USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 65 MET CE :methyl 139:sc= -2.61 (180deg=-6.02!) USER MOD Set 1.2: A 67 GLN : amide:sc= -5.03! C(o=-11!,f=-11!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -3.47 X(o=-11,f=-11) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.314 (180deg=-0.314) USER MOD Single : A 1 MET N :NH3+ -101:sc= -3.2! (180deg=-6.17!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 7 TYR OH : rot 17:sc= 0.652 USER MOD Single : A 9 SER OG : rot -92:sc= -0.427 USER MOD Single : A 10 ASN : amide:sc= -0.693 K(o=-0.69,f=-2.1!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=-0.24) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.381) USER MOD Single : A 14 CYS SG : rot 64:sc= -0.185 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -54:sc= 0.629 USER MOD Single : A 19 ASN : amide:sc= -0.221 K(o=-0.22,f=-0.8) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.0842 (180deg=-0.721) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -2.63! F(o=-3.6,f=-2.6!) USER MOD Single : A 35 ASN : amide:sc= -0.372 K(o=-0.37,f=-6.1!) USER MOD Single : A 37 MET CE :methyl -116:sc= -1.24 (180deg=-6.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0587) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.248 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.025) USER MOD Single : A 59 THR OG1 : rot -90:sc= -0.517 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) 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 4.212 -1.780 12.235 1.00 0.00 N ATOM 2 CA MET A 1 3.164 -2.355 11.347 1.00 0.00 C ATOM 3 C MET A 1 3.177 -1.702 9.970 1.00 0.00 C ATOM 4 O MET A 1 3.028 -0.488 9.847 1.00 0.00 O ATOM 5 CB MET A 1 1.814 -2.155 12.030 1.00 0.00 C ATOM 6 CG MET A 1 0.605 -2.533 11.199 1.00 0.00 C ATOM 7 SD MET A 1 -0.916 -1.807 11.839 1.00 0.00 S ATOM 8 CE MET A 1 -1.496 -3.119 12.910 1.00 0.00 C ATOM 0 H1 MET A 1 5.028 -2.424 12.271 1.00 0.00 H new ATOM 0 H2 MET A 1 4.515 -0.858 11.862 1.00 0.00 H new ATOM 0 H3 MET A 1 3.826 -1.657 13.193 1.00 0.00 H new ATOM 0 HA MET A 1 3.357 -3.416 11.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.800 -2.741 12.949 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.723 -1.108 12.318 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.757 -2.206 10.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.506 -3.618 11.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.432 -2.818 13.380 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.659 -4.023 12.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.750 -3.316 13.680 1.00 0.00 H new ATOM 20 N PHE A 2 3.355 -2.517 8.934 1.00 0.00 N ATOM 21 CA PHE A 2 3.393 -2.008 7.573 1.00 0.00 C ATOM 22 C PHE A 2 2.087 -1.312 7.225 1.00 0.00 C ATOM 23 O PHE A 2 1.023 -1.673 7.728 1.00 0.00 O ATOM 24 CB PHE A 2 3.674 -3.134 6.577 1.00 0.00 C ATOM 25 CG PHE A 2 5.053 -3.716 6.700 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.141 -3.070 6.139 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.260 -4.908 7.372 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.411 -3.601 6.246 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.528 -5.446 7.481 1.00 0.00 C ATOM 30 CZ PHE A 2 7.604 -4.791 6.918 1.00 0.00 C ATOM 0 H PHE A 2 3.474 -3.527 9.013 1.00 0.00 H new ATOM 0 HA PHE A 2 4.203 -1.282 7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.940 -3.927 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.538 -2.754 5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.995 -2.139 5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.421 -5.423 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.252 -3.086 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.677 -6.378 8.006 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.596 -5.209 7.003 1.00 0.00 H new ATOM 40 N LYS A 3 2.181 -0.305 6.371 1.00 0.00 N ATOM 41 CA LYS A 3 1.015 0.457 5.961 1.00 0.00 C ATOM 42 C LYS A 3 0.891 0.475 4.446 1.00 0.00 C ATOM 43 O LYS A 3 1.770 0.980 3.753 1.00 0.00 O ATOM 44 CB LYS A 3 1.122 1.887 6.487 1.00 0.00 C ATOM 45 CG LYS A 3 0.517 2.074 7.867 1.00 0.00 C ATOM 46 CD LYS A 3 1.482 1.626 8.954 1.00 0.00 C ATOM 47 CE LYS A 3 1.487 2.590 10.130 1.00 0.00 C ATOM 48 NZ LYS A 3 0.675 2.079 11.268 1.00 0.00 N ATOM 0 H LYS A 3 3.056 0.003 5.948 1.00 0.00 H new ATOM 0 HA LYS A 3 0.126 -0.018 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.172 2.176 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.626 2.560 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.259 3.123 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.409 1.504 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.204 0.630 9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.488 1.551 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.513 2.755 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.096 3.556 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.703 2.764 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.309 1.946 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.063 1.170 11.590 1.00 0.00 H new ATOM 62 N VAL A 4 -0.200 -0.075 3.932 1.00 0.00 N ATOM 63 CA VAL A 4 -0.415 -0.104 2.491 1.00 0.00 C ATOM 64 C VAL A 4 -1.524 0.852 2.076 1.00 0.00 C ATOM 65 O VAL A 4 -2.519 1.013 2.776 1.00 0.00 O ATOM 66 CB VAL A 4 -0.768 -1.520 1.980 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.138 -1.490 0.503 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.388 -2.471 2.193 1.00 0.00 C ATOM 0 H VAL A 4 -0.943 -0.503 4.484 1.00 0.00 H new ATOM 0 HA VAL A 4 0.528 0.208 2.042 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.627 -1.871 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.382 -2.498 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.001 -0.841 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.296 -1.110 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.117 -3.461 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.261 -2.109 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.620 -2.529 3.256 1.00 0.00 H new ATOM 78 N TYR A 5 -1.349 1.454 0.912 1.00 0.00 N ATOM 79 CA TYR A 5 -2.334 2.364 0.360 1.00 0.00 C ATOM 80 C TYR A 5 -2.718 1.894 -1.031 1.00 0.00 C ATOM 81 O TYR A 5 -1.990 2.127 -1.994 1.00 0.00 O ATOM 82 CB TYR A 5 -1.789 3.790 0.291 1.00 0.00 C ATOM 83 CG TYR A 5 -1.603 4.446 1.638 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.734 3.913 2.579 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.283 5.615 1.958 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.545 4.528 3.803 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.102 6.234 3.180 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.230 5.687 4.098 1.00 0.00 C ATOM 89 OH TYR A 5 -1.044 6.302 5.315 1.00 0.00 O ATOM 0 H TYR A 5 -0.524 1.326 0.326 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.209 2.369 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.831 3.776 -0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.468 4.398 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.197 3.004 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.964 6.047 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.136 4.102 4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.640 7.141 3.415 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.600 7.108 5.363 1.00 0.00 H new ATOM 99 N GLY A 6 -3.849 1.211 -1.129 1.00 0.00 N ATOM 100 CA GLY A 6 -4.294 0.707 -2.403 1.00 0.00 C ATOM 101 C GLY A 6 -5.746 0.294 -2.369 1.00 0.00 C ATOM 102 O GLY A 6 -6.547 0.864 -1.629 1.00 0.00 O ATOM 0 H GLY A 6 -4.465 0.999 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.152 1.472 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.680 -0.147 -2.690 1.00 0.00 H new ATOM 106 N TYR A 7 -6.080 -0.699 -3.172 1.00 0.00 N ATOM 107 CA TYR A 7 -7.437 -1.203 -3.251 1.00 0.00 C ATOM 108 C TYR A 7 -7.567 -2.552 -2.555 1.00 0.00 C ATOM 109 O TYR A 7 -6.603 -3.310 -2.468 1.00 0.00 O ATOM 110 CB TYR A 7 -7.835 -1.329 -4.712 1.00 0.00 C ATOM 111 CG TYR A 7 -7.661 -0.042 -5.474 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.520 1.024 -5.265 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.627 0.114 -6.386 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.359 2.211 -5.945 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.456 1.300 -7.071 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.324 2.345 -6.847 1.00 0.00 C ATOM 117 OH TYR A 7 -7.155 3.528 -7.528 1.00 0.00 O ATOM 0 H TYR A 7 -5.420 -1.177 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.101 -0.503 -2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.235 -2.109 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.876 -1.646 -4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.329 0.923 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.946 -0.705 -6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.039 3.032 -5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.647 1.408 -7.778 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.657 4.239 -7.078 1.00 0.00 H new ATOM 127 N ASP A 8 -8.763 -2.847 -2.059 1.00 0.00 N ATOM 128 CA ASP A 8 -9.003 -4.111 -1.374 1.00 0.00 C ATOM 129 C ASP A 8 -9.027 -5.266 -2.372 1.00 0.00 C ATOM 130 O ASP A 8 -8.182 -6.158 -2.313 1.00 0.00 O ATOM 131 CB ASP A 8 -10.313 -4.064 -0.575 1.00 0.00 C ATOM 132 CG ASP A 8 -11.437 -3.371 -1.321 1.00 0.00 C ATOM 133 OD1 ASP A 8 -11.285 -3.133 -2.537 1.00 0.00 O ATOM 134 OD2 ASP A 8 -12.470 -3.067 -0.687 1.00 0.00 O ATOM 0 H ASP A 8 -9.576 -2.233 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.185 -4.275 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.620 -5.081 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.138 -3.548 0.369 1.00 0.00 H new ATOM 139 N SER A 9 -9.994 -5.240 -3.292 1.00 0.00 N ATOM 140 CA SER A 9 -10.126 -6.283 -4.311 1.00 0.00 C ATOM 141 C SER A 9 -11.532 -6.292 -4.899 1.00 0.00 C ATOM 142 O SER A 9 -11.728 -6.613 -6.072 1.00 0.00 O ATOM 143 CB SER A 9 -9.812 -7.665 -3.724 1.00 0.00 C ATOM 144 OG SER A 9 -10.201 -7.740 -2.362 1.00 0.00 O ATOM 0 H SER A 9 -10.699 -4.505 -3.352 1.00 0.00 H new ATOM 0 HA SER A 9 -9.409 -6.061 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.331 -8.434 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.745 -7.868 -3.813 1.00 0.00 H new ATOM 0 HG SER A 9 -9.442 -7.497 -1.791 1.00 0.00 H new ATOM 150 N ASN A 10 -12.511 -5.946 -4.072 1.00 0.00 N ATOM 151 CA ASN A 10 -13.903 -5.926 -4.501 1.00 0.00 C ATOM 152 C ASN A 10 -14.261 -4.605 -5.172 1.00 0.00 C ATOM 153 O ASN A 10 -15.212 -4.537 -5.952 1.00 0.00 O ATOM 154 CB ASN A 10 -14.822 -6.170 -3.304 1.00 0.00 C ATOM 155 CG ASN A 10 -14.701 -5.082 -2.257 1.00 0.00 C ATOM 156 OD1 ASN A 10 -15.274 -4.002 -2.399 1.00 0.00 O ATOM 157 ND2 ASN A 10 -13.951 -5.360 -1.195 1.00 0.00 N ATOM 0 H ASN A 10 -12.366 -5.675 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.040 -6.722 -5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.855 -6.228 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.581 -7.133 -2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.833 -4.665 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.494 -6.268 -1.117 1.00 0.00 H new ATOM 164 N ILE A 11 -13.504 -3.555 -4.872 1.00 0.00 N ATOM 165 CA ILE A 11 -13.765 -2.246 -5.455 1.00 0.00 C ATOM 166 C ILE A 11 -13.029 -2.083 -6.781 1.00 0.00 C ATOM 167 O ILE A 11 -13.568 -1.517 -7.731 1.00 0.00 O ATOM 168 CB ILE A 11 -13.356 -1.097 -4.507 1.00 0.00 C ATOM 169 CG1 ILE A 11 -13.809 -1.392 -3.078 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.948 0.220 -4.988 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.105 -0.557 -2.030 1.00 0.00 C ATOM 0 H ILE A 11 -12.710 -3.585 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.841 -2.190 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.269 -1.015 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.883 -1.221 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.639 -2.447 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.652 1.021 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.582 0.439 -5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.035 0.145 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.479 -0.823 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.032 -0.746 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.296 0.500 -2.218 1.00 0.00 H new ATOM 183 N HIS A 12 -11.804 -2.597 -6.849 1.00 0.00 N ATOM 184 CA HIS A 12 -11.019 -2.512 -8.073 1.00 0.00 C ATOM 185 C HIS A 12 -10.113 -3.723 -8.229 1.00 0.00 C ATOM 186 O HIS A 12 -9.545 -4.223 -7.257 1.00 0.00 O ATOM 187 CB HIS A 12 -10.187 -1.231 -8.107 1.00 0.00 C ATOM 188 CG HIS A 12 -9.747 -0.841 -9.483 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.567 -0.872 -10.588 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.540 -0.407 -9.924 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.849 -0.471 -11.643 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.611 -0.175 -11.295 1.00 0.00 N ATOM 0 H HIS A 12 -11.338 -3.073 -6.077 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.720 -2.493 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.770 -0.417 -7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.308 -1.362 -7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.663 -0.264 -9.310 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.233 -0.399 -12.650 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.862 0.155 -11.904 1.00 0.00 H new ATOM 200 N LYS A 13 -9.987 -4.184 -9.464 1.00 0.00 N ATOM 201 CA LYS A 13 -9.153 -5.342 -9.777 1.00 0.00 C ATOM 202 C LYS A 13 -7.691 -5.080 -9.426 1.00 0.00 C ATOM 203 O LYS A 13 -7.180 -3.982 -9.644 1.00 0.00 O ATOM 204 CB LYS A 13 -9.278 -5.702 -11.261 1.00 0.00 C ATOM 205 CG LYS A 13 -9.685 -7.146 -11.502 1.00 0.00 C ATOM 206 CD LYS A 13 -8.598 -8.113 -11.060 1.00 0.00 C ATOM 207 CE LYS A 13 -8.024 -8.887 -12.236 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.631 -10.272 -11.852 1.00 0.00 N ATOM 0 H LYS A 13 -10.454 -3.773 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.504 -6.180 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.012 -5.044 -11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.324 -5.515 -11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.606 -7.361 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.896 -7.294 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.800 -7.561 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.007 -8.811 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.761 -8.928 -13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.155 -8.359 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.892 -10.615 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.266 -10.272 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.460 -10.897 -11.911 1.00 0.00 H new ATOM 222 N CYS A 14 -7.022 -6.096 -8.880 1.00 0.00 N ATOM 223 CA CYS A 14 -5.615 -5.973 -8.504 1.00 0.00 C ATOM 224 C CYS A 14 -5.129 -7.219 -7.765 1.00 0.00 C ATOM 225 O CYS A 14 -5.467 -7.433 -6.600 1.00 0.00 O ATOM 226 CB CYS A 14 -5.397 -4.732 -7.634 1.00 0.00 C ATOM 227 SG CYS A 14 -4.418 -3.441 -8.437 1.00 0.00 S ATOM 0 H CYS A 14 -7.431 -7.011 -8.689 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.035 -5.870 -9.421 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.367 -4.320 -7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.901 -5.030 -6.710 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.061 -2.990 -9.473 1.00 0.00 H new ATOM 233 N VAL A 15 -4.329 -8.032 -8.448 1.00 0.00 N ATOM 234 CA VAL A 15 -3.791 -9.257 -7.862 1.00 0.00 C ATOM 235 C VAL A 15 -2.507 -8.984 -7.081 1.00 0.00 C ATOM 236 O VAL A 15 -2.154 -9.729 -6.166 1.00 0.00 O ATOM 237 CB VAL A 15 -3.494 -10.310 -8.946 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.785 -10.793 -9.589 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.550 -9.741 -9.995 1.00 0.00 C ATOM 0 H VAL A 15 -4.038 -7.865 -9.411 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.553 -9.639 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.008 -11.164 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.555 -11.536 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.425 -11.240 -8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.301 -9.949 -10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.350 -10.498 -10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.009 -8.870 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.614 -9.447 -9.521 1.00 0.00 H new ATOM 249 N TYR A 16 -1.806 -7.918 -7.455 1.00 0.00 N ATOM 250 CA TYR A 16 -0.555 -7.555 -6.797 1.00 0.00 C ATOM 251 C TYR A 16 -0.763 -7.302 -5.306 1.00 0.00 C ATOM 252 O TYR A 16 0.111 -7.599 -4.493 1.00 0.00 O ATOM 253 CB TYR A 16 0.054 -6.315 -7.456 1.00 0.00 C ATOM 254 CG TYR A 16 1.356 -6.593 -8.175 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.453 -7.625 -9.101 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.488 -5.824 -7.929 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.641 -7.884 -9.759 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.679 -6.077 -8.583 1.00 0.00 C ATOM 259 CZ TYR A 16 3.750 -7.108 -9.497 1.00 0.00 C ATOM 260 OH TYR A 16 4.935 -7.364 -10.150 1.00 0.00 O ATOM 0 H TYR A 16 -2.083 -7.290 -8.210 1.00 0.00 H new ATOM 0 HA TYR A 16 0.132 -8.394 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.663 -5.901 -8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.224 -5.554 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.586 -8.234 -9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.436 -5.015 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.700 -8.690 -10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.549 -5.471 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 16 5.617 -6.726 -9.852 1.00 0.00 H new ATOM 270 N CYS A 17 -1.917 -6.747 -4.951 1.00 0.00 N ATOM 271 CA CYS A 17 -2.216 -6.460 -3.554 1.00 0.00 C ATOM 272 C CYS A 17 -2.365 -7.752 -2.758 1.00 0.00 C ATOM 273 O CYS A 17 -1.856 -7.869 -1.643 1.00 0.00 O ATOM 274 CB CYS A 17 -3.486 -5.611 -3.435 1.00 0.00 C ATOM 275 SG CYS A 17 -5.009 -6.476 -3.888 1.00 0.00 S ATOM 0 H CYS A 17 -2.655 -6.489 -5.606 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.382 -5.893 -3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.576 -5.256 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.380 -4.731 -4.069 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.884 -6.979 -5.080 1.00 0.00 H new ATOM 281 N ASP A 18 -3.054 -8.725 -3.344 1.00 0.00 N ATOM 282 CA ASP A 18 -3.266 -10.014 -2.694 1.00 0.00 C ATOM 283 C ASP A 18 -1.940 -10.734 -2.463 1.00 0.00 C ATOM 284 O ASP A 18 -1.827 -11.578 -1.573 1.00 0.00 O ATOM 285 CB ASP A 18 -4.188 -10.888 -3.547 1.00 0.00 C ATOM 286 CG ASP A 18 -5.645 -10.745 -3.153 1.00 0.00 C ATOM 287 OD1 ASP A 18 -6.100 -9.596 -2.976 1.00 0.00 O ATOM 288 OD2 ASP A 18 -6.330 -11.781 -3.020 1.00 0.00 O ATOM 0 H ASP A 18 -3.476 -8.646 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.734 -9.833 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.070 -10.620 -4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.888 -11.931 -3.449 1.00 0.00 H new ATOM 293 N ASN A 19 -0.940 -10.403 -3.276 1.00 0.00 N ATOM 294 CA ASN A 19 0.376 -11.023 -3.166 1.00 0.00 C ATOM 295 C ASN A 19 1.173 -10.426 -2.011 1.00 0.00 C ATOM 296 O ASN A 19 1.663 -11.150 -1.144 1.00 0.00 O ATOM 297 CB ASN A 19 1.150 -10.853 -4.475 1.00 0.00 C ATOM 298 CG ASN A 19 0.584 -11.703 -5.595 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.150 -12.833 -5.373 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.586 -11.161 -6.807 1.00 0.00 N ATOM 0 H ASN A 19 -1.017 -9.708 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 19 0.231 -12.085 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.130 -9.805 -4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.195 -11.118 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.217 -11.685 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.956 -10.220 -6.944 1.00 0.00 H new ATOM 307 N ALA A 20 1.302 -9.103 -2.005 1.00 0.00 N ATOM 308 CA ALA A 20 2.044 -8.411 -0.956 1.00 0.00 C ATOM 309 C ALA A 20 1.532 -8.806 0.425 1.00 0.00 C ATOM 310 O ALA A 20 2.313 -9.088 1.333 1.00 0.00 O ATOM 311 CB ALA A 20 1.948 -6.904 -1.146 1.00 0.00 C ATOM 0 H ALA A 20 0.903 -8.488 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 20 3.090 -8.707 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.506 -6.401 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.366 -6.632 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.903 -6.598 -1.103 1.00 0.00 H new ATOM 317 N LYS A 21 0.212 -8.831 0.572 1.00 0.00 N ATOM 318 CA LYS A 21 -0.410 -9.196 1.839 1.00 0.00 C ATOM 319 C LYS A 21 -0.016 -10.611 2.248 1.00 0.00 C ATOM 320 O LYS A 21 0.439 -10.840 3.369 1.00 0.00 O ATOM 321 CB LYS A 21 -1.932 -9.089 1.730 1.00 0.00 C ATOM 322 CG LYS A 21 -2.656 -9.340 3.042 1.00 0.00 C ATOM 323 CD LYS A 21 -3.977 -10.059 2.821 1.00 0.00 C ATOM 324 CE LYS A 21 -5.080 -9.091 2.428 1.00 0.00 C ATOM 325 NZ LYS A 21 -4.982 -8.688 0.998 1.00 0.00 N ATOM 0 H LYS A 21 -0.448 -8.603 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.057 -8.504 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.193 -8.095 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.286 -9.804 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.023 -9.935 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.837 -8.391 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.857 -10.811 2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.262 -10.586 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.050 -9.553 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.027 -8.204 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.917 -8.383 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.307 -7.903 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.654 -9.496 0.431 1.00 0.00 H new ATOM 339 N ARG A 22 -0.190 -11.560 1.331 1.00 0.00 N ATOM 340 CA ARG A 22 0.151 -12.953 1.598 1.00 0.00 C ATOM 341 C ARG A 22 1.621 -13.083 1.984 1.00 0.00 C ATOM 342 O ARG A 22 1.975 -13.853 2.876 1.00 0.00 O ATOM 343 CB ARG A 22 -0.145 -13.821 0.374 1.00 0.00 C ATOM 344 CG ARG A 22 0.170 -15.294 0.580 1.00 0.00 C ATOM 345 CD ARG A 22 -0.681 -16.178 -0.317 1.00 0.00 C ATOM 346 NE ARG A 22 0.001 -16.508 -1.567 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.342 -17.527 -2.352 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.355 -18.318 -2.022 1.00 0.00 N ATOM 349 NH2 ARG A 22 0.331 -17.755 -3.471 1.00 0.00 N ATOM 0 H ARG A 22 -0.565 -11.389 0.398 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.461 -13.298 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.198 -13.717 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.433 -13.450 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.225 -15.474 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.001 -15.561 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.932 -17.097 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.620 -15.672 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 22 0.786 -15.923 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.876 -18.147 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.612 -19.097 -2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.111 -17.150 -3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.069 -18.535 -4.073 1.00 0.00 H new ATOM 363 N LEU A 23 2.470 -12.312 1.310 1.00 0.00 N ATOM 364 CA LEU A 23 3.902 -12.324 1.584 1.00 0.00 C ATOM 365 C LEU A 23 4.164 -12.001 3.051 1.00 0.00 C ATOM 366 O LEU A 23 4.847 -12.747 3.751 1.00 0.00 O ATOM 367 CB LEU A 23 4.615 -11.311 0.677 1.00 0.00 C ATOM 368 CG LEU A 23 6.011 -10.872 1.133 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.812 -10.344 -0.046 1.00 0.00 C ATOM 370 CD2 LEU A 23 5.912 -9.812 2.223 1.00 0.00 C ATOM 0 H LEU A 23 2.189 -11.670 0.569 1.00 0.00 H new ATOM 0 HA LEU A 23 4.294 -13.320 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.698 -11.741 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.987 -10.425 0.590 1.00 0.00 H new ATOM 0 HG LEU A 23 6.526 -11.740 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.801 -10.036 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.914 -11.128 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.296 -9.489 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.914 -9.514 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.378 -8.943 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.374 -10.219 3.079 1.00 0.00 H new ATOM 382 N LEU A 24 3.606 -10.886 3.506 1.00 0.00 N ATOM 383 CA LEU A 24 3.770 -10.456 4.888 1.00 0.00 C ATOM 384 C LEU A 24 3.305 -11.545 5.847 1.00 0.00 C ATOM 385 O LEU A 24 3.996 -11.870 6.813 1.00 0.00 O ATOM 386 CB LEU A 24 2.990 -9.166 5.137 1.00 0.00 C ATOM 387 CG LEU A 24 3.626 -7.912 4.538 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.555 -6.926 4.101 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.569 -7.267 5.538 1.00 0.00 C ATOM 0 H LEU A 24 3.035 -10.262 2.936 1.00 0.00 H new ATOM 0 HA LEU A 24 4.829 -10.267 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.986 -9.279 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.882 -9.024 6.212 1.00 0.00 H new ATOM 0 HG LEU A 24 4.201 -8.203 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.027 -6.040 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.917 -7.391 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.952 -6.639 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.014 -6.375 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.014 -6.990 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.357 -7.972 5.802 1.00 0.00 H new ATOM 401 N THR A 25 2.137 -12.118 5.568 1.00 0.00 N ATOM 402 CA THR A 25 1.595 -13.184 6.402 1.00 0.00 C ATOM 403 C THR A 25 2.605 -14.321 6.509 1.00 0.00 C ATOM 404 O THR A 25 2.754 -14.941 7.562 1.00 0.00 O ATOM 405 CB THR A 25 0.280 -13.702 5.818 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.502 -12.632 5.315 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.565 -14.456 6.821 1.00 0.00 C ATOM 0 H THR A 25 1.550 -11.862 4.774 1.00 0.00 H new ATOM 0 HA THR A 25 1.399 -12.786 7.398 1.00 0.00 H new ATOM 0 HB THR A 25 0.569 -14.388 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.338 -12.984 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.483 -14.796 6.341 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.009 -15.317 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.813 -13.799 7.655 1.00 0.00 H new ATOM 415 N VAL A 26 3.309 -14.567 5.410 1.00 0.00 N ATOM 416 CA VAL A 26 4.326 -15.609 5.360 1.00 0.00 C ATOM 417 C VAL A 26 5.625 -15.118 5.991 1.00 0.00 C ATOM 418 O VAL A 26 6.393 -15.901 6.552 1.00 0.00 O ATOM 419 CB VAL A 26 4.601 -16.045 3.906 1.00 0.00 C ATOM 420 CG1 VAL A 26 5.587 -17.201 3.864 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.303 -16.417 3.206 1.00 0.00 C ATOM 0 H VAL A 26 3.192 -14.054 4.536 1.00 0.00 H new ATOM 0 HA VAL A 26 3.950 -16.465 5.921 1.00 0.00 H new ATOM 0 HB VAL A 26 5.047 -15.203 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.765 -17.490 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.528 -16.894 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.177 -18.049 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.517 -16.722 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.826 -17.240 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.635 -15.556 3.196 1.00 0.00 H new ATOM 431 N LYS A 27 5.859 -13.812 5.896 1.00 0.00 N ATOM 432 CA LYS A 27 7.056 -13.201 6.460 1.00 0.00 C ATOM 433 C LYS A 27 6.941 -13.068 7.980 1.00 0.00 C ATOM 434 O LYS A 27 7.931 -12.805 8.663 1.00 0.00 O ATOM 435 CB LYS A 27 7.294 -11.827 5.826 1.00 0.00 C ATOM 436 CG LYS A 27 8.620 -11.708 5.089 1.00 0.00 C ATOM 437 CD LYS A 27 8.446 -11.896 3.591 1.00 0.00 C ATOM 438 CE LYS A 27 9.468 -12.870 3.026 1.00 0.00 C ATOM 439 NZ LYS A 27 8.904 -13.688 1.918 1.00 0.00 N ATOM 0 H LYS A 27 5.232 -13.155 5.432 1.00 0.00 H new ATOM 0 HA LYS A 27 7.905 -13.848 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.483 -11.614 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.254 -11.066 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.059 -10.730 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.318 -12.453 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.440 -12.262 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.544 -10.933 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.335 -12.317 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.819 -13.528 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.633 -14.339 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.093 -14.236 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.592 -13.062 1.148 1.00 0.00 H new ATOM 453 N LYS A 28 5.726 -13.247 8.502 1.00 0.00 N ATOM 454 CA LYS A 28 5.479 -13.146 9.939 1.00 0.00 C ATOM 455 C LYS A 28 5.673 -11.714 10.430 1.00 0.00 C ATOM 456 O LYS A 28 6.508 -11.448 11.295 1.00 0.00 O ATOM 457 CB LYS A 28 6.395 -14.102 10.711 1.00 0.00 C ATOM 458 CG LYS A 28 5.730 -15.421 11.071 1.00 0.00 C ATOM 459 CD LYS A 28 5.253 -16.163 9.832 1.00 0.00 C ATOM 460 CE LYS A 28 3.905 -16.824 10.063 1.00 0.00 C ATOM 461 NZ LYS A 28 4.004 -17.976 11.000 1.00 0.00 N ATOM 0 H LYS A 28 4.897 -13.463 7.948 1.00 0.00 H new ATOM 0 HA LYS A 28 4.443 -13.431 10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.283 -14.304 10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.731 -13.612 11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.433 -16.046 11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.884 -15.234 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.180 -15.468 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.987 -16.919 9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.205 -16.090 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.500 -17.165 9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.063 -18.399 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.652 -18.688 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.366 -17.647 11.918 1.00 0.00 H new ATOM 475 N GLN A 29 4.890 -10.795 9.876 1.00 0.00 N ATOM 476 CA GLN A 29 4.972 -9.391 10.259 1.00 0.00 C ATOM 477 C GLN A 29 3.583 -8.761 10.333 1.00 0.00 C ATOM 478 O GLN A 29 2.728 -9.029 9.489 1.00 0.00 O ATOM 479 CB GLN A 29 5.838 -8.617 9.262 1.00 0.00 C ATOM 480 CG GLN A 29 7.300 -8.527 9.667 1.00 0.00 C ATOM 481 CD GLN A 29 8.139 -9.638 9.069 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.566 -10.576 9.906 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 8.400 -9.654 7.867 1.00 0.00 N flip ATOM 0 H GLN A 29 4.192 -10.997 9.161 1.00 0.00 H new ATOM 0 HA GLN A 29 5.429 -9.340 11.247 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.769 -9.096 8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.438 -7.609 9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.702 -7.564 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.375 -8.564 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.051 -8.913 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.965 -10.409 7.478 1.00 0.00 H new ATOM 492 N PRO A 30 3.343 -7.899 11.336 1.00 0.00 N ATOM 493 CA PRO A 30 2.055 -7.220 11.501 1.00 0.00 C ATOM 494 C PRO A 30 1.933 -6.028 10.565 1.00 0.00 C ATOM 495 O PRO A 30 2.886 -5.270 10.398 1.00 0.00 O ATOM 496 CB PRO A 30 2.112 -6.744 12.948 1.00 0.00 C ATOM 497 CG PRO A 30 3.553 -6.440 13.155 1.00 0.00 C ATOM 498 CD PRO A 30 4.305 -7.497 12.385 1.00 0.00 C ATOM 0 HA PRO A 30 1.205 -7.864 11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.489 -5.864 13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.760 -7.511 13.638 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.799 -5.442 12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.811 -6.468 14.214 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.227 -7.104 11.957 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.582 -8.338 13.021 1.00 0.00 H new ATOM 506 N PHE A 31 0.769 -5.854 9.955 1.00 0.00 N ATOM 507 CA PHE A 31 0.572 -4.739 9.042 1.00 0.00 C ATOM 508 C PHE A 31 -0.894 -4.339 8.925 1.00 0.00 C ATOM 509 O PHE A 31 -1.785 -5.044 9.402 1.00 0.00 O ATOM 510 CB PHE A 31 1.119 -5.079 7.674 1.00 0.00 C ATOM 511 CG PHE A 31 0.375 -6.192 7.022 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.508 -7.478 7.499 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.467 -5.954 5.956 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.187 -8.517 6.924 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.166 -6.987 5.369 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.028 -8.275 5.854 1.00 0.00 C ATOM 0 H PHE A 31 -0.042 -6.461 10.073 1.00 0.00 H new ATOM 0 HA PHE A 31 1.114 -3.888 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.074 -4.195 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.170 -5.353 7.765 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.165 -7.673 8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.580 -4.949 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.076 -9.520 7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.820 -6.791 4.532 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.575 -9.088 5.399 1.00 0.00 H new ATOM 526 N GLU A 32 -1.135 -3.206 8.270 1.00 0.00 N ATOM 527 CA GLU A 32 -2.493 -2.709 8.072 1.00 0.00 C ATOM 528 C GLU A 32 -2.671 -2.154 6.663 1.00 0.00 C ATOM 529 O GLU A 32 -1.869 -1.345 6.196 1.00 0.00 O ATOM 530 CB GLU A 32 -2.828 -1.630 9.104 1.00 0.00 C ATOM 531 CG GLU A 32 -3.645 -2.147 10.277 1.00 0.00 C ATOM 532 CD GLU A 32 -3.961 -1.064 11.291 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.811 0.129 10.953 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.358 -1.409 12.424 1.00 0.00 O ATOM 0 H GLU A 32 -0.407 -2.615 7.868 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.177 -3.547 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.901 -1.197 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.379 -0.827 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.576 -2.575 9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.099 -2.952 10.769 1.00 0.00 H new ATOM 541 N PHE A 33 -3.728 -2.598 5.991 1.00 0.00 N ATOM 542 CA PHE A 33 -4.018 -2.157 4.641 1.00 0.00 C ATOM 543 C PHE A 33 -4.961 -0.955 4.651 1.00 0.00 C ATOM 544 O PHE A 33 -6.067 -1.025 5.185 1.00 0.00 O ATOM 545 CB PHE A 33 -4.642 -3.311 3.852 1.00 0.00 C ATOM 546 CG PHE A 33 -4.692 -3.090 2.367 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.056 -2.009 1.787 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.383 -3.971 1.556 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.106 -1.809 0.420 1.00 0.00 C ATOM 550 CE2 PHE A 33 -5.438 -3.779 0.189 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.798 -2.694 -0.379 1.00 0.00 C ATOM 0 H PHE A 33 -4.399 -3.268 6.367 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.087 -1.851 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.076 -4.221 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.655 -3.479 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.514 -1.312 2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.886 -4.819 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.604 -0.961 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.980 -4.475 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.840 -2.540 -1.447 1.00 0.00 H new ATOM 561 N ILE A 34 -4.513 0.142 4.049 1.00 0.00 N ATOM 562 CA ILE A 34 -5.302 1.362 3.975 1.00 0.00 C ATOM 563 C ILE A 34 -5.877 1.538 2.583 1.00 0.00 C ATOM 564 O ILE A 34 -5.162 1.802 1.619 1.00 0.00 O ATOM 565 CB ILE A 34 -4.479 2.607 4.344 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.557 2.294 5.521 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.401 3.769 4.679 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.544 3.379 5.808 1.00 0.00 C ATOM 0 H ILE A 34 -3.599 0.209 3.602 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.110 1.261 4.700 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.866 2.892 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.163 2.131 6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.030 1.362 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.805 4.644 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.025 3.999 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.035 3.499 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.926 3.085 6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.912 3.527 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.063 4.308 6.042 1.00 0.00 H new ATOM 580 N ASN A 35 -7.176 1.373 2.499 1.00 0.00 N ATOM 581 CA ASN A 35 -7.894 1.497 1.238 1.00 0.00 C ATOM 582 C ASN A 35 -8.177 2.953 0.906 1.00 0.00 C ATOM 583 O ASN A 35 -8.872 3.650 1.646 1.00 0.00 O ATOM 584 CB ASN A 35 -9.204 0.709 1.288 1.00 0.00 C ATOM 585 CG ASN A 35 -10.119 1.177 2.403 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.681 1.833 3.348 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.400 0.840 2.299 1.00 0.00 N ATOM 0 H ASN A 35 -7.770 1.149 3.297 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.260 1.084 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.720 0.807 0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.983 -0.350 1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.063 1.126 3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.721 0.295 1.499 1.00 0.00 H new ATOM 594 N ILE A 36 -7.638 3.400 -0.219 1.00 0.00 N ATOM 595 CA ILE A 36 -7.830 4.768 -0.670 1.00 0.00 C ATOM 596 C ILE A 36 -8.906 4.825 -1.745 1.00 0.00 C ATOM 597 O ILE A 36 -8.745 5.474 -2.779 1.00 0.00 O ATOM 598 CB ILE A 36 -6.520 5.363 -1.211 1.00 0.00 C ATOM 599 CG1 ILE A 36 -5.965 4.496 -2.343 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.509 5.488 -0.084 1.00 0.00 C ATOM 601 CD1 ILE A 36 -4.972 5.217 -3.225 1.00 0.00 C ATOM 0 H ILE A 36 -7.061 2.830 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.148 5.361 0.188 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.720 6.356 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.486 3.616 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.793 4.141 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.582 5.910 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.908 6.141 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.310 4.503 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.621 4.542 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.453 6.082 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.125 5.549 -2.624 1.00 0.00 H new ATOM 613 N MET A 37 -10.003 4.133 -1.479 1.00 0.00 N ATOM 614 CA MET A 37 -11.127 4.076 -2.407 1.00 0.00 C ATOM 615 C MET A 37 -12.394 3.589 -1.706 1.00 0.00 C ATOM 616 O MET A 37 -12.571 2.388 -1.504 1.00 0.00 O ATOM 617 CB MET A 37 -10.798 3.151 -3.578 1.00 0.00 C ATOM 618 CG MET A 37 -11.828 3.196 -4.692 1.00 0.00 C ATOM 619 SD MET A 37 -11.517 1.971 -5.976 1.00 0.00 S ATOM 620 CE MET A 37 -11.496 3.014 -7.427 1.00 0.00 C ATOM 0 H MET A 37 -10.141 3.598 -0.621 1.00 0.00 H new ATOM 0 HA MET A 37 -11.305 5.084 -2.781 1.00 0.00 H new ATOM 0 HB2 MET A 37 -9.824 3.423 -3.983 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.716 2.128 -3.211 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.820 3.031 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.832 4.191 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 37 -12.323 2.742 -8.083 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.599 4.057 -7.127 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.553 2.880 -7.958 1.00 0.00 H new ATOM 630 N PRO A 38 -13.297 4.509 -1.322 1.00 0.00 N ATOM 631 CA PRO A 38 -14.547 4.145 -0.648 1.00 0.00 C ATOM 632 C PRO A 38 -15.520 3.462 -1.597 1.00 0.00 C ATOM 633 O PRO A 38 -16.285 2.583 -1.200 1.00 0.00 O ATOM 634 CB PRO A 38 -15.109 5.490 -0.184 1.00 0.00 C ATOM 635 CG PRO A 38 -14.537 6.486 -1.131 1.00 0.00 C ATOM 636 CD PRO A 38 -13.178 5.966 -1.517 1.00 0.00 C ATOM 0 HA PRO A 38 -14.386 3.438 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.199 5.495 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.817 5.708 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.174 6.600 -2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.460 7.468 -0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.932 6.214 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.393 6.392 -0.892 1.00 0.00 H new ATOM 644 N GLU A 39 -15.477 3.875 -2.858 1.00 0.00 N ATOM 645 CA GLU A 39 -16.344 3.311 -3.880 1.00 0.00 C ATOM 646 C GLU A 39 -15.578 3.131 -5.184 1.00 0.00 C ATOM 647 O GLU A 39 -14.567 3.793 -5.417 1.00 0.00 O ATOM 648 CB GLU A 39 -17.556 4.216 -4.111 1.00 0.00 C ATOM 649 CG GLU A 39 -18.576 4.165 -2.986 1.00 0.00 C ATOM 650 CD GLU A 39 -19.842 4.934 -3.313 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.494 4.602 -4.325 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.182 5.867 -2.556 1.00 0.00 O ATOM 0 H GLU A 39 -14.847 4.602 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.691 2.337 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.214 5.244 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.041 3.928 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.830 3.126 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.131 4.573 -2.078 1.00 0.00 H new ATOM 659 N LYS A 40 -16.071 2.240 -6.036 1.00 0.00 N ATOM 660 CA LYS A 40 -15.431 1.982 -7.324 1.00 0.00 C ATOM 661 C LYS A 40 -15.485 3.205 -8.227 1.00 0.00 C ATOM 662 O LYS A 40 -14.878 3.237 -9.297 1.00 0.00 O ATOM 663 CB LYS A 40 -16.078 0.787 -8.030 1.00 0.00 C ATOM 664 CG LYS A 40 -16.421 -0.370 -7.107 1.00 0.00 C ATOM 665 CD LYS A 40 -17.333 -1.377 -7.792 1.00 0.00 C ATOM 666 CE LYS A 40 -16.783 -2.790 -7.692 1.00 0.00 C ATOM 667 NZ LYS A 40 -17.152 -3.615 -8.875 1.00 0.00 N ATOM 0 H LYS A 40 -16.909 1.685 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.386 1.748 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.988 1.122 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -15.403 0.429 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.505 -0.866 -6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.907 0.011 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.323 -1.339 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.452 -1.106 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.698 -2.751 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.162 -3.264 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.758 -4.571 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.188 -3.674 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.769 -3.177 -9.737 1.00 0.00 H new ATOM 681 N GLY A 41 -16.227 4.194 -7.785 1.00 0.00 N ATOM 682 CA GLY A 41 -16.389 5.419 -8.545 1.00 0.00 C ATOM 683 C GLY A 41 -15.316 6.455 -8.262 1.00 0.00 C ATOM 684 O GLY A 41 -14.639 6.916 -9.181 1.00 0.00 O ATOM 0 H GLY A 41 -16.732 4.177 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.381 5.181 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.365 5.849 -8.322 1.00 0.00 H new ATOM 688 N VAL A 42 -15.166 6.840 -6.996 1.00 0.00 N ATOM 689 CA VAL A 42 -14.178 7.851 -6.632 1.00 0.00 C ATOM 690 C VAL A 42 -13.431 7.499 -5.348 1.00 0.00 C ATOM 691 O VAL A 42 -14.001 6.926 -4.420 1.00 0.00 O ATOM 692 CB VAL A 42 -14.841 9.233 -6.462 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.789 10.317 -6.283 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.738 9.543 -7.651 1.00 0.00 C ATOM 0 H VAL A 42 -15.709 6.472 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.458 7.883 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.458 9.209 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.279 11.284 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.192 10.102 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.141 10.343 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.198 10.522 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.143 9.546 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.517 8.784 -7.727 1.00 0.00 H new ATOM 704 N PHE A 43 -12.148 7.859 -5.305 1.00 0.00 N ATOM 705 CA PHE A 43 -11.310 7.599 -4.136 1.00 0.00 C ATOM 706 C PHE A 43 -11.705 8.496 -2.964 1.00 0.00 C ATOM 707 O PHE A 43 -12.487 9.434 -3.123 1.00 0.00 O ATOM 708 CB PHE A 43 -9.833 7.836 -4.463 1.00 0.00 C ATOM 709 CG PHE A 43 -9.372 7.211 -5.747 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.584 5.865 -5.998 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.717 7.972 -6.700 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.152 5.291 -7.178 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.281 7.405 -7.882 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.499 6.062 -8.122 1.00 0.00 C ATOM 0 H PHE A 43 -11.666 8.333 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.460 6.556 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.652 8.910 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.226 7.447 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.092 5.258 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.545 9.022 -6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.324 4.241 -7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.771 8.010 -8.617 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.160 5.615 -9.045 1.00 0.00 H new ATOM 724 N ASP A 44 -11.139 8.212 -1.792 1.00 0.00 N ATOM 725 CA ASP A 44 -11.413 9.000 -0.592 1.00 0.00 C ATOM 726 C ASP A 44 -10.348 10.077 -0.397 1.00 0.00 C ATOM 727 O ASP A 44 -9.178 9.770 -0.178 1.00 0.00 O ATOM 728 CB ASP A 44 -11.460 8.094 0.643 1.00 0.00 C ATOM 729 CG ASP A 44 -12.850 7.997 1.239 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.572 9.015 1.229 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.215 6.904 1.719 1.00 0.00 O ATOM 0 H ASP A 44 -10.487 7.441 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.382 9.482 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.114 7.097 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.771 8.476 1.396 1.00 0.00 H new ATOM 736 N ASP A 45 -10.760 11.339 -0.473 1.00 0.00 N ATOM 737 CA ASP A 45 -9.835 12.455 -0.301 1.00 0.00 C ATOM 738 C ASP A 45 -9.116 12.371 1.044 1.00 0.00 C ATOM 739 O ASP A 45 -7.993 12.853 1.190 1.00 0.00 O ATOM 740 CB ASP A 45 -10.582 13.787 -0.407 1.00 0.00 C ATOM 741 CG ASP A 45 -9.656 14.945 -0.723 1.00 0.00 C ATOM 742 OD1 ASP A 45 -8.932 14.866 -1.737 1.00 0.00 O ATOM 743 OD2 ASP A 45 -9.654 15.930 0.045 1.00 0.00 O ATOM 0 H ASP A 45 -11.726 11.614 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.090 12.397 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.344 13.712 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.101 13.985 0.531 1.00 0.00 H new ATOM 748 N GLU A 46 -9.773 11.759 2.025 1.00 0.00 N ATOM 749 CA GLU A 46 -9.195 11.611 3.357 1.00 0.00 C ATOM 750 C GLU A 46 -7.908 10.794 3.305 1.00 0.00 C ATOM 751 O GLU A 46 -6.866 11.225 3.800 1.00 0.00 O ATOM 752 CB GLU A 46 -10.200 10.949 4.300 1.00 0.00 C ATOM 753 CG GLU A 46 -9.668 10.740 5.709 1.00 0.00 C ATOM 754 CD GLU A 46 -10.697 11.062 6.775 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.898 12.261 7.063 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.301 10.116 7.324 1.00 0.00 O ATOM 0 H GLU A 46 -10.705 11.358 1.923 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.955 12.605 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.099 11.563 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.494 9.985 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.345 9.705 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.788 11.366 5.858 1.00 0.00 H new ATOM 763 N LYS A 47 -7.986 9.612 2.701 1.00 0.00 N ATOM 764 CA LYS A 47 -6.824 8.738 2.584 1.00 0.00 C ATOM 765 C LYS A 47 -5.814 9.309 1.594 1.00 0.00 C ATOM 766 O LYS A 47 -4.621 9.390 1.885 1.00 0.00 O ATOM 767 CB LYS A 47 -7.252 7.336 2.146 1.00 0.00 C ATOM 768 CG LYS A 47 -8.449 6.796 2.913 1.00 0.00 C ATOM 769 CD LYS A 47 -8.153 6.677 4.399 1.00 0.00 C ATOM 770 CE LYS A 47 -9.422 6.451 5.204 1.00 0.00 C ATOM 771 NZ LYS A 47 -10.179 5.260 4.729 1.00 0.00 N ATOM 0 H LYS A 47 -8.840 9.238 2.286 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.350 8.673 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.491 7.354 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.412 6.653 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.305 7.454 2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.725 5.819 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.462 5.851 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.658 7.584 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.166 6.322 6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.057 7.335 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.930 5.031 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.605 5.466 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.532 4.450 4.641 1.00 0.00 H new ATOM 785 N ILE A 48 -6.303 9.717 0.425 1.00 0.00 N ATOM 786 CA ILE A 48 -5.445 10.290 -0.607 1.00 0.00 C ATOM 787 C ILE A 48 -4.671 11.484 -0.051 1.00 0.00 C ATOM 788 O ILE A 48 -3.456 11.580 -0.214 1.00 0.00 O ATOM 789 CB ILE A 48 -6.271 10.731 -1.843 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.573 9.533 -2.746 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.546 11.814 -2.634 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.575 8.563 -2.161 1.00 0.00 C ATOM 0 H ILE A 48 -7.289 9.661 0.170 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.742 9.519 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.212 11.145 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.949 9.897 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.644 9.001 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.150 12.102 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.384 12.683 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.585 11.432 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.737 7.742 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.193 8.169 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.519 9.078 -1.982 1.00 0.00 H new ATOM 804 N ALA A 49 -5.386 12.387 0.613 1.00 0.00 N ATOM 805 CA ALA A 49 -4.767 13.568 1.199 1.00 0.00 C ATOM 806 C ALA A 49 -3.726 13.166 2.238 1.00 0.00 C ATOM 807 O ALA A 49 -2.642 13.744 2.303 1.00 0.00 O ATOM 808 CB ALA A 49 -5.823 14.465 1.825 1.00 0.00 C ATOM 0 H ALA A 49 -6.394 12.322 0.758 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.266 14.124 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.344 15.343 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.533 14.779 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.350 13.917 2.606 1.00 0.00 H new ATOM 814 N GLU A 50 -4.066 12.164 3.041 1.00 0.00 N ATOM 815 CA GLU A 50 -3.165 11.672 4.074 1.00 0.00 C ATOM 816 C GLU A 50 -1.939 11.016 3.449 1.00 0.00 C ATOM 817 O GLU A 50 -0.832 11.110 3.981 1.00 0.00 O ATOM 818 CB GLU A 50 -3.893 10.672 4.979 1.00 0.00 C ATOM 819 CG GLU A 50 -2.968 9.889 5.901 1.00 0.00 C ATOM 820 CD GLU A 50 -3.410 9.937 7.351 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.403 9.260 7.691 1.00 0.00 O ATOM 822 OE2 GLU A 50 -2.763 10.649 8.146 1.00 0.00 O ATOM 0 H GLU A 50 -4.961 11.676 2.995 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.836 12.519 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.624 11.209 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.448 9.971 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.927 8.851 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.957 10.289 5.820 1.00 0.00 H new ATOM 829 N LEU A 51 -2.141 10.351 2.316 1.00 0.00 N ATOM 830 CA LEU A 51 -1.052 9.680 1.623 1.00 0.00 C ATOM 831 C LEU A 51 0.042 10.675 1.257 1.00 0.00 C ATOM 832 O LEU A 51 1.206 10.490 1.610 1.00 0.00 O ATOM 833 CB LEU A 51 -1.573 8.984 0.365 1.00 0.00 C ATOM 834 CG LEU A 51 -0.502 8.320 -0.501 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.475 7.542 0.364 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.144 7.405 -1.530 1.00 0.00 C ATOM 0 H LEU A 51 -3.049 10.264 1.860 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.629 8.929 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.299 8.227 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.106 9.716 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 51 0.048 9.100 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.230 7.076 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.959 8.220 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.062 6.771 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.368 6.940 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.718 6.631 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.807 7.986 -2.170 1.00 0.00 H new ATOM 848 N LEU A 52 -0.341 11.738 0.554 1.00 0.00 N ATOM 849 CA LEU A 52 0.598 12.768 0.150 1.00 0.00 C ATOM 850 C LEU A 52 1.374 13.305 1.346 1.00 0.00 C ATOM 851 O LEU A 52 2.596 13.438 1.300 1.00 0.00 O ATOM 852 CB LEU A 52 -0.171 13.874 -0.526 1.00 0.00 C ATOM 853 CG LEU A 52 -1.141 13.376 -1.588 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.494 14.506 -2.495 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.542 12.226 -2.387 1.00 0.00 C ATOM 0 H LEU A 52 -1.301 11.904 0.254 1.00 0.00 H new ATOM 0 HA LEU A 52 1.327 12.345 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.725 14.434 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.533 14.568 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.039 13.003 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.189 14.156 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.961 15.304 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.591 14.885 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.259 11.892 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.370 12.562 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.308 11.400 -1.716 1.00 0.00 H new ATOM 867 N THR A 53 0.651 13.595 2.423 1.00 0.00 N ATOM 868 CA THR A 53 1.266 14.102 3.641 1.00 0.00 C ATOM 869 C THR A 53 2.232 13.073 4.216 1.00 0.00 C ATOM 870 O THR A 53 3.245 13.425 4.820 1.00 0.00 O ATOM 871 CB THR A 53 0.193 14.448 4.676 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.740 15.371 4.143 1.00 0.00 O ATOM 873 CG2 THR A 53 0.758 15.047 5.946 1.00 0.00 C ATOM 0 H THR A 53 -0.362 13.487 2.475 1.00 0.00 H new ATOM 0 HA THR A 53 1.822 15.007 3.395 1.00 0.00 H new ATOM 0 HB THR A 53 -0.287 13.501 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.373 14.898 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.055 15.269 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.444 14.338 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.293 15.966 5.708 1.00 0.00 H new ATOM 881 N LYS A 54 1.910 11.798 4.016 1.00 0.00 N ATOM 882 CA LYS A 54 2.750 10.712 4.507 1.00 0.00 C ATOM 883 C LYS A 54 4.058 10.654 3.725 1.00 0.00 C ATOM 884 O LYS A 54 5.117 10.369 4.286 1.00 0.00 O ATOM 885 CB LYS A 54 2.007 9.376 4.402 1.00 0.00 C ATOM 886 CG LYS A 54 1.444 8.890 5.727 1.00 0.00 C ATOM 887 CD LYS A 54 2.543 8.388 6.650 1.00 0.00 C ATOM 888 CE LYS A 54 2.675 6.875 6.587 1.00 0.00 C ATOM 889 NZ LYS A 54 3.900 6.395 7.284 1.00 0.00 N ATOM 0 H LYS A 54 1.074 11.493 3.518 1.00 0.00 H new ATOM 0 HA LYS A 54 2.982 10.901 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.192 9.478 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.687 8.621 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.902 9.702 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.726 8.090 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.491 8.849 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.327 8.693 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.796 6.415 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.702 6.556 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.910 5.355 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.743 6.745 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.904 6.749 8.262 1.00 0.00 H new ATOM 903 N LEU A 55 3.980 10.940 2.428 1.00 0.00 N ATOM 904 CA LEU A 55 5.158 10.933 1.569 1.00 0.00 C ATOM 905 C LEU A 55 6.190 11.937 2.068 1.00 0.00 C ATOM 906 O LEU A 55 7.311 11.571 2.424 1.00 0.00 O ATOM 907 CB LEU A 55 4.767 11.271 0.128 1.00 0.00 C ATOM 908 CG LEU A 55 3.890 10.236 -0.589 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.329 10.087 -2.034 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.939 8.886 0.115 1.00 0.00 C ATOM 0 H LEU A 55 3.112 11.180 1.949 1.00 0.00 H new ATOM 0 HA LEU A 55 5.594 9.934 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.241 12.226 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.679 11.410 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 55 2.861 10.593 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.699 9.350 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.236 11.046 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.368 9.758 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.307 8.175 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.966 8.520 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.579 8.996 1.138 1.00 0.00 H new ATOM 922 N GLY A 56 5.798 13.205 2.092 1.00 0.00 N ATOM 923 CA GLY A 56 6.689 14.258 2.545 1.00 0.00 C ATOM 924 C GLY A 56 6.133 15.638 2.251 1.00 0.00 C ATOM 925 O GLY A 56 5.199 16.091 2.911 1.00 0.00 O ATOM 0 H GLY A 56 4.873 13.525 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.856 14.155 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.658 14.147 2.059 1.00 0.00 H new ATOM 929 N ARG A 57 6.705 16.302 1.253 1.00 0.00 N ATOM 930 CA ARG A 57 6.258 17.636 0.862 1.00 0.00 C ATOM 931 C ARG A 57 6.401 17.828 -0.640 1.00 0.00 C ATOM 932 O ARG A 57 6.624 18.939 -1.120 1.00 0.00 O ATOM 933 CB ARG A 57 7.051 18.714 1.604 1.00 0.00 C ATOM 934 CG ARG A 57 7.185 18.461 3.096 1.00 0.00 C ATOM 935 CD ARG A 57 5.894 18.782 3.833 1.00 0.00 C ATOM 936 NE ARG A 57 5.942 18.354 5.230 1.00 0.00 N ATOM 937 CZ ARG A 57 4.894 18.386 6.051 1.00 0.00 C ATOM 938 NH1 ARG A 57 3.718 18.822 5.621 1.00 0.00 N ATOM 939 NH2 ARG A 57 5.025 17.979 7.306 1.00 0.00 N ATOM 0 H ARG A 57 7.480 15.939 0.699 1.00 0.00 H new ATOM 0 HA ARG A 57 5.206 17.731 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.047 18.785 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.566 19.678 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.453 17.418 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.996 19.069 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.708 19.855 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.059 18.293 3.332 1.00 0.00 H new ATOM 0 HE ARG A 57 6.830 18.011 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.612 19.135 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.919 18.844 6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.927 17.642 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.223 18.003 7.936 1.00 0.00 H new ATOM 953 N ASP A 58 6.273 16.732 -1.375 1.00 0.00 N ATOM 954 CA ASP A 58 6.383 16.757 -2.822 1.00 0.00 C ATOM 955 C ASP A 58 5.098 16.242 -3.466 1.00 0.00 C ATOM 956 O ASP A 58 4.020 16.323 -2.877 1.00 0.00 O ATOM 957 CB ASP A 58 7.584 15.913 -3.264 1.00 0.00 C ATOM 958 CG ASP A 58 8.344 16.547 -4.412 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.693 17.088 -5.330 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.593 16.501 -4.395 1.00 0.00 O ATOM 0 H ASP A 58 6.091 15.807 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 58 6.535 17.786 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.258 15.774 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.239 14.923 -3.563 1.00 0.00 H new ATOM 965 N THR A 59 5.223 15.708 -4.673 1.00 0.00 N ATOM 966 CA THR A 59 4.081 15.171 -5.403 1.00 0.00 C ATOM 967 C THR A 59 4.288 13.695 -5.725 1.00 0.00 C ATOM 968 O THR A 59 5.381 13.158 -5.540 1.00 0.00 O ATOM 969 CB THR A 59 3.854 15.960 -6.694 1.00 0.00 C ATOM 970 OG1 THR A 59 2.913 15.303 -7.524 1.00 0.00 O ATOM 971 CG2 THR A 59 5.119 16.160 -7.501 1.00 0.00 C ATOM 0 H THR A 59 6.110 15.635 -5.171 1.00 0.00 H new ATOM 0 HA THR A 59 3.200 15.267 -4.769 1.00 0.00 H new ATOM 0 HB THR A 59 3.486 16.936 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.381 14.685 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.889 16.726 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.848 16.708 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.532 15.190 -7.777 1.00 0.00 H new ATOM 979 N GLN A 60 3.239 13.046 -6.216 1.00 0.00 N ATOM 980 CA GLN A 60 3.312 11.638 -6.570 1.00 0.00 C ATOM 981 C GLN A 60 3.941 11.472 -7.944 1.00 0.00 C ATOM 982 O GLN A 60 3.278 11.616 -8.972 1.00 0.00 O ATOM 983 CB GLN A 60 1.922 11.005 -6.554 1.00 0.00 C ATOM 984 CG GLN A 60 0.872 11.819 -7.291 1.00 0.00 C ATOM 985 CD GLN A 60 -0.239 10.959 -7.862 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.118 10.418 -8.962 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.329 10.829 -7.116 1.00 0.00 N ATOM 0 H GLN A 60 2.328 13.475 -6.377 1.00 0.00 H new ATOM 0 HA GLN A 60 3.933 11.132 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.979 10.012 -7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.605 10.871 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.444 12.554 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.349 12.373 -8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.386 11.295 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.110 10.263 -7.448 1.00 0.00 H new ATOM 996 N ILE A 61 5.226 11.168 -7.945 1.00 0.00 N ATOM 997 CA ILE A 61 5.977 10.979 -9.182 1.00 0.00 C ATOM 998 C ILE A 61 5.729 9.596 -9.771 1.00 0.00 C ATOM 999 O ILE A 61 6.505 8.667 -9.548 1.00 0.00 O ATOM 1000 CB ILE A 61 7.490 11.162 -8.955 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.759 12.452 -8.179 1.00 0.00 C ATOM 1002 CG2 ILE A 61 8.227 11.176 -10.286 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.217 13.691 -8.857 1.00 0.00 C ATOM 0 H ILE A 61 5.779 11.045 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 61 5.627 11.738 -9.882 1.00 0.00 H new ATOM 0 HB ILE A 61 7.858 10.322 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.316 12.368 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.834 12.565 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.295 11.306 -10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.057 10.233 -10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.858 11.999 -10.898 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.445 14.567 -8.250 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.678 13.800 -9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.137 13.600 -8.972 1.00 0.00 H new ATOM 1015 N GLY A 62 4.644 9.468 -10.527 1.00 0.00 N ATOM 1016 CA GLY A 62 4.314 8.195 -11.139 1.00 0.00 C ATOM 1017 C GLY A 62 4.139 7.089 -10.117 1.00 0.00 C ATOM 1018 O GLY A 62 4.318 5.912 -10.430 1.00 0.00 O ATOM 0 H GLY A 62 3.988 10.223 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.396 8.300 -11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.101 7.917 -11.840 1.00 0.00 H new ATOM 1022 N LEU A 63 3.793 7.468 -8.891 1.00 0.00 N ATOM 1023 CA LEU A 63 3.592 6.497 -7.822 1.00 0.00 C ATOM 1024 C LEU A 63 2.465 5.533 -8.172 1.00 0.00 C ATOM 1025 O LEU A 63 1.469 5.921 -8.784 1.00 0.00 O ATOM 1026 CB LEU A 63 3.287 7.213 -6.503 1.00 0.00 C ATOM 1027 CG LEU A 63 4.210 6.849 -5.339 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.240 5.342 -5.135 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.613 7.382 -5.586 1.00 0.00 C ATOM 0 H LEU A 63 3.646 8.439 -8.614 1.00 0.00 H new ATOM 0 HA LEU A 63 4.511 5.922 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.345 8.289 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.260 6.990 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 63 3.821 7.311 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.901 5.101 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.234 4.985 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.606 4.859 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.257 7.114 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.011 6.947 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.578 8.467 -5.684 1.00 0.00 H new ATOM 1041 N THR A 64 2.628 4.273 -7.784 1.00 0.00 N ATOM 1042 CA THR A 64 1.625 3.254 -8.064 1.00 0.00 C ATOM 1043 C THR A 64 1.118 2.608 -6.778 1.00 0.00 C ATOM 1044 O THR A 64 1.825 2.560 -5.772 1.00 0.00 O ATOM 1045 CB THR A 64 2.200 2.185 -8.993 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.267 1.496 -8.365 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.721 2.745 -10.299 1.00 0.00 C ATOM 0 H THR A 64 3.444 3.934 -7.275 1.00 0.00 H new ATOM 0 HA THR A 64 0.783 3.741 -8.555 1.00 0.00 H new ATOM 0 HB THR A 64 1.369 1.513 -9.210 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.620 0.815 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.115 1.934 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.910 3.241 -10.832 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.514 3.464 -10.096 1.00 0.00 H new ATOM 1055 N MET A 65 -0.112 2.110 -6.825 1.00 0.00 N ATOM 1056 CA MET A 65 -0.721 1.458 -5.675 1.00 0.00 C ATOM 1057 C MET A 65 -0.692 -0.057 -5.843 1.00 0.00 C ATOM 1058 O MET A 65 -0.651 -0.560 -6.967 1.00 0.00 O ATOM 1059 CB MET A 65 -2.162 1.939 -5.494 1.00 0.00 C ATOM 1060 CG MET A 65 -2.307 3.453 -5.537 1.00 0.00 C ATOM 1061 SD MET A 65 -1.606 4.260 -4.085 1.00 0.00 S ATOM 1062 CE MET A 65 -2.023 5.971 -4.416 1.00 0.00 C ATOM 0 H MET A 65 -0.708 2.146 -7.652 1.00 0.00 H new ATOM 0 HA MET A 65 -0.148 1.721 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.784 1.500 -6.274 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.542 1.573 -4.540 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.817 3.836 -6.432 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.363 3.711 -5.617 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.351 6.451 -3.494 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.147 6.491 -4.804 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.826 6.014 -5.152 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.700 -0.814 -4.732 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.746 -0.275 -3.369 1.00 0.00 C ATOM 1074 C PRO A 66 0.604 0.257 -2.891 1.00 0.00 C ATOM 1075 O PRO A 66 1.648 -0.338 -3.160 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.168 -1.485 -2.516 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.485 -2.574 -3.487 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.681 -2.276 -4.714 1.00 0.00 C ATOM 0 HA PRO A 66 -1.423 0.576 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.368 -1.785 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.034 -1.246 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.226 -3.550 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.551 -2.597 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.332 -2.672 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.130 -2.702 -5.611 1.00 0.00 H new ATOM 1086 N GLN A 67 0.567 1.370 -2.162 1.00 0.00 N ATOM 1087 CA GLN A 67 1.781 1.979 -1.626 1.00 0.00 C ATOM 1088 C GLN A 67 1.968 1.597 -0.161 1.00 0.00 C ATOM 1089 O GLN A 67 1.096 1.844 0.669 1.00 0.00 O ATOM 1090 CB GLN A 67 1.717 3.502 -1.761 1.00 0.00 C ATOM 1091 CG GLN A 67 2.020 4.002 -3.162 1.00 0.00 C ATOM 1092 CD GLN A 67 1.838 5.501 -3.299 1.00 0.00 C ATOM 1093 OE1 GLN A 67 0.985 5.967 -4.054 1.00 0.00 O ATOM 1094 NE2 GLN A 67 2.640 6.265 -2.567 1.00 0.00 N ATOM 0 H GLN A 67 -0.292 1.869 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 67 2.631 1.608 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.723 3.843 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.425 3.950 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.045 3.739 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.369 3.494 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.333 5.836 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.563 7.281 -2.617 1.00 0.00 H new ATOM 1103 N VAL A 68 3.102 0.985 0.155 1.00 0.00 N ATOM 1104 CA VAL A 68 3.377 0.567 1.523 1.00 0.00 C ATOM 1105 C VAL A 68 4.226 1.594 2.266 1.00 0.00 C ATOM 1106 O VAL A 68 4.810 2.489 1.658 1.00 0.00 O ATOM 1107 CB VAL A 68 4.085 -0.804 1.568 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.924 -1.446 2.938 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.551 -1.724 0.480 1.00 0.00 C ATOM 0 H VAL A 68 3.842 0.768 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 68 2.410 0.483 2.018 1.00 0.00 H new ATOM 0 HB VAL A 68 5.148 -0.643 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.430 -2.411 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.362 -0.798 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.865 -1.589 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.064 -2.684 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.481 -1.876 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.724 -1.271 -0.496 1.00 0.00 H new ATOM 1119 N PHE A 69 4.288 1.458 3.590 1.00 0.00 N ATOM 1120 CA PHE A 69 5.063 2.377 4.419 1.00 0.00 C ATOM 1121 C PHE A 69 5.733 1.632 5.571 1.00 0.00 C ATOM 1122 O PHE A 69 5.166 0.700 6.139 1.00 0.00 O ATOM 1123 CB PHE A 69 4.158 3.476 4.967 1.00 0.00 C ATOM 1124 CG PHE A 69 3.770 4.484 3.931 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.572 5.584 3.689 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.610 4.326 3.192 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.223 6.513 2.729 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.254 5.251 2.231 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.061 6.347 1.999 1.00 0.00 C ATOM 0 H PHE A 69 3.811 0.721 4.110 1.00 0.00 H new ATOM 0 HA PHE A 69 5.839 2.827 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.257 3.024 5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.667 3.983 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.481 5.718 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.976 3.469 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.857 7.368 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.346 5.118 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.785 7.073 1.249 1.00 0.00 H new ATOM 1139 N ALA A 70 6.955 2.043 5.893 1.00 0.00 N ATOM 1140 CA ALA A 70 7.731 1.412 6.960 1.00 0.00 C ATOM 1141 C ALA A 70 6.965 1.369 8.282 1.00 0.00 C ATOM 1142 O ALA A 70 6.375 2.365 8.701 1.00 0.00 O ATOM 1143 CB ALA A 70 9.052 2.143 7.145 1.00 0.00 C ATOM 0 H ALA A 70 7.434 2.815 5.428 1.00 0.00 H new ATOM 0 HA ALA A 70 7.921 0.381 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.623 1.666 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.622 2.105 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.859 3.183 7.409 1.00 0.00 H new ATOM 1149 N PRO A 71 6.982 0.205 8.970 1.00 0.00 N ATOM 1150 CA PRO A 71 6.309 0.033 10.265 1.00 0.00 C ATOM 1151 C PRO A 71 6.560 1.207 11.202 1.00 0.00 C ATOM 1152 O PRO A 71 5.729 1.534 12.048 1.00 0.00 O ATOM 1153 CB PRO A 71 6.954 -1.240 10.812 1.00 0.00 C ATOM 1154 CG PRO A 71 7.293 -2.030 9.601 1.00 0.00 C ATOM 1155 CD PRO A 71 7.681 -1.027 8.548 1.00 0.00 C ATOM 0 HA PRO A 71 5.225 -0.024 10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.843 -1.014 11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.270 -1.784 11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.111 -2.721 9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.443 -2.629 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.761 -0.883 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.367 -1.346 7.554 1.00 0.00 H new ATOM 1163 N ASP A 72 7.716 1.839 11.038 1.00 0.00 N ATOM 1164 CA ASP A 72 8.092 2.982 11.857 1.00 0.00 C ATOM 1165 C ASP A 72 9.243 3.740 11.208 1.00 0.00 C ATOM 1166 O ASP A 72 10.188 4.151 11.882 1.00 0.00 O ATOM 1167 CB ASP A 72 8.488 2.521 13.261 1.00 0.00 C ATOM 1168 CG ASP A 72 9.650 1.549 13.244 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.414 0.345 13.003 1.00 0.00 O ATOM 1170 OD2 ASP A 72 10.797 1.989 13.469 1.00 0.00 O ATOM 0 H ASP A 72 8.412 1.576 10.340 1.00 0.00 H new ATOM 0 HA ASP A 72 7.234 3.650 11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.753 3.389 13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.630 2.049 13.741 1.00 0.00 H new ATOM 1175 N GLY A 73 9.160 3.913 9.891 1.00 0.00 N ATOM 1176 CA GLY A 73 10.205 4.618 9.167 1.00 0.00 C ATOM 1177 C GLY A 73 9.658 5.512 8.071 1.00 0.00 C ATOM 1178 O GLY A 73 9.074 6.559 8.347 1.00 0.00 O ATOM 0 H GLY A 73 8.389 3.578 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.783 5.221 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.891 3.893 8.730 1.00 0.00 H new ATOM 1182 N SER A 74 9.858 5.100 6.821 1.00 0.00 N ATOM 1183 CA SER A 74 9.388 5.873 5.675 1.00 0.00 C ATOM 1184 C SER A 74 8.770 4.969 4.614 1.00 0.00 C ATOM 1185 O SER A 74 8.768 3.745 4.743 1.00 0.00 O ATOM 1186 CB SER A 74 10.543 6.671 5.068 1.00 0.00 C ATOM 1187 OG SER A 74 11.574 6.879 6.018 1.00 0.00 O ATOM 0 H SER A 74 10.342 4.236 6.577 1.00 0.00 H new ATOM 0 HA SER A 74 8.619 6.560 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.942 6.139 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.176 7.632 4.709 1.00 0.00 H new ATOM 0 HG SER A 74 12.301 7.390 5.605 1.00 0.00 H new ATOM 1193 N HIS A 75 8.241 5.593 3.567 1.00 0.00 N ATOM 1194 CA HIS A 75 7.607 4.872 2.468 1.00 0.00 C ATOM 1195 C HIS A 75 8.531 3.790 1.912 1.00 0.00 C ATOM 1196 O HIS A 75 9.653 4.074 1.494 1.00 0.00 O ATOM 1197 CB HIS A 75 7.229 5.861 1.365 1.00 0.00 C ATOM 1198 CG HIS A 75 6.510 5.241 0.208 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.029 5.160 -1.065 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.277 4.679 0.146 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.114 4.567 -1.844 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.033 4.254 -1.157 1.00 0.00 N ATOM 0 H HIS A 75 8.239 6.607 3.456 1.00 0.00 H new ATOM 0 HA HIS A 75 6.709 4.382 2.845 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.601 6.643 1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.135 6.344 0.999 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.946 5.492 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.593 4.577 0.976 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.245 4.371 -2.898 1.00 0.00 H new ATOM 1210 N ILE A 76 8.050 2.549 1.912 1.00 0.00 N ATOM 1211 CA ILE A 76 8.834 1.426 1.407 1.00 0.00 C ATOM 1212 C ILE A 76 8.671 1.276 -0.100 1.00 0.00 C ATOM 1213 O ILE A 76 9.644 1.064 -0.823 1.00 0.00 O ATOM 1214 CB ILE A 76 8.426 0.096 2.074 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.414 0.232 3.596 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.359 -1.025 1.641 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.470 -0.740 4.271 1.00 0.00 C ATOM 0 H ILE A 76 7.123 2.297 2.255 1.00 0.00 H new ATOM 0 HA ILE A 76 9.874 1.645 1.649 1.00 0.00 H new ATOM 0 HB ILE A 76 7.416 -0.153 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.423 0.074 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.129 1.250 3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.057 -1.956 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.309 -1.142 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.381 -0.781 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.507 -0.593 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.454 -0.567 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.768 -1.761 4.033 1.00 0.00 H new ATOM 1229 N GLY A 77 7.430 1.369 -0.565 1.00 0.00 N ATOM 1230 CA GLY A 77 7.160 1.229 -1.983 1.00 0.00 C ATOM 1231 C GLY A 77 5.984 0.318 -2.262 1.00 0.00 C ATOM 1232 O GLY A 77 5.063 0.211 -1.452 1.00 0.00 O ATOM 0 H GLY A 77 6.608 1.539 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.963 2.212 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.046 0.836 -2.481 1.00 0.00 H new ATOM 1236 N GLY A 78 6.014 -0.329 -3.416 1.00 0.00 N ATOM 1237 CA GLY A 78 4.937 -1.228 -3.799 1.00 0.00 C ATOM 1238 C GLY A 78 5.167 -2.653 -3.329 1.00 0.00 C ATOM 1239 O GLY A 78 5.880 -2.885 -2.353 1.00 0.00 O ATOM 0 H GLY A 78 6.767 -0.250 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.998 -0.860 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.832 -1.220 -4.884 1.00 0.00 H new ATOM 1243 N PHE A 79 4.557 -3.608 -4.026 1.00 0.00 N ATOM 1244 CA PHE A 79 4.696 -5.019 -3.677 1.00 0.00 C ATOM 1245 C PHE A 79 6.145 -5.473 -3.820 1.00 0.00 C ATOM 1246 O PHE A 79 6.827 -5.725 -2.828 1.00 0.00 O ATOM 1247 CB PHE A 79 3.782 -5.875 -4.563 1.00 0.00 C ATOM 1248 CG PHE A 79 4.019 -7.354 -4.434 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.184 -7.939 -3.189 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.079 -8.158 -5.562 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.404 -9.299 -3.071 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.297 -9.518 -5.450 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.460 -10.089 -4.202 1.00 0.00 C ATOM 0 H PHE A 79 3.962 -3.431 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 79 4.400 -5.146 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.743 -5.660 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.925 -5.584 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.140 -7.326 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.954 -7.716 -6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.532 -9.743 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.340 -10.134 -6.336 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.631 -11.152 -4.112 1.00 0.00 H new ATOM 1263 N ASP A 80 6.612 -5.567 -5.063 1.00 0.00 N ATOM 1264 CA ASP A 80 7.984 -5.986 -5.332 1.00 0.00 C ATOM 1265 C ASP A 80 8.972 -5.062 -4.629 1.00 0.00 C ATOM 1266 O ASP A 80 9.933 -5.518 -4.005 1.00 0.00 O ATOM 1267 CB ASP A 80 8.252 -5.991 -6.838 1.00 0.00 C ATOM 1268 CG ASP A 80 9.644 -6.490 -7.176 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.622 -5.925 -6.643 1.00 0.00 O ATOM 1270 OD2 ASP A 80 9.755 -7.444 -7.974 1.00 0.00 O ATOM 0 H ASP A 80 6.062 -5.359 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 80 8.117 -6.997 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.513 -6.621 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.126 -4.982 -7.230 1.00 0.00 H new ATOM 1275 N GLN A 81 8.723 -3.760 -4.729 1.00 0.00 N ATOM 1276 CA GLN A 81 9.584 -2.769 -4.096 1.00 0.00 C ATOM 1277 C GLN A 81 9.778 -3.099 -2.623 1.00 0.00 C ATOM 1278 O GLN A 81 10.829 -2.820 -2.045 1.00 0.00 O ATOM 1279 CB GLN A 81 8.987 -1.370 -4.243 1.00 0.00 C ATOM 1280 CG GLN A 81 10.030 -0.266 -4.310 1.00 0.00 C ATOM 1281 CD GLN A 81 10.229 0.263 -5.716 1.00 0.00 C ATOM 1282 OE1 GLN A 81 11.038 -0.262 -6.481 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.490 1.310 -6.064 1.00 0.00 N ATOM 0 H GLN A 81 7.933 -3.368 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 81 10.554 -2.790 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.377 -1.337 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.321 -1.178 -3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.729 0.553 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.979 -0.644 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.832 1.714 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.581 1.711 -6.998 1.00 0.00 H new ATOM 1292 N LEU A 82 8.756 -3.701 -2.019 1.00 0.00 N ATOM 1293 CA LEU A 82 8.822 -4.072 -0.616 1.00 0.00 C ATOM 1294 C LEU A 82 9.583 -5.376 -0.425 1.00 0.00 C ATOM 1295 O LEU A 82 10.307 -5.534 0.555 1.00 0.00 O ATOM 1296 CB LEU A 82 7.437 -4.187 -0.006 1.00 0.00 C ATOM 1297 CG LEU A 82 7.474 -4.444 1.493 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.517 -3.534 2.233 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.176 -5.896 1.777 1.00 0.00 C ATOM 0 H LEU A 82 7.878 -3.940 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 82 9.360 -3.276 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.882 -3.269 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.895 -4.996 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 82 8.477 -4.218 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.568 -3.744 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.791 -2.494 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.501 -3.708 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.205 -6.070 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.186 -6.146 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.922 -6.523 1.288 1.00 0.00 H new ATOM 1311 N ARG A 83 9.447 -6.300 -1.373 1.00 0.00 N ATOM 1312 CA ARG A 83 10.167 -7.569 -1.287 1.00 0.00 C ATOM 1313 C ARG A 83 11.646 -7.286 -1.065 1.00 0.00 C ATOM 1314 O ARG A 83 12.348 -8.052 -0.406 1.00 0.00 O ATOM 1315 CB ARG A 83 9.967 -8.391 -2.562 1.00 0.00 C ATOM 1316 CG ARG A 83 9.858 -9.886 -2.310 1.00 0.00 C ATOM 1317 CD ARG A 83 8.839 -10.535 -3.235 1.00 0.00 C ATOM 1318 NE ARG A 83 9.180 -10.343 -4.643 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.090 -11.065 -5.291 1.00 0.00 C ATOM 1320 NH1 ARG A 83 10.755 -12.027 -4.663 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.338 -10.825 -6.571 1.00 0.00 N ATOM 0 H ARG A 83 8.855 -6.198 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 83 9.777 -8.149 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.064 -8.049 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.801 -8.205 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.832 -10.353 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.573 -10.061 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.780 -11.602 -3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.852 -10.115 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 83 8.691 -9.612 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.569 -12.216 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.452 -12.577 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.831 -10.087 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.036 -11.379 -7.068 1.00 0.00 H new ATOM 1335 N GLU A 84 12.099 -6.152 -1.596 1.00 0.00 N ATOM 1336 CA GLU A 84 13.481 -5.734 -1.427 1.00 0.00 C ATOM 1337 C GLU A 84 13.711 -5.363 0.031 1.00 0.00 C ATOM 1338 O GLU A 84 14.775 -5.618 0.594 1.00 0.00 O ATOM 1339 CB GLU A 84 13.801 -4.545 -2.335 1.00 0.00 C ATOM 1340 CG GLU A 84 15.289 -4.277 -2.487 1.00 0.00 C ATOM 1341 CD GLU A 84 15.632 -3.627 -3.813 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.084 -4.065 -4.847 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.446 -2.680 -3.818 1.00 0.00 O ATOM 0 H GLU A 84 11.527 -5.510 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 84 14.142 -6.555 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.371 -4.725 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.319 -3.653 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.623 -3.633 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.835 -5.216 -2.395 1.00 0.00 H new ATOM 1350 N TYR A 85 12.679 -4.784 0.646 1.00 0.00 N ATOM 1351 CA TYR A 85 12.733 -4.405 2.047 1.00 0.00 C ATOM 1352 C TYR A 85 12.923 -5.654 2.899 1.00 0.00 C ATOM 1353 O TYR A 85 13.604 -5.631 3.923 1.00 0.00 O ATOM 1354 CB TYR A 85 11.431 -3.694 2.431 1.00 0.00 C ATOM 1355 CG TYR A 85 11.473 -2.988 3.765 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.300 -3.689 4.951 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.676 -1.616 3.838 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.329 -3.045 6.172 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.708 -0.963 5.053 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.534 -1.681 6.218 1.00 0.00 C ATOM 1361 OH TYR A 85 11.565 -1.034 7.432 1.00 0.00 O ATOM 0 H TYR A 85 11.794 -4.569 0.188 1.00 0.00 H new ATOM 0 HA TYR A 85 13.570 -3.728 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.187 -2.967 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.623 -4.426 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.140 -4.757 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.811 -1.050 2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.192 -3.605 7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.868 0.104 5.092 1.00 0.00 H new ATOM 0 HH TYR A 85 11.720 -0.077 7.289 1.00 0.00 H new ATOM 1371 N PHE A 86 12.319 -6.750 2.443 1.00 0.00 N ATOM 1372 CA PHE A 86 12.400 -8.034 3.131 1.00 0.00 C ATOM 1373 C PHE A 86 13.625 -8.826 2.686 1.00 0.00 C ATOM 1374 O PHE A 86 14.576 -8.997 3.447 1.00 0.00 O ATOM 1375 CB PHE A 86 11.122 -8.837 2.859 1.00 0.00 C ATOM 1376 CG PHE A 86 9.968 -8.433 3.733 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.153 -8.189 5.085 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.703 -8.277 3.197 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.097 -7.798 5.881 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.644 -7.883 3.990 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.841 -7.642 5.332 1.00 0.00 C ATOM 0 H PHE A 86 11.762 -6.772 1.589 1.00 0.00 H new ATOM 0 HA PHE A 86 12.497 -7.849 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.838 -8.712 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.328 -9.897 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.135 -8.306 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.542 -8.466 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.253 -7.614 6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.661 -7.764 3.558 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.014 -7.332 5.953 1.00 0.00 H new ATOM 1391 N LYS A 87 13.595 -9.309 1.447 1.00 0.00 N ATOM 1392 CA LYS A 87 14.703 -10.085 0.900 1.00 0.00 C ATOM 1393 C LYS A 87 14.960 -11.334 1.739 1.00 0.00 C ATOM 1394 O LYS A 87 14.364 -12.387 1.428 1.00 0.00 O ATOM 1395 CB LYS A 87 15.969 -9.230 0.837 1.00 0.00 C ATOM 1396 CG LYS A 87 16.079 -8.400 -0.433 1.00 0.00 C ATOM 1397 CD LYS A 87 17.426 -8.593 -1.114 1.00 0.00 C ATOM 1398 CE LYS A 87 18.565 -8.083 -0.247 1.00 0.00 C ATOM 1399 NZ LYS A 87 19.896 -8.403 -0.834 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.754 -11.247 2.699 1.00 0.00 O ATOM 0 H LYS A 87 12.815 -9.176 0.803 1.00 0.00 H new ATOM 0 HA LYS A 87 14.432 -10.397 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.991 -8.564 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.841 -9.880 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.280 -8.678 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.940 -7.346 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.577 -9.650 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.431 -8.068 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.472 -7.004 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.491 -8.525 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 20.646 -8.038 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.995 -9.434 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.977 -7.960 -1.772 1.00 0.00 H new