C ATOM 454 O LYS A 28 -15.788 -6.149 -1.032 1.00 0.00 O ATOM 455 CB LYS A 28 -16.470 -8.629 -0.171 1.00 0.00 C ATOM 456 CG LYS A 28 -16.717 -9.997 0.443 1.00 0.00 C ATOM 457 CD LYS A 28 -16.839 -11.072 -0.624 1.00 0.00 C ATOM 458 CE LYS A 28 -16.319 -12.412 -0.128 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.642 -13.517 -1.071 1.00 0.00 N ATOM 0 H LYS A 28 -13.404 -9.277 0.531 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.668 -9.006 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.845 -7.863 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.043 -8.546 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.900 -10.246 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.629 -9.970 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.883 -11.173 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.282 -10.770 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.239 -12.355 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.751 -12.630 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.270 -14.413 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.674 -13.589 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.208 -13.322 -1.996 1.00 0.00 H new ATOM 473 N GLN A 29 -13.576 -6.525 -1.211 1.00 0.00 N ATOM 474 CA GLN A 29 -13.276 -5.172 -1.659 1.00 0.00 C ATOM 475 C GLN A 29 -12.325 -5.187 -2.854 1.00 0.00 C ATOM 476 O GLN A 29 -11.336 -5.921 -2.858 1.00 0.00 O ATOM 477 CB GLN A 29 -12.657 -4.363 -0.517 1.00 0.00 C ATOM 478 CG GLN A 29 -13.675 -3.576 0.293 1.00 0.00 C ATOM 479 CD GLN A 29 -14.345 -2.480 -0.514 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.691 -1.544 -0.975 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.657 -2.588 -0.684 1.00 0.00 N ATOM 0 H GLN A 29 -12.763 -7.136 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.211 -4.705 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.121 -5.040 0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.921 -3.673 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.436 -4.258 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.181 -3.134 1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.159 -3.381 -0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.163 -1.878 -1.214 1.00 0.00 H new ATOM 490 N PRO A 30 -12.602 -4.366 -3.882 1.00 0.00 N ATOM 491 CA PRO A 30 -11.755 -4.285 -5.073 1.00 0.00 C ATOM 492 C PRO A 30 -10.501 -3.461 -4.817 1.00 0.00 C ATOM 493 O PRO A 30 -10.572 -2.369 -4.254 1.00 0.00 O ATOM 494 CB PRO A 30 -12.656 -3.579 -6.084 1.00 0.00 C ATOM 495 CG PRO A 30 -13.503 -2.688 -5.246 1.00 0.00 C ATOM 496 CD PRO A 30 -13.752 -3.442 -3.965 1.00 0.00 C ATOM 0 HA PRO A 30 -11.400 -5.261 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.074 -3.011 -6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.260 -4.291 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.000 -1.741 -5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.441 -2.453 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.792 -2.772 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.699 -3.981 -3.994 1.00 0.00 H new ATOM 504 N PHE A 31 -9.351 -3.984 -5.225 1.00 0.00 N ATOM 505 CA PHE A 31 -8.095 -3.280 -5.021 1.00 0.00 C ATOM 506 C PHE A 31 -7.030 -3.714 -6.022 1.00 0.00 C ATOM 507 O PHE A 31 -7.208 -4.692 -6.746 1.00 0.00 O ATOM 508 CB PHE A 31 -7.606 -3.488 -3.603 1.00 0.00 C ATOM 509 CG PHE A 31 -7.041 -4.850 -3.385 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.884 -5.923 -3.186 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.680 -5.059 -3.405 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.378 -7.190 -3.004 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.160 -6.322 -3.226 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.012 -7.395 -3.024 1.00 0.00 C ATOM 0 H PHE A 31 -9.264 -4.885 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.280 -2.218 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.846 -2.742 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.432 -3.326 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.953 -5.768 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.013 -4.224 -3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.048 -8.022 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.091 -6.475 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.610 -8.388 -2.883 1.00 0.00 H new ATOM 524 N GLU A 32 -5.918 -2.980 -6.053 1.00 0.00 N ATOM 525 CA GLU A 32 -4.830 -3.299 -6.968 1.00 0.00 C ATOM 526 C GLU A 32 -3.476 -2.929 -6.374 1.00 0.00 C ATOM 527 O GLU A 32 -3.323 -1.880 -5.747 1.00 0.00 O ATOM 528 CB GLU A 32 -5.025 -2.582 -8.304 1.00 0.00 C ATOM 529 CG GLU A 32 -4.687 -3.443 -9.510 1.00 0.00 C ATOM 530 CD GLU A 32 -5.802 -4.404 -9.874 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.770 -3.967 -10.531 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.708 -5.592 -9.502 1.00 0.00 O ATOM 0 H GLU A 32 -5.750 -2.168 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.846 -4.376 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.061 -2.252 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.403 -1.687 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.475 -2.799 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.778 -4.009 -9.304 1.00 0.00 H new ATOM 539 N PHE A 33 -2.499 -3.804 -6.582 1.00 0.00 N ATOM 540 CA PHE A 33 -1.154 -3.596 -6.083 1.00 0.00 C ATOM 541 C PHE A 33 -0.308 -2.842 -7.108 1.00 0.00 C ATOM 542 O PHE A 33 -0.536 -2.949 -8.312 1.00 0.00 O ATOM 543 CB PHE A 33 -0.520 -4.954 -5.768 1.00 0.00 C ATOM 544 CG PHE A 33 0.612 -4.906 -4.782 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.844 -3.778 -4.014 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.449 -5.997 -4.629 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.889 -3.740 -3.112 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.495 -5.966 -3.727 1.00 0.00 C ATOM 549 CZ PHE A 33 2.714 -4.834 -2.968 1.00 0.00 C ATOM 0 H PHE A 33 -2.621 -4.674 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.199 -2.994 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.292 -5.619 -5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.156 -5.394 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.200 -2.918 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.283 -6.884 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.059 -2.853 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.140 -6.825 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.531 -4.806 -2.262 1.00 0.00 H new ATOM 559 N ILE A 34 0.668 -2.084 -6.621 1.00 0.00 N ATOM 560 CA ILE A 34 1.553 -1.317 -7.483 1.00 0.00 C ATOM 561 C ILE A 34 2.976 -1.356 -6.950 1.00 0.00 C ATOM 562 O ILE A 34 3.240 -0.961 -5.814 1.00 0.00 O ATOM 563 CB ILE A 34 1.113 0.151 -7.595 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.389 0.246 -7.864 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.903 0.858 -8.685 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.960 1.624 -7.615 1.00 0.00 C ATOM 0 H ILE A 34 0.865 -1.986 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 34 1.506 -1.774 -8.472 1.00 0.00 H new ATOM 0 HB ILE A 34 1.317 0.647 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.584 -0.038 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.910 -0.474 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.580 1.897 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.966 0.823 -8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.730 0.362 -9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.029 1.618 -7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.797 1.903 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.466 2.346 -8.266 1.00 0.00 H new ATOM 578 N ASN A 35 3.881 -1.837 -7.778 1.00 0.00 N ATOM 579 CA ASN A 35 5.284 -1.934 -7.405 1.00 0.00 C ATOM 580 C ASN A 35 5.962 -0.574 -7.512 1.00 0.00 C ATOM 581 O ASN A 35 6.178 -0.060 -8.608 1.00 0.00 O ATOM 582 CB ASN A 35 6.002 -2.948 -8.297 1.00 0.00 C ATOM 583 CG ASN A 35 7.344 -3.368 -7.730 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.971 -2.628 -6.973 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.791 -4.565 -8.095 1.00 0.00 N ATOM 0 H ASN A 35 3.672 -2.169 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 35 5.341 -2.271 -6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.372 -3.828 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.148 -2.517 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.687 -4.903 -7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.238 -5.146 -8.725 1.00 0.00 H new ATOM 592 N ILE A 36 6.295 0.002 -6.363 1.00 0.00 N ATOM 593 CA ILE A 36 6.951 1.302 -6.325 1.00 0.00 C ATOM 594 C ILE A 36 8.412 1.202 -6.754 1.00 0.00 C ATOM 595 O ILE A 36 9.091 2.215 -6.904 1.00 0.00 O ATOM 596 CB ILE A 36 6.886 1.923 -4.915 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.564 1.003 -3.896 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.442 2.190 -4.519 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.474 1.736 -2.935 1.00 0.00 C ATOM 0 H ILE A 36 6.121 -0.411 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 36 6.415 1.942 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 36 7.419 2.874 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.798 0.475 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.143 0.248 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.413 2.628 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.991 2.880 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.885 1.253 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.921 1.023 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.262 2.241 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.896 2.472 -2.376 1.00 0.00 H new ATOM 611 N MET A 37 8.897 -0.022 -6.947 1.00 0.00 N ATOM 612 CA MET A 37 10.277 -0.235 -7.350 1.00 0.00 C ATOM 613 C MET A 37 10.355 -1.099 -8.609 1.00 0.00 C ATOM 614 O MET A 37 10.600 -2.303 -8.534 1.00 0.00 O ATOM 615 CB MET A 37 11.063 -0.876 -6.199 1.00 0.00 C ATOM 616 CG MET A 37 12.412 -1.454 -6.601 1.00 0.00 C ATOM 617 SD MET A 37 13.761 -0.948 -5.508 1.00 0.00 S ATOM 618 CE MET A 37 12.946 -0.910 -3.909 1.00 0.00 C ATOM 0 H MET A 37 8.353 -0.877 -6.830 1.00 0.00 H new ATOM 0 HA MET A 37 10.723 0.731 -7.586 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.220 -0.128 -5.422 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.458 -1.670 -5.760 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.346 -2.542 -6.606 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.643 -1.144 -7.620 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.688 -0.753 -3.126 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.221 -0.097 -3.890 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.434 -1.857 -3.739 1.00 0.00 H new ATOM 628 N PRO A 38 10.144 -0.486 -9.788 1.00 0.00 N ATOM 629 CA PRO A 38 10.195 -1.196 -11.071 1.00 0.00 C ATOM 630 C PRO A 38 11.585 -1.756 -11.354 1.00 0.00 C ATOM 631 O PRO A 38 11.746 -2.673 -12.159 1.00 0.00 O ATOM 632 CB PRO A 38 9.832 -0.121 -12.105 1.00 0.00 C ATOM 633 CG PRO A 38 9.204 0.983 -11.322 1.00 0.00 C ATOM 634 CD PRO A 38 9.844 0.943 -9.966 1.00 0.00 C ATOM 0 HA PRO A 38 9.523 -2.054 -11.087 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.717 0.228 -12.637 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.144 -0.512 -12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.370 1.947 -11.804 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.125 0.845 -11.249 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.746 1.553 -9.927 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.173 1.315 -9.191 1.00 0.00 H new ATOM 642 N GLU A 39 12.586 -1.196 -10.682 1.00 0.00 N ATOM 643 CA GLU A 39 13.964 -1.631 -10.850 1.00 0.00 C ATOM 644 C GLU A 39 14.678 -1.663 -9.504 1.00 0.00 C ATOM 645 O GLU A 39 14.485 -0.779 -8.670 1.00 0.00 O ATOM 646 CB GLU A 39 14.702 -0.701 -11.815 1.00 0.00 C ATOM 647 CG GLU A 39 14.114 -0.689 -13.217 1.00 0.00 C ATOM 648 CD GLU A 39 15.042 -0.052 -14.233 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.207 -0.490 -14.329 1.00 0.00 O ATOM 650 OE2 GLU A 39 14.603 0.886 -14.932 1.00 0.00 O ATOM 0 H GLU A 39 12.465 -0.436 -10.013 1.00 0.00 H new ATOM 0 HA GLU A 39 13.960 -2.638 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.685 0.312 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.747 -1.004 -11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.893 -1.712 -13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.168 -0.148 -13.206 1.00 0.00 H new ATOM 657 N LYS A 40 15.502 -2.685 -9.295 1.00 0.00 N ATOM 658 CA LYS A 40 16.236 -2.826 -8.039 1.00 0.00 C ATOM 659 C LYS A 40 17.154 -1.639 -7.782 1.00 0.00 C ATOM 660 O LYS A 40 17.726 -1.497 -6.701 1.00 0.00 O ATOM 661 CB LYS A 40 17.037 -4.131 -8.022 1.00 0.00 C ATOM 662 CG LYS A 40 16.711 -5.030 -6.841 1.00 0.00 C ATOM 663 CD LYS A 40 17.497 -4.632 -5.603 1.00 0.00 C ATOM 664 CE LYS A 40 17.564 -5.770 -4.597 1.00 0.00 C ATOM 665 NZ LYS A 40 17.489 -5.278 -3.193 1.00 0.00 N ATOM 0 H LYS A 40 15.679 -3.425 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 40 15.499 -2.854 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.847 -4.676 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.101 -3.894 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.643 -4.978 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.935 -6.065 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.507 -4.339 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.032 -3.762 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.746 -6.466 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.492 -6.324 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.538 -6.085 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.284 -4.634 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.592 -4.771 -3.050 1.00 0.00 H new ATOM 679 N GLY A 41 17.275 -0.797 -8.781 1.00 0.00 N ATOM 680 CA GLY A 41 18.113 0.382 -8.678 1.00 0.00 C ATOM 681 C GLY A 41 17.463 1.494 -7.878 1.00 0.00 C ATOM 682 O GLY A 41 18.012 1.945 -6.873 1.00 0.00 O ATOM 0 H GLY A 41 16.803 -0.904 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.060 0.110 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.344 0.747 -9.679 1.00 0.00 H new ATOM 686 N VAL A 42 16.290 1.940 -8.323 1.00 0.00 N ATOM 687 CA VAL A 42 15.578 3.013 -7.636 1.00 0.00 C ATOM 688 C VAL A 42 14.067 2.891 -7.810 1.00 0.00 C ATOM 689 O VAL A 42 13.588 2.395 -8.829 1.00 0.00 O ATOM 690 CB VAL A 42 16.023 4.397 -8.151 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.430 5.504 -7.293 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.541 4.494 -8.185 1.00 0.00 C ATOM 0 H VAL A 42 15.816 1.578 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 42 15.824 2.918 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 42 15.652 4.520 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.756 6.473 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.342 5.448 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.767 5.386 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.835 5.478 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.938 4.348 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.940 3.726 -8.848 1.00 0.00 H new ATOM 702 N PHE A 43 13.319 3.363 -6.813 1.00 0.00 N ATOM 703 CA PHE A 43 11.858 3.319 -6.867 1.00 0.00 C ATOM 704 C PHE A 43 11.340 4.172 -8.023 1.00 0.00 C ATOM 705 O PHE A 43 12.094 4.918 -8.646 1.00 0.00 O ATOM 706 CB PHE A 43 11.226 3.812 -5.557 1.00 0.00 C ATOM 707 CG PHE A 43 12.087 3.644 -4.337 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.844 2.499 -4.153 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.132 4.636 -3.372 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.633 2.348 -3.029 1.00 0.00 C ATOM 711 CE2 PHE A 43 12.918 4.491 -2.245 1.00 0.00 C ATOM 712 CZ PHE A 43 13.669 3.346 -2.073 1.00 0.00 C ATOM 0 H PHE A 43 13.698 3.778 -5.962 1.00 0.00 H new ATOM 0 HA PHE A 43 11.574 2.278 -7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.977 4.868 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.289 3.278 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.817 1.716 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.546 5.534 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.221 1.452 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.945 5.272 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.284 3.230 -1.193 1.00 0.00 H new ATOM 722 N ASP A 44 10.042 4.061 -8.296 1.00 0.00 N ATOM 723 CA ASP A 44 9.414 4.824 -9.370 1.00 0.00 C ATOM 724 C ASP A 44 8.982 6.203 -8.877 1.00 0.00 C ATOM 725 O ASP A 44 7.948 6.344 -8.225 1.00 0.00 O ATOM 726 CB ASP A 44 8.205 4.063 -9.918 1.00 0.00 C ATOM 727 CG ASP A 44 7.731 4.615 -11.249 1.00 0.00 C ATOM 728 OD1 ASP A 44 7.705 5.853 -11.401 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.386 3.808 -12.137 1.00 0.00 O ATOM 0 H ASP A 44 9.404 3.449 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 44 10.145 4.957 -10.167 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.464 3.011 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.390 4.112 -9.196 1.00 0.00 H new ATOM 734 N ASP A 45 9.784 7.215 -9.189 1.00 0.00 N ATOM 735 CA ASP A 45 9.494 8.585 -8.774 1.00 0.00 C ATOM 736 C ASP A 45 8.111 9.032 -9.246 1.00 0.00 C ATOM 737 O ASP A 45 7.500 9.916 -8.646 1.00 0.00 O ATOM 738 CB ASP A 45 10.559 9.538 -9.318 1.00 0.00 C ATOM 739 CG ASP A 45 11.755 9.655 -8.393 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.253 8.606 -7.932 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.195 10.794 -8.130 1.00 0.00 O ATOM 0 H ASP A 45 10.643 7.113 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 45 9.505 8.611 -7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.891 9.188 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.119 10.524 -9.466 1.00 0.00 H new ATOM 746 N GLU A 46 7.620 8.421 -10.321 1.00 0.00 N ATOM 747 CA GLU A 46 6.308 8.768 -10.857 1.00 0.00 C ATOM 748 C GLU A 46 5.211 8.401 -9.865 1.00 0.00 C ATOM 749 O GLU A 46 4.465 9.263 -9.398 1.00 0.00 O ATOM 750 CB GLU A 46 6.068 8.057 -12.190 1.00 0.00 C ATOM 751 CG GLU A 46 7.214 8.210 -13.178 1.00 0.00 C ATOM 752 CD GLU A 46 7.403 6.982 -14.047 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.485 6.137 -14.090 1.00 0.00 O ATOM 754 OE2 GLU A 46 8.471 6.865 -14.684 1.00 0.00 O ATOM 0 H GLU A 46 8.108 7.687 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 46 6.282 9.845 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.901 6.996 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.156 8.448 -12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.027 9.075 -13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.136 8.409 -12.631 1.00 0.00 H new ATOM 761 N LYS A 47 5.125 7.115 -9.541 1.00 0.00 N ATOM 762 CA LYS A 47 4.126 6.634 -8.596 1.00 0.00 C ATOM 763 C LYS A 47 4.389 7.208 -7.209 1.00 0.00 C ATOM 764 O LYS A 47 3.459 7.481 -6.450 1.00 0.00 O ATOM 765 CB LYS A 47 4.134 5.106 -8.542 1.00 0.00 C ATOM 766 CG LYS A 47 4.160 4.448 -9.912 1.00 0.00 C ATOM 767 CD LYS A 47 3.814 2.971 -9.826 1.00 0.00 C ATOM 768 CE LYS A 47 4.512 2.170 -10.914 1.00 0.00 C ATOM 769 NZ LYS A 47 3.791 0.904 -11.222 1.00 0.00 N ATOM 0 H LYS A 47 5.734 6.389 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 47 3.144 6.967 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.003 4.776 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.251 4.765 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.453 4.951 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.149 4.566 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.102 2.585 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.735 2.843 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.587 2.774 -11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.530 1.940 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.208 0.464 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.873 0.253 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.787 1.110 -11.399 1.00 0.00 H new ATOM 783 N ILE A 48 5.666 7.394 -6.891 1.00 0.00 N ATOM 784 CA ILE A 48 6.061 7.943 -5.601 1.00 0.00 C ATOM 785 C ILE A 48 5.769 9.441 -5.541 1.00 0.00 C ATOM 786 O ILE A 48 5.508 9.991 -4.471 1.00 0.00 O ATOM 787 CB ILE A 48 7.568 7.712 -5.332 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.866 6.222 -5.136 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.034 8.510 -4.120 1.00 0.00 C ATOM 790 CD1 ILE A 48 6.937 5.531 -4.160 1.00 0.00 C ATOM 0 H ILE A 48 6.445 7.172 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 48 5.480 7.426 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 48 8.119 8.061 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.802 5.719 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.892 6.110 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.096 8.330 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.870 9.573 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.470 8.199 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.213 4.480 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.018 6.006 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.910 5.609 -4.518 1.00 0.00 H new ATOM 802 N ALA A 49 5.821 10.096 -6.697 1.00 0.00 N ATOM 803 CA ALA A 49 5.570 11.529 -6.774 1.00 0.00 C ATOM 804 C ALA A 49 4.157 11.860 -6.318 1.00 0.00 C ATOM 805 O ALA A 49 3.960 12.663 -5.405 1.00 0.00 O ATOM 806 CB ALA A 49 5.802 12.031 -8.191 1.00 0.00 C ATOM 0 H ALA A 49 6.035 9.656 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 49 6.268 12.033 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.611 13.103 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.834 11.835 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.128 11.515 -8.875 1.00 0.00 H new ATOM 812 N GLU A 50 3.173 11.232 -6.953 1.00 0.00 N ATOM 813 CA GLU A 50 1.777 11.462 -6.600 1.00 0.00 C ATOM 814 C GLU A 50 1.517 11.030 -5.162 1.00 0.00 C ATOM 815 O GLU A 50 0.736 11.655 -4.445 1.00 0.00 O ATOM 816 CB GLU A 50 0.848 10.712 -7.559 1.00 0.00 C ATOM 817 CG GLU A 50 0.875 9.201 -7.385 1.00 0.00 C ATOM 818 CD GLU A 50 0.396 8.465 -8.622 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.835 8.379 -8.821 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.249 7.975 -9.390 1.00 0.00 O ATOM 0 H GLU A 50 3.315 10.564 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 50 1.571 12.529 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.172 11.067 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.127 10.955 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.891 8.884 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.249 8.925 -6.537 1.00 0.00 H new ATOM 827 N LEU A 51 2.193 9.963 -4.743 1.00 0.00 N ATOM 828 CA LEU A 51 2.051 9.443 -3.391 1.00 0.00 C ATOM 829 C LEU A 51 2.373 10.530 -2.370 1.00 0.00 C ATOM 830 O LEU A 51 1.592 10.790 -1.455 1.00 0.00 O ATOM 831 CB LEU A 51 2.982 8.244 -3.200 1.00 0.00 C ATOM 832 CG LEU A 51 2.614 7.298 -2.061 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.606 6.149 -1.984 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.559 8.037 -0.740 1.00 0.00 C ATOM 0 H LEU A 51 2.847 9.441 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 51 1.021 9.122 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.006 7.674 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.992 8.615 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 51 1.623 6.891 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.329 5.483 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.595 5.595 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.607 6.543 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.295 7.341 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.534 8.477 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.809 8.826 -0.795 1.00 0.00 H new ATOM 846 N LEU A 52 3.525 11.174 -2.545 1.00 0.00 N ATOM 847 CA LEU A 52 3.952 12.240 -1.654 1.00 0.00 C ATOM 848 C LEU A 52 2.873 13.302 -1.514 1.00 0.00 C ATOM 849 O LEU A 52 2.514 13.701 -0.407 1.00 0.00 O ATOM 850 CB LEU A 52 5.223 12.842 -2.181 1.00 0.00 C ATOM 851 CG LEU A 52 6.410 11.910 -2.046 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.601 12.534 -2.692 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.683 11.598 -0.583 1.00 0.00 C ATOM 0 H LEU A 52 4.179 10.972 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 52 4.131 11.824 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.089 13.103 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.431 13.769 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 52 6.189 10.967 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.458 11.867 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.392 12.709 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.824 13.483 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.539 10.927 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.898 12.523 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.808 11.120 -0.143 1.00 0.00 H new ATOM 865 N THR A 53 2.348 13.744 -2.652 1.00 0.00 N ATOM 866 CA THR A 53 1.295 14.750 -2.665 1.00 0.00 C ATOM 867 C THR A 53 0.045 14.205 -1.988 1.00 0.00 C ATOM 868 O THR A 53 -0.650 14.920 -1.265 1.00 0.00 O ATOM 869 CB THR A 53 0.974 15.166 -4.102 1.00 0.00 C ATOM 870 OG1 THR A 53 2.129 15.671 -4.747 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.102 16.227 -4.193 1.00 0.00 C ATOM 0 H THR A 53 2.635 13.421 -3.576 1.00 0.00 H new ATOM 0 HA THR A 53 1.642 15.626 -2.117 1.00 0.00 H new ATOM 0 HB THR A 53 0.612 14.261 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.904 15.930 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.280 16.476 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.023 15.851 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.221 17.120 -3.658 1.00 0.00 H new ATOM 879 N LYS A 54 -0.227 12.923 -2.219 1.00 0.00 N ATOM 880 CA LYS A 54 -1.384 12.262 -1.628 1.00 0.00 C ATOM 881 C LYS A 54 -1.321 12.341 -0.106 1.00 0.00 C ATOM 882 O LYS A 54 -2.322 12.612 0.557 1.00 0.00 O ATOM 883 CB LYS A 54 -1.439 10.798 -2.076 1.00 0.00 C ATOM 884 CG LYS A 54 -2.830 10.335 -2.475 1.00 0.00 C ATOM 885 CD LYS A 54 -3.284 10.985 -3.770 1.00 0.00 C ATOM 886 CE LYS A 54 -2.933 10.129 -4.976 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.195 10.839 -6.259 1.00 0.00 N ATOM 0 H LYS A 54 0.342 12.320 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.287 12.771 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.763 10.660 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.073 10.165 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.835 9.251 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.536 10.574 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.361 11.147 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.817 11.965 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.882 9.846 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.513 9.207 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.942 10.220 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.203 11.087 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.623 11.706 -6.299 1.00 0.00 H new ATOM 901 N LEU A 55 -0.131 12.107 0.437 1.00 0.00 N ATOM 902 CA LEU A 55 0.081 12.155 1.879 1.00 0.00 C ATOM 903 C LEU A 55 -0.256 13.535 2.429 1.00 0.00 C ATOM 904 O LEU A 55 -0.961 13.664 3.430 1.00 0.00 O ATOM 905 CB LEU A 55 1.531 11.798 2.204 1.00 0.00 C ATOM 906 CG LEU A 55 1.957 10.374 1.826 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.928 9.828 2.849 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.751 9.452 1.715 1.00 0.00 C ATOM 0 H LEU A 55 0.705 11.881 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.581 11.428 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.185 12.503 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.691 11.935 3.273 1.00 0.00 H new ATOM 0 HG LEU A 55 2.447 10.418 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.222 8.817 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.812 10.465 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.451 9.808 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.083 8.449 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.230 9.417 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.075 9.828 0.947 1.00 0.00 H new ATOM 920 N GLY A 56 0.251 14.566 1.761 1.00 0.00 N ATOM 921 CA GLY A 56 0.001 15.930 2.186 1.00 0.00 C ATOM 922 C GLY A 56 0.821 16.932 1.396 1.00 0.00 C ATOM 923 O GLY A 56 0.622 17.095 0.192 1.00 0.00 O ATOM 0 H GLY A 56 0.834 14.480 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.059 16.157 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.233 16.027 3.246 1.00 0.00 H new ATOM 927 N ARG A 57 1.747 17.602 2.074 1.00 0.00 N ATOM 928 CA ARG A 57 2.608 18.586 1.427 1.00 0.00 C ATOM 929 C ARG A 57 3.957 18.666 2.128 1.00 0.00 C ATOM 930 O ARG A 57 4.597 19.717 2.155 1.00 0.00 O ATOM 931 CB ARG A 57 1.935 19.961 1.415 1.00 0.00 C ATOM 932 CG ARG A 57 1.700 20.534 2.803 1.00 0.00 C ATOM 933 CD ARG A 57 1.953 22.033 2.838 1.00 0.00 C ATOM 934 NE ARG A 57 1.149 22.747 1.850 1.00 0.00 N ATOM 935 CZ ARG A 57 -0.149 23.002 1.995 1.00 0.00 C ATOM 936 NH1 ARG A 57 -0.793 22.602 3.084 1.00 0.00 N ATOM 937 NH2 ARG A 57 -0.806 23.659 1.049 1.00 0.00 N ATOM 0 H ARG A 57 1.921 17.482 3.072 1.00 0.00 H new ATOM 0 HA ARG A 57 2.773 18.269 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.553 20.654 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.980 19.884 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.675 20.330 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.355 20.037 3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.728 22.415 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.010 22.227 2.654 1.00 0.00 H new ATOM 0 HE ARG A 57 1.609 23.069 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.293 22.096 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.788 22.800 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.316 23.969 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.801 23.854 1.161 1.00 0.00 H new ATOM 951 N ASP A 58 4.379 17.542 2.692 1.00 0.00 N ATOM 952 CA ASP A 58 5.647 17.462 3.396 1.00 0.00 C ATOM 953 C ASP A 58 6.546 16.404 2.753 1.00 0.00 C ATOM 954 O ASP A 58 6.480 16.174 1.545 1.00 0.00 O ATOM 955 CB ASP A 58 5.398 17.142 4.874 1.00 0.00 C ATOM 956 CG ASP A 58 6.376 17.847 5.793 1.00 0.00 C ATOM 957 OD1 ASP A 58 6.281 19.086 5.924 1.00 0.00 O ATOM 958 OD2 ASP A 58 7.237 17.161 6.382 1.00 0.00 O ATOM 0 H ASP A 58 3.855 16.667 2.674 1.00 0.00 H new ATOM 0 HA ASP A 58 6.156 18.423 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.381 17.432 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.472 16.065 5.027 1.00 0.00 H new ATOM 963 N THR A 59 7.379 15.758 3.562 1.00 0.00 N ATOM 964 CA THR A 59 8.279 14.723 3.069 1.00 0.00 C ATOM 965 C THR A 59 8.000 13.394 3.762 1.00 0.00 C ATOM 966 O THR A 59 7.313 13.349 4.781 1.00 0.00 O ATOM 967 CB THR A 59 9.735 15.135 3.293 1.00 0.00 C ATOM 968 OG1 THR A 59 10.617 14.119 2.845 1.00 0.00 O ATOM 969 CG2 THR A 59 10.061 15.419 4.743 1.00 0.00 C ATOM 0 H THR A 59 7.449 15.934 4.564 1.00 0.00 H new ATOM 0 HA THR A 59 8.107 14.600 2.000 1.00 0.00 H new ATOM 0 HB THR A 59 9.867 16.054 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.544 14.401 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.109 15.705 4.831 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.431 16.231 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.878 14.525 5.339 1.00 0.00 H new ATOM 977 N GLN A 60 8.540 12.314 3.207 1.00 0.00 N ATOM 978 CA GLN A 60 8.344 10.992 3.779 1.00 0.00 C ATOM 979 C GLN A 60 9.090 10.864 5.099 1.00 0.00 C ATOM 980 O GLN A 60 10.296 10.622 5.140 1.00 0.00 O ATOM 981 CB GLN A 60 8.774 9.896 2.794 1.00 0.00 C ATOM 982 CG GLN A 60 10.282 9.720 2.643 1.00 0.00 C ATOM 983 CD GLN A 60 11.014 11.030 2.419 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.679 11.545 3.317 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.894 11.575 1.213 1.00 0.00 N ATOM 0 H GLN A 60 9.115 12.330 2.364 1.00 0.00 H new ATOM 0 HA GLN A 60 7.280 10.861 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.343 8.948 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.350 10.121 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.677 9.238 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.482 9.051 1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.332 11.113 0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.364 12.455 1.002 1.00 0.00 H new ATOM 994 N ILE A 61 8.349 11.036 6.175 1.00 0.00 N ATOM 995 CA ILE A 61 8.905 10.953 7.521 1.00 0.00 C ATOM 996 C ILE A 61 9.068 9.502 7.957 1.00 0.00 C ATOM 997 O ILE A 61 8.212 8.953 8.651 1.00 0.00 O ATOM 998 CB ILE A 61 8.015 11.686 8.542 1.00 0.00 C ATOM 999 CG1 ILE A 61 7.656 13.083 8.031 1.00 0.00 C ATOM 1000 CG2 ILE A 61 8.715 11.773 9.890 1.00 0.00 C ATOM 1001 CD1 ILE A 61 6.725 13.843 8.950 1.00 0.00 C ATOM 0 H ILE A 61 7.349 11.236 6.148 1.00 0.00 H new ATOM 0 HA ILE A 61 9.883 11.434 7.491 1.00 0.00 H new ATOM 0 HB ILE A 61 7.093 11.119 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.572 13.659 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.191 12.993 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.073 12.294 10.600 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.923 10.768 10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.652 12.320 9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.514 14.824 8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.793 13.289 9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.196 13.965 9.925 1.00 0.00 H new ATOM 1013 N GLY A 62 10.171 8.885 7.547 1.00 0.00 N ATOM 1014 CA GLY A 62 10.425 7.502 7.906 1.00 0.00 C ATOM 1015 C GLY A 62 9.301 6.577 7.480 1.00 0.00 C ATOM 1016 O GLY A 62 9.112 5.510 8.061 1.00 0.00 O ATOM 0 H GLY A 62 10.894 9.318 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.356 7.175 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.562 7.429 8.985 1.00 0.00 H new ATOM 1020 N LEU A 63 8.550 6.992 6.464 1.00 0.00 N ATOM 1021 CA LEU A 63 7.439 6.194 5.961 1.00 0.00 C ATOM 1022 C LEU A 63 7.937 4.884 5.362 1.00 0.00 C ATOM 1023 O LEU A 63 9.067 4.799 4.880 1.00 0.00 O ATOM 1024 CB LEU A 63 6.645 6.985 4.919 1.00 0.00 C ATOM 1025 CG LEU A 63 5.260 7.441 5.379 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.347 6.243 5.576 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.368 8.247 6.663 1.00 0.00 C ATOM 0 H LEU A 63 8.691 7.875 5.974 1.00 0.00 H new ATOM 0 HA LEU A 63 6.783 5.958 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.224 7.863 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.532 6.371 4.026 1.00 0.00 H new ATOM 0 HG LEU A 63 4.829 8.079 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.365 6.584 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.248 5.702 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.772 5.582 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.374 8.565 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.816 7.631 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.991 9.124 6.491 1.00 0.00 H new ATOM 1039 N THR A 64 7.088 3.863 5.399 1.00 0.00 N ATOM 1040 CA THR A 64 7.450 2.557 4.866 1.00 0.00 C ATOM 1041 C THR A 64 6.341 1.977 3.993 1.00 0.00 C ATOM 1042 O THR A 64 5.223 2.494 3.956 1.00 0.00 O ATOM 1043 CB THR A 64 7.767 1.592 6.009 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.614 1.354 6.798 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.858 2.093 6.931 1.00 0.00 C ATOM 0 H THR A 64 6.148 3.915 5.791 1.00 0.00 H new ATOM 0 HA THR A 64 8.334 2.689 4.243 1.00 0.00 H new ATOM 0 HB THR A 64 8.113 0.677 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.836 0.733 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.033 1.361 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.776 2.240 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.552 3.039 7.377 1.00 0.00 H new ATOM 1053 N MET A 65 6.662 0.889 3.303 1.00 0.00 N ATOM 1054 CA MET A 65 5.707 0.215 2.437 1.00 0.00 C ATOM 1055 C MET A 65 5.268 -1.106 3.060 1.00 0.00 C ATOM 1056 O MET A 65 5.942 -1.632 3.945 1.00 0.00 O ATOM 1057 CB MET A 65 6.325 -0.033 1.059 1.00 0.00 C ATOM 1058 CG MET A 65 6.301 1.188 0.154 1.00 0.00 C ATOM 1059 SD MET A 65 7.862 2.091 0.165 1.00 0.00 S ATOM 1060 CE MET A 65 7.564 3.270 1.481 1.00 0.00 C ATOM 0 H MET A 65 7.584 0.453 3.328 1.00 0.00 H new ATOM 0 HA MET A 65 4.832 0.855 2.320 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.357 -0.361 1.186 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.790 -0.847 0.571 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.074 0.876 -0.865 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.498 1.854 0.470 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.764 4.278 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.525 3.200 1.804 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.221 3.050 2.322 1.00 0.00 H new ATOM 1070 N PRO A 66 4.124 -1.658 2.621 1.00 0.00 N ATOM 1071 CA PRO A 66 3.276 -1.083 1.575 1.00 0.00 C ATOM 1072 C PRO A 66 2.330 -0.004 2.094 1.00 0.00 C ATOM 1073 O PRO A 66 1.801 -0.103 3.202 1.00 0.00 O ATOM 1074 CB PRO A 66 2.465 -2.292 1.073 1.00 0.00 C ATOM 1075 CG PRO A 66 2.974 -3.469 1.841 1.00 0.00 C ATOM 1076 CD PRO A 66 3.562 -2.914 3.102 1.00 0.00 C ATOM 0 HA PRO A 66 3.873 -0.588 0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.398 -2.145 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.600 -2.436 0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.169 -4.170 2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.723 -4.015 1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.809 -2.759 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.322 -3.570 3.525 1.00 0.00 H new ATOM 1084 N GLN A 67 2.099 1.012 1.266 1.00 0.00 N ATOM 1085 CA GLN A 67 1.197 2.100 1.620 1.00 0.00 C ATOM 1086 C GLN A 67 -0.109 1.965 0.848 1.00 0.00 C ATOM 1087 O GLN A 67 -0.107 1.863 -0.375 1.00 0.00 O ATOM 1088 CB GLN A 67 1.848 3.451 1.319 1.00 0.00 C ATOM 1089 CG GLN A 67 3.156 3.676 2.062 1.00 0.00 C ATOM 1090 CD GLN A 67 3.053 4.768 3.108 1.00 0.00 C ATOM 1091 OE1 GLN A 67 2.697 4.510 4.258 1.00 0.00 O ATOM 1092 NE2 GLN A 67 3.364 5.997 2.711 1.00 0.00 N ATOM 0 H GLN A 67 2.526 1.103 0.344 1.00 0.00 H new ATOM 0 HA GLN A 67 0.986 2.046 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.031 3.526 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.150 4.247 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.461 2.746 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.936 3.936 1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.654 6.164 1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.313 6.774 3.370 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.226 1.946 1.562 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.522 1.805 0.914 1.00 0.00 C ATOM 1103 C VAL A 68 -3.218 3.149 0.746 1.00 0.00 C ATOM 1104 O VAL A 68 -2.886 4.122 1.423 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.448 0.847 1.693 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.618 0.413 0.824 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.671 -0.362 2.196 1.00 0.00 C ATOM 0 H VAL A 68 -1.262 2.025 2.578 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.326 1.384 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.843 1.379 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.260 -0.262 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.191 1.289 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.243 -0.100 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.342 -1.024 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.243 -0.898 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.871 -0.031 2.858 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.189 3.194 -0.162 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.933 4.420 -0.424 1.00 0.00 C ATOM 1119 C PHE A 69 -6.400 4.116 -0.706 1.00 0.00 C ATOM 1120 O PHE A 69 -6.727 3.227 -1.493 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.306 5.172 -1.595 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.148 6.032 -1.183 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.358 7.335 -0.766 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.853 5.535 -1.198 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.297 8.129 -0.375 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.789 6.324 -0.807 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.012 7.622 -0.396 1.00 0.00 C ATOM 0 H PHE A 69 -4.478 2.396 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.886 5.050 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.971 4.454 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.065 5.795 -2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.361 7.735 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.675 4.519 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.472 9.145 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.215 5.926 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.182 8.242 -0.091 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.278 4.854 -0.033 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.719 4.666 -0.172 1.00 0.00 C ATOM 1139 C ALA A 70 -9.215 4.978 -1.583 1.00 0.00 C ATOM 1140 O ALA A 70 -8.743 5.915 -2.227 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.456 5.525 0.844 1.00 0.00 C ATOM 0 H ALA A 70 -7.014 5.593 0.619 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.928 3.613 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.530 5.379 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.153 5.238 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.214 6.575 0.677 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.199 4.194 -2.070 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.792 4.378 -3.402 1.00 0.00 C ATOM 1149 C PRO A 71 -11.024 5.847 -3.745 1.00 0.00 C ATOM 1150 O PRO A 71 -10.962 6.241 -4.909 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.122 3.641 -3.263 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.812 2.514 -2.343 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.827 3.067 -1.349 1.00 0.00 C ATOM 0 HA PRO A 71 -10.150 4.011 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.897 4.289 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.483 3.282 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.713 2.155 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.389 1.669 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.322 3.401 -0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.091 2.319 -1.056 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.292 6.650 -2.722 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.533 8.076 -2.910 1.00 0.00 C ATOM 1163 C ASP A 72 -11.429 8.817 -1.582 1.00 0.00 C ATOM 1164 O ASP A 72 -12.157 9.778 -1.336 1.00 0.00 O ATOM 1165 CB ASP A 72 -12.914 8.304 -3.528 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.033 7.774 -2.654 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -13.905 6.640 -2.147 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.039 8.493 -2.476 1.00 0.00 O ATOM 0 H ASP A 72 -11.348 6.338 -1.753 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.773 8.465 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.062 9.371 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.957 7.819 -4.503 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.519 8.358 -0.727 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.332 8.982 0.572 1.00 0.00 C ATOM 1175 C GLY A 73 -8.941 9.560 0.745 1.00 0.00 C ATOM 1176 O GLY A 73 -8.661 10.672 0.295 1.00 0.00 O ATOM 0 H GLY A 73 -9.907 7.563 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.069 9.774 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.516 8.246 1.355 1.00 0.00 H new ATOM 1180 N SER A 74 -8.069 8.803 1.403 1.00 0.00 N ATOM 1181 CA SER A 74 -6.699 9.241 1.643 1.00 0.00 C ATOM 1182 C SER A 74 -5.825 8.074 2.083 1.00 0.00 C ATOM 1183 O SER A 74 -6.308 6.957 2.273 1.00 0.00 O ATOM 1184 CB SER A 74 -6.670 10.343 2.703 1.00 0.00 C ATOM 1185 OG SER A 74 -7.335 11.508 2.247 1.00 0.00 O ATOM 0 H SER A 74 -8.288 7.881 1.780 1.00 0.00 H new ATOM 0 HA SER A 74 -6.302 9.637 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.143 9.985 3.617 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.637 10.585 2.953 1.00 0.00 H new ATOM 0 HG SER A 74 -7.566 11.404 1.300 1.00 0.00 H new ATOM 1191 N HIS A 75 -4.535 8.345 2.241 1.00 0.00 N ATOM 1192 CA HIS A 75 -3.579 7.327 2.659 1.00 0.00 C ATOM 1193 C HIS A 75 -4.077 6.584 3.898 1.00 0.00 C ATOM 1194 O HIS A 75 -3.995 7.094 5.014 1.00 0.00 O ATOM 1195 CB HIS A 75 -2.229 7.981 2.944 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.158 7.012 3.335 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -0.349 7.163 4.439 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -0.761 5.861 2.736 1.00 0.00 C ATOM 1199 CE1 HIS A 75 0.494 6.123 4.476 1.00 0.00 C ATOM 1200 NE2 HIS A 75 0.285 5.303 3.464 1.00 0.00 N ATOM 0 H HIS A 75 -4.125 9.266 2.085 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.468 6.601 1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.906 8.527 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.352 8.713 3.742 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.385 7.931 5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.189 5.444 1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.247 5.975 5.236 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.600 5.380 3.686 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.120 4.568 4.780 1.00 0.00 C ATOM 1210 C ILE A 76 -4.004 4.111 5.713 1.00 0.00 C ATOM 1211 O ILE A 76 -4.080 4.299 6.927 1.00 0.00 O ATOM 1212 CB ILE A 76 -5.867 3.325 4.259 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -6.860 3.712 3.161 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.578 2.617 5.401 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -6.808 2.794 1.960 1.00 0.00 C ATOM 0 H ILE A 76 -4.675 4.945 2.766 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.816 5.202 5.329 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.137 2.639 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.869 3.704 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.656 4.733 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.101 1.741 5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.847 2.305 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.297 3.297 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.536 3.123 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.809 2.821 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.041 1.775 2.270 1.00 0.00 H new ATOM 1227 N GLY A 77 -2.973 3.499 5.139 1.00 0.00 N ATOM 1228 CA GLY A 77 -1.863 3.020 5.940 1.00 0.00 C ATOM 1229 C GLY A 77 -1.369 1.659 5.501 1.00 0.00 C ATOM 1230 O GLY A 77 -1.463 1.302 4.327 1.00 0.00 O ATOM 0 H GLY A 77 -2.887 3.327 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.043 3.736 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.169 2.971 6.985 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.832 0.905 6.450 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.317 -0.418 6.150 1.00 0.00 C ATOM 1236 C GLY A 78 -1.342 -1.513 6.381 1.00 0.00 C ATOM 1237 O GLY A 78 -2.527 -1.332 6.096 1.00 0.00 O ATOM 0 H GLY A 78 -0.743 1.186 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.013 -0.448 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.560 -0.611 6.768 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.885 -2.652 6.894 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.772 -3.783 7.158 1.00 0.00 C ATOM 1243 C PHE A 79 -2.705 -3.483 8.326 1.00 0.00 C ATOM 1244 O PHE A 79 -3.906 -3.290 8.139 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.954 -5.043 7.453 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.797 -6.249 7.761 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.864 -6.592 6.944 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.526 -7.035 8.870 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.644 -7.697 7.228 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.303 -8.142 9.158 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.364 -8.473 8.336 1.00 0.00 C ATOM 0 H PHE A 79 0.092 -2.817 7.135 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.378 -3.952 6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.319 -5.263 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.292 -4.847 8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.088 -5.989 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.699 -6.780 9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.472 -7.954 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.081 -8.747 10.024 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.973 -9.337 8.560 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.145 -3.440 9.532 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.933 -3.160 10.728 1.00 0.00 C ATOM 1263 C ASP A 80 -3.615 -1.803 10.610 1.00 0.00 C ATOM 1264 O ASP A 80 -4.797 -1.655 10.933 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.045 -3.192 11.973 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.850 -3.186 13.258 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.713 -2.296 13.414 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.618 -4.072 14.107 1.00 0.00 O ATOM 0 H ASP A 80 -1.152 -3.595 9.706 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.698 -3.931 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.417 -4.082 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.377 -2.331 11.962 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.863 -0.814 10.139 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.391 0.533 9.968 1.00 0.00 C ATOM 1275 C GLN A 81 -4.667 0.502 9.137 1.00 0.00 C ATOM 1276 O GLN A 81 -5.600 1.267 9.383 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.351 1.433 9.297 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.349 2.858 9.824 1.00 0.00 C ATOM 1279 CD GLN A 81 -0.981 3.508 9.748 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.683 4.247 8.811 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.139 3.230 10.737 1.00 0.00 N ATOM 0 H GLN A 81 -1.885 -0.921 9.869 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.623 0.938 10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.361 1.000 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.538 1.452 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.062 3.453 9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.690 2.859 10.859 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.429 2.611 11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.797 3.635 10.739 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.704 -0.397 8.156 1.00 0.00 N ATOM 1291 CA LEU A 82 -5.871 -0.529 7.298 1.00 0.00 C ATOM 1292 C LEU A 82 -6.964 -1.346 7.973 1.00 0.00 C ATOM 1293 O LEU A 82 -8.147 -1.062 7.800 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.506 -1.154 5.964 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.687 -1.257 5.009 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.296 -0.847 3.605 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.249 -2.658 5.032 1.00 0.00 C ATOM 0 H LEU A 82 -3.942 -1.040 7.939 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.252 0.476 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.719 -0.563 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.098 -2.150 6.136 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.462 -0.567 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.161 -0.932 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.945 0.185 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.500 -1.499 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.094 -2.723 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.478 -3.365 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.582 -2.900 6.041 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.576 -2.344 8.764 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.558 -3.160 9.474 1.00 0.00 C ATOM 1311 C ARG A 83 -8.518 -2.248 10.225 1.00 0.00 C ATOM 1312 O ARG A 83 -9.690 -2.573 10.408 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.865 -4.118 10.446 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.553 -5.467 10.564 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.608 -6.531 11.103 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.874 -6.841 12.504 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.422 -7.931 13.122 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.682 -8.815 12.464 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.710 -8.136 14.400 1.00 0.00 N ATOM 0 H ARG A 83 -5.604 -2.605 8.928 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.114 -3.758 8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.836 -4.271 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.822 -3.654 11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.417 -5.379 11.223 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.927 -5.772 9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.706 -7.438 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.579 -6.189 10.997 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.439 -6.184 13.042 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.457 -8.661 11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.338 -9.648 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.278 -7.459 14.910 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.364 -8.971 14.873 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.011 -1.084 10.630 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.827 -0.102 11.323 1.00 0.00 C ATOM 1335 C GLU A 84 -9.847 0.476 10.353 1.00 0.00 C ATOM 1336 O GLU A 84 -10.985 0.762 10.724 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.953 1.013 11.903 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.629 1.799 13.015 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.573 1.085 14.351 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -9.089 -0.049 14.441 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.012 1.659 15.308 1.00 0.00 O ATOM 0 H GLU A 84 -7.041 -0.803 10.488 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.346 -0.588 12.149 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.030 0.578 12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.674 1.698 11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.151 2.774 13.108 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.670 1.979 12.747 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.432 0.617 9.095 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.305 1.123 8.051 1.00 0.00 C ATOM 1350 C TYR A 85 -11.471 0.160 7.859 1.00 0.00 C ATOM 1351 O TYR A 85 -12.595 0.568 7.572 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.514 1.268 6.749 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.246 2.002 5.650 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.347 1.436 5.022 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.824 3.257 5.233 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.011 2.102 4.011 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.482 3.930 4.222 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.574 3.348 3.613 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.231 4.015 2.605 1.00 0.00 O ATOM 0 H TYR A 85 -8.490 0.385 8.779 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.695 2.100 8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.582 1.793 6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.246 0.275 6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.690 0.459 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.968 3.714 5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.868 1.650 3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.143 4.907 3.910 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.797 4.879 2.447 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.180 -1.127 8.039 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.178 -2.183 7.900 1.00 0.00 C ATOM 1371 C PHE A 86 -12.911 -2.429 9.216 1.00 0.00 C ATOM 1372 O PHE A 86 -14.093 -2.111 9.348 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.499 -3.472 7.420 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.275 -3.509 5.935 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.267 -3.091 5.061 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.069 -3.942 5.413 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.055 -3.101 3.697 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.856 -3.959 4.050 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.849 -3.537 3.191 1.00 0.00 C ATOM 0 H PHE A 86 -10.249 -1.465 8.284 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.916 -1.865 7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.541 -3.580 7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.111 -4.326 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.216 -2.754 5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.286 -4.270 6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.833 -2.767 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.911 -4.303 3.656 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.682 -3.548 2.124 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.203 -3.000 10.187 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.786 -3.290 11.495 1.00 0.00 C ATOM 1391 C LYS A 87 -11.978 -2.631 12.608 1.00 0.00 C ATOM 1392 O LYS A 87 -11.983 -3.164 13.738 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.849 -4.802 11.722 1.00 0.00 C ATOM 1394 CG LYS A 87 -11.506 -5.497 11.559 1.00 0.00 C ATOM 1395 CD LYS A 87 -11.612 -6.987 11.842 1.00 0.00 C ATOM 1396 CE LYS A 87 -11.622 -7.270 13.336 1.00 0.00 C ATOM 1397 NZ LYS A 87 -12.205 -8.605 13.644 1.00 0.00 N ATOM 1398 OXT LYS A 87 -11.345 -1.588 12.341 1.00 0.00 O ATOM 0 H LYS A 87 -11.224 -3.271 10.093 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.797 -2.883 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.230 -4.995 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.562 -5.237 11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.136 -5.344 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.778 -5.048 12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.522 -7.381 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.774 -7.507 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.604 -7.221 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.195 -6.497 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.194 -8.760 14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.185 -8.644 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.644 -9.345 13.176 1.00 0.00 H new