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 7 TYR OH : rot -21:sc= -1.25! USER MOD Set 1.2: A 65 MET CE :methyl 154:sc= -4.07! (180deg=-6.53!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -4.19! (180deg=-5.28!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -2.13 USER MOD Single : A 9 SER OG : rot 64:sc= 1.19 USER MOD Single : A 10 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.46) USER MOD Single : A 12 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.55) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -22:sc= -0.508 USER MOD Single : A 19 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.7) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 0.223 (180deg=0.0237) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.0513 (180deg=-0.385) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD Single : A 35 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.72) USER MOD Single : A 37 MET CE :methyl 157:sc= -0.903 (180deg=-2.08!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0131) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.367 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 67 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.6!) USER MOD Single : A 74 SER OG : rot 73:sc= 1.13 USER MOD Single : A 75 HIS : no HE2:sc= -3.02 K(o=-3,f=-1.4) USER MOD Single : A 81 GLN : amide:sc= -0.0761 K(o=-0.076,f=-2.2!) 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 -12.057 -0.266 -4.385 1.00 0.00 N ATOM 2 CA MET A 1 -10.669 -0.651 -4.759 1.00 0.00 C ATOM 3 C MET A 1 -9.619 0.112 -3.972 1.00 0.00 C ATOM 4 O MET A 1 -9.378 1.291 -4.217 1.00 0.00 O ATOM 5 CB MET A 1 -10.480 -0.390 -6.248 1.00 0.00 C ATOM 6 CG MET A 1 -9.269 -1.076 -6.858 1.00 0.00 C ATOM 7 SD MET A 1 -9.700 -2.605 -7.713 1.00 0.00 S ATOM 8 CE MET A 1 -9.890 -2.013 -9.393 1.00 0.00 C ATOM 0 H1 MET A 1 -12.726 -0.966 -4.765 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.141 -0.234 -3.349 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.275 0.671 -4.779 1.00 0.00 H new ATOM 0 HA MET A 1 -10.537 -1.707 -4.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.374 -0.719 -6.778 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.392 0.685 -6.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.784 -0.396 -7.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.545 -1.294 -6.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.158 -2.845 -10.044 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.676 -1.259 -9.426 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.952 -1.574 -9.732 1.00 0.00 H new ATOM 20 N PHE A 2 -8.965 -0.581 -3.052 1.00 0.00 N ATOM 21 CA PHE A 2 -7.915 0.032 -2.259 1.00 0.00 C ATOM 22 C PHE A 2 -6.642 0.138 -3.081 1.00 0.00 C ATOM 23 O PHE A 2 -6.343 -0.733 -3.895 1.00 0.00 O ATOM 24 CB PHE A 2 -7.665 -0.771 -0.986 1.00 0.00 C ATOM 25 CG PHE A 2 -8.793 -0.679 -0.002 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.907 -1.491 -0.129 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.743 0.228 1.045 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.952 -1.404 0.770 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.784 0.320 1.947 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.891 -0.495 1.810 1.00 0.00 C ATOM 0 H PHE A 2 -9.143 -1.562 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.233 1.034 -1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.504 -1.817 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.749 -0.416 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.960 -2.201 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.881 0.869 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.815 -2.044 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.733 1.029 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.707 -0.422 2.514 1.00 0.00 H new ATOM 40 N LYS A 3 -5.906 1.215 -2.877 1.00 0.00 N ATOM 41 CA LYS A 3 -4.675 1.439 -3.616 1.00 0.00 C ATOM 42 C LYS A 3 -3.461 1.188 -2.737 1.00 0.00 C ATOM 43 O LYS A 3 -3.303 1.811 -1.691 1.00 0.00 O ATOM 44 CB LYS A 3 -4.643 2.868 -4.157 1.00 0.00 C ATOM 45 CG LYS A 3 -5.365 3.032 -5.483 1.00 0.00 C ATOM 46 CD LYS A 3 -6.815 3.446 -5.277 1.00 0.00 C ATOM 47 CE LYS A 3 -7.110 4.794 -5.916 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.572 4.653 -7.324 1.00 0.00 N ATOM 0 H LYS A 3 -6.138 1.948 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.644 0.738 -4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.093 3.536 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.605 3.179 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.853 3.781 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.328 2.095 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.474 2.689 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.032 3.494 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.872 5.312 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.213 5.413 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.762 5.594 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.835 4.181 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.442 4.084 -7.348 1.00 0.00 H new ATOM 62 N VAL A 4 -2.605 0.268 -3.159 1.00 0.00 N ATOM 63 CA VAL A 4 -1.409 -0.049 -2.389 1.00 0.00 C ATOM 64 C VAL A 4 -0.138 0.395 -3.103 1.00 0.00 C ATOM 65 O VAL A 4 0.002 0.241 -4.315 1.00 0.00 O ATOM 66 CB VAL A 4 -1.291 -1.557 -2.084 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.075 -1.883 -1.496 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.381 -2.001 -1.133 1.00 0.00 C ATOM 0 H VAL A 4 -2.713 -0.267 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.514 0.500 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.406 -2.097 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.136 -2.951 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.853 -1.606 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.215 -1.325 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.277 -3.067 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.296 -1.447 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.356 -1.809 -1.582 1.00 0.00 H new ATOM 78 N TYR A 5 0.798 0.903 -2.315 1.00 0.00 N ATOM 79 CA TYR A 5 2.089 1.332 -2.821 1.00 0.00 C ATOM 80 C TYR A 5 3.170 0.520 -2.130 1.00 0.00 C ATOM 81 O TYR A 5 3.526 0.803 -0.988 1.00 0.00 O ATOM 82 CB TYR A 5 2.321 2.819 -2.551 1.00 0.00 C ATOM 83 CG TYR A 5 1.475 3.748 -3.387 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.089 3.670 -3.363 1.00 0.00 C ATOM 85 CD2 TYR A 5 2.066 4.720 -4.184 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.684 4.536 -4.111 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.300 5.587 -4.939 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.075 5.492 -4.898 1.00 0.00 C ATOM 89 OH TYR A 5 -0.842 6.355 -5.646 1.00 0.00 O ATOM 0 H TYR A 5 0.682 1.028 -1.309 1.00 0.00 H new ATOM 0 HA TYR A 5 2.117 1.176 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.124 3.019 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.372 3.047 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.391 2.921 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.143 4.799 -4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.761 4.465 -4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.775 6.334 -5.557 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.258 6.966 -6.142 1.00 0.00 H new ATOM 99 N GLY A 6 3.670 -0.504 -2.802 1.00 0.00 N ATOM 100 CA GLY A 6 4.684 -1.335 -2.197 1.00 0.00 C ATOM 101 C GLY A 6 5.515 -2.087 -3.208 1.00 0.00 C ATOM 102 O GLY A 6 5.891 -1.546 -4.248 1.00 0.00 O ATOM 0 H GLY A 6 3.394 -0.772 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.339 -0.712 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.207 -2.048 -1.525 1.00 0.00 H new ATOM 106 N TYR A 7 5.821 -3.334 -2.884 1.00 0.00 N ATOM 107 CA TYR A 7 6.632 -4.171 -3.735 1.00 0.00 C ATOM 108 C TYR A 7 5.930 -5.487 -4.045 1.00 0.00 C ATOM 109 O TYR A 7 5.018 -5.895 -3.327 1.00 0.00 O ATOM 110 CB TYR A 7 7.949 -4.424 -3.027 1.00 0.00 C ATOM 111 CG TYR A 7 8.541 -3.152 -2.487 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.276 -2.318 -3.307 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.329 -2.766 -1.171 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.794 -1.135 -2.832 1.00 0.00 C ATOM 115 CE2 TYR A 7 8.840 -1.581 -0.688 1.00 0.00 C ATOM 116 CZ TYR A 7 9.575 -0.767 -1.522 1.00 0.00 C ATOM 117 OH TYR A 7 10.088 0.418 -1.048 1.00 0.00 O ATOM 0 H TYR A 7 5.512 -3.787 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 7 6.804 -3.668 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.794 -5.129 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.652 -4.888 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.447 -2.599 -4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.755 -3.404 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.371 -0.496 -3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.665 -1.292 0.338 1.00 0.00 H new ATOM 0 HH TYR A 7 10.831 0.704 -1.619 1.00 0.00 H new ATOM 127 N ASP A 8 6.357 -6.152 -5.113 1.00 0.00 N ATOM 128 CA ASP A 8 5.758 -7.423 -5.492 1.00 0.00 C ATOM 129 C ASP A 8 6.126 -8.508 -4.487 1.00 0.00 C ATOM 130 O ASP A 8 5.267 -9.007 -3.760 1.00 0.00 O ATOM 131 CB ASP A 8 6.201 -7.835 -6.898 1.00 0.00 C ATOM 132 CG ASP A 8 5.409 -9.013 -7.431 1.00 0.00 C ATOM 133 OD1 ASP A 8 5.608 -10.139 -6.927 1.00 0.00 O ATOM 134 OD2 ASP A 8 4.590 -8.811 -8.352 1.00 0.00 O ATOM 0 H ASP A 8 7.108 -5.835 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 8 4.675 -7.299 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.087 -6.988 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.261 -8.090 -6.882 1.00 0.00 H new ATOM 139 N SER A 9 7.410 -8.870 -4.449 1.00 0.00 N ATOM 140 CA SER A 9 7.897 -9.894 -3.525 1.00 0.00 C ATOM 141 C SER A 9 9.304 -10.356 -3.906 1.00 0.00 C ATOM 142 O SER A 9 10.145 -10.586 -3.037 1.00 0.00 O ATOM 143 CB SER A 9 6.944 -11.094 -3.495 1.00 0.00 C ATOM 144 OG SER A 9 6.019 -10.984 -2.426 1.00 0.00 O ATOM 0 H SER A 9 8.131 -8.468 -5.048 1.00 0.00 H new ATOM 0 HA SER A 9 7.937 -9.449 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.406 -11.159 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.517 -12.015 -3.391 1.00 0.00 H new ATOM 0 HG SER A 9 5.448 -10.200 -2.567 1.00 0.00 H new ATOM 150 N ASN A 10 9.555 -10.490 -5.205 1.00 0.00 N ATOM 151 CA ASN A 10 10.866 -10.924 -5.688 1.00 0.00 C ATOM 152 C ASN A 10 11.823 -9.742 -5.823 1.00 0.00 C ATOM 153 O ASN A 10 13.040 -9.923 -5.876 1.00 0.00 O ATOM 154 CB ASN A 10 10.731 -11.646 -7.028 1.00 0.00 C ATOM 155 CG ASN A 10 11.814 -12.688 -7.233 1.00 0.00 C ATOM 156 OD1 ASN A 10 12.849 -12.662 -6.568 1.00 0.00 O ATOM 157 ND2 ASN A 10 11.583 -13.612 -8.159 1.00 0.00 N ATOM 0 H ASN A 10 8.873 -10.306 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 10 11.279 -11.616 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.754 -12.126 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.774 -10.917 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.278 -14.336 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.711 -13.597 -8.688 1.00 0.00 H new ATOM 164 N ILE A 11 11.272 -8.533 -5.859 1.00 0.00 N ATOM 165 CA ILE A 11 12.084 -7.328 -5.970 1.00 0.00 C ATOM 166 C ILE A 11 12.469 -6.835 -4.580 1.00 0.00 C ATOM 167 O ILE A 11 13.615 -6.458 -4.335 1.00 0.00 O ATOM 168 CB ILE A 11 11.338 -6.201 -6.720 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.818 -6.699 -8.073 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.248 -4.995 -6.914 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.641 -7.644 -7.964 1.00 0.00 C ATOM 0 H ILE A 11 10.267 -8.362 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 11 12.977 -7.584 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 11 10.484 -5.898 -6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.528 -5.840 -8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.628 -7.202 -8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.706 -4.212 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.568 -4.621 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.122 -5.288 -7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.329 -7.953 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.931 -8.521 -7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.814 -7.139 -7.466 1.00 0.00 H new ATOM 183 N HIS A 12 11.502 -6.868 -3.668 1.00 0.00 N ATOM 184 CA HIS A 12 11.724 -6.456 -2.291 1.00 0.00 C ATOM 185 C HIS A 12 10.815 -7.241 -1.354 1.00 0.00 C ATOM 186 O HIS A 12 9.791 -7.781 -1.776 1.00 0.00 O ATOM 187 CB HIS A 12 11.497 -4.949 -2.117 1.00 0.00 C ATOM 188 CG HIS A 12 12.147 -4.395 -0.882 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.345 -4.855 -0.382 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.742 -3.412 -0.033 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.622 -4.161 0.731 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.681 -3.272 0.984 1.00 0.00 N ATOM 0 H HIS A 12 10.550 -7.179 -3.863 1.00 0.00 H new ATOM 0 HA HIS A 12 12.763 -6.669 -2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.885 -4.426 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.426 -4.751 -2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.836 -2.833 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.501 -4.310 1.341 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.648 -2.617 1.765 1.00 0.00 H new ATOM 200 N LYS A 13 11.196 -7.314 -0.083 1.00 0.00 N ATOM 201 CA LYS A 13 10.417 -8.046 0.910 1.00 0.00 C ATOM 202 C LYS A 13 8.939 -7.677 0.842 1.00 0.00 C ATOM 203 O LYS A 13 8.586 -6.537 0.533 1.00 0.00 O ATOM 204 CB LYS A 13 10.960 -7.775 2.313 1.00 0.00 C ATOM 205 CG LYS A 13 10.591 -8.851 3.320 1.00 0.00 C ATOM 206 CD LYS A 13 11.816 -9.621 3.791 1.00 0.00 C ATOM 207 CE LYS A 13 11.541 -11.115 3.875 1.00 0.00 C ATOM 208 NZ LYS A 13 12.098 -11.718 5.119 1.00 0.00 N ATOM 0 H LYS A 13 12.040 -6.875 0.284 1.00 0.00 H new ATOM 0 HA LYS A 13 10.509 -9.109 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.046 -7.690 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.580 -6.815 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.096 -8.394 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.877 -9.541 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.645 -9.441 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.125 -9.252 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.465 -11.288 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.973 -11.612 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.888 -12.736 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.128 -11.577 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.667 -11.262 5.949 1.00 0.00 H new ATOM 222 N CYS A 14 8.079 -8.651 1.129 1.00 0.00 N ATOM 223 CA CYS A 14 6.638 -8.429 1.097 1.00 0.00 C ATOM 224 C CYS A 14 5.876 -9.663 1.579 1.00 0.00 C ATOM 225 O CYS A 14 5.151 -10.294 0.810 1.00 0.00 O ATOM 226 CB CYS A 14 6.193 -8.067 -0.320 1.00 0.00 C ATOM 227 SG CYS A 14 4.827 -6.869 -0.383 1.00 0.00 S ATOM 0 H CYS A 14 8.355 -9.599 1.386 1.00 0.00 H new ATOM 0 HA CYS A 14 6.411 -7.603 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.045 -7.660 -0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.889 -8.977 -0.838 1.00 0.00 H new ATOM 232 N VAL A 15 6.039 -10.005 2.854 1.00 0.00 N ATOM 233 CA VAL A 15 5.359 -11.169 3.420 1.00 0.00 C ATOM 234 C VAL A 15 4.000 -10.803 4.013 1.00 0.00 C ATOM 235 O VAL A 15 3.004 -11.477 3.757 1.00 0.00 O ATOM 236 CB VAL A 15 6.207 -11.864 4.506 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.370 -12.609 3.874 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.707 -10.867 5.541 1.00 0.00 C ATOM 0 H VAL A 15 6.631 -9.498 3.512 1.00 0.00 H new ATOM 0 HA VAL A 15 5.212 -11.859 2.589 1.00 0.00 H new ATOM 0 HB VAL A 15 5.570 -12.583 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.958 -13.094 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.988 -13.363 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.999 -11.906 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.301 -11.389 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.323 -10.112 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.856 -10.385 6.022 1.00 0.00 H new ATOM 248 N TYR A 16 3.965 -9.746 4.820 1.00 0.00 N ATOM 249 CA TYR A 16 2.721 -9.321 5.456 1.00 0.00 C ATOM 250 C TYR A 16 1.782 -8.578 4.507 1.00 0.00 C ATOM 251 O TYR A 16 0.615 -8.347 4.833 1.00 0.00 O ATOM 252 CB TYR A 16 3.005 -8.493 6.699 1.00 0.00 C ATOM 253 CG TYR A 16 3.439 -7.108 6.377 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.983 -6.853 5.152 1.00 0.00 C ATOM 255 CD2 TYR A 16 3.298 -6.073 7.276 1.00 0.00 C ATOM 256 CE1 TYR A 16 4.385 -5.603 4.800 1.00 0.00 C ATOM 257 CE2 TYR A 16 3.699 -4.801 6.944 1.00 0.00 C ATOM 258 CZ TYR A 16 4.245 -4.565 5.698 1.00 0.00 C ATOM 259 OH TYR A 16 4.647 -3.298 5.355 1.00 0.00 O ATOM 0 H TYR A 16 4.777 -9.172 5.048 1.00 0.00 H new ATOM 0 HA TYR A 16 2.199 -10.232 5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.108 -8.454 7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.779 -8.984 7.289 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.097 -7.662 4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.869 -6.263 8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.811 -5.424 3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.588 -3.993 7.652 1.00 0.00 H new ATOM 0 HH TYR A 16 5.305 -3.348 4.631 1.00 0.00 H new ATOM 269 N CYS A 17 2.281 -8.211 3.339 1.00 0.00 N ATOM 270 CA CYS A 17 1.457 -7.511 2.363 1.00 0.00 C ATOM 271 C CYS A 17 0.478 -8.485 1.727 1.00 0.00 C ATOM 272 O CYS A 17 -0.713 -8.196 1.612 1.00 0.00 O ATOM 273 CB CYS A 17 2.312 -6.822 1.296 1.00 0.00 C ATOM 274 SG CYS A 17 3.221 -7.960 0.205 1.00 0.00 S ATOM 0 H CYS A 17 3.242 -8.383 3.043 1.00 0.00 H new ATOM 0 HA CYS A 17 0.899 -6.731 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.668 -6.190 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.027 -6.164 1.791 1.00 0.00 H new ATOM 279 N ASP A 18 0.977 -9.661 1.352 1.00 0.00 N ATOM 280 CA ASP A 18 0.128 -10.692 0.765 1.00 0.00 C ATOM 281 C ASP A 18 -1.036 -10.998 1.703 1.00 0.00 C ATOM 282 O ASP A 18 -2.097 -11.452 1.272 1.00 0.00 O ATOM 283 CB ASP A 18 0.939 -11.965 0.508 1.00 0.00 C ATOM 284 CG ASP A 18 0.405 -12.765 -0.664 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.764 -12.442 -1.815 1.00 0.00 O ATOM 286 OD2 ASP A 18 -0.371 -13.715 -0.429 1.00 0.00 O ATOM 0 H ASP A 18 1.959 -9.922 1.444 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.262 -10.328 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.979 -11.698 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.928 -12.586 1.403 1.00 0.00 H new ATOM 291 N ASN A 19 -0.826 -10.731 2.991 1.00 0.00 N ATOM 292 CA ASN A 19 -1.849 -10.955 4.003 1.00 0.00 C ATOM 293 C ASN A 19 -2.938 -9.896 3.886 1.00 0.00 C ATOM 294 O ASN A 19 -4.127 -10.205 3.909 1.00 0.00 O ATOM 295 CB ASN A 19 -1.229 -10.923 5.402 1.00 0.00 C ATOM 296 CG ASN A 19 -0.345 -12.126 5.674 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.750 -13.063 6.361 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.870 -12.105 5.134 1.00 0.00 N ATOM 0 H ASN A 19 0.050 -10.357 3.357 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.293 -11.938 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.642 -10.012 5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.024 -10.884 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.508 -12.887 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.164 -11.307 4.571 1.00 0.00 H new ATOM 305 N ALA A 20 -2.520 -8.642 3.747 1.00 0.00 N ATOM 306 CA ALA A 20 -3.462 -7.539 3.608 1.00 0.00 C ATOM 307 C ALA A 20 -4.319 -7.728 2.361 1.00 0.00 C ATOM 308 O ALA A 20 -5.470 -7.293 2.310 1.00 0.00 O ATOM 309 CB ALA A 20 -2.716 -6.216 3.545 1.00 0.00 C ATOM 0 H ALA A 20 -1.538 -8.366 3.728 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.118 -7.527 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.431 -5.400 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.140 -6.079 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.042 -6.219 2.689 1.00 0.00 H new ATOM 315 N LYS A 21 -3.745 -8.387 1.358 1.00 0.00 N ATOM 316 CA LYS A 21 -4.442 -8.646 0.104 1.00 0.00 C ATOM 317 C LYS A 21 -5.552 -9.675 0.303 1.00 0.00 C ATOM 318 O LYS A 21 -6.729 -9.374 0.107 1.00 0.00 O ATOM 319 CB LYS A 21 -3.453 -9.144 -0.953 1.00 0.00 C ATOM 320 CG LYS A 21 -2.799 -8.029 -1.751 1.00 0.00 C ATOM 321 CD LYS A 21 -2.468 -8.476 -3.165 1.00 0.00 C ATOM 322 CE LYS A 21 -1.216 -9.338 -3.198 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.541 -10.790 -3.253 1.00 0.00 N ATOM 0 H LYS A 21 -2.793 -8.753 1.391 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.893 -7.714 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.677 -9.732 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.974 -9.812 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.465 -7.167 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.888 -7.706 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.308 -9.036 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.326 -7.602 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.613 -9.068 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.612 -9.135 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.788 -11.332 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.445 -10.962 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.617 -11.091 -4.245 1.00 0.00 H new ATOM 337 N ARG A 22 -5.173 -10.890 0.697 1.00 0.00 N ATOM 338 CA ARG A 22 -6.147 -11.954 0.924 1.00 0.00 C ATOM 339 C ARG A 22 -7.219 -11.492 1.904 1.00 0.00 C ATOM 340 O ARG A 22 -8.373 -11.917 1.827 1.00 0.00 O ATOM 341 CB ARG A 22 -5.460 -13.221 1.446 1.00 0.00 C ATOM 342 CG ARG A 22 -4.772 -13.039 2.788 1.00 0.00 C ATOM 343 CD ARG A 22 -5.693 -13.404 3.942 1.00 0.00 C ATOM 344 NE ARG A 22 -5.023 -13.295 5.234 1.00 0.00 N ATOM 345 CZ ARG A 22 -4.211 -14.226 5.730 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.962 -15.334 5.043 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.645 -14.048 6.916 1.00 0.00 N ATOM 0 H ARG A 22 -4.204 -11.160 0.865 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.621 -12.190 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.202 -14.015 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.724 -13.552 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.877 -13.659 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.447 -12.004 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.565 -12.750 3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.056 -14.423 3.807 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.187 -12.456 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.394 -15.476 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.339 -16.044 5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.832 -13.198 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.023 -14.761 7.296 1.00 0.00 H new ATOM 361 N LEU A 23 -6.832 -10.602 2.814 1.00 0.00 N ATOM 362 CA LEU A 23 -7.758 -10.060 3.800 1.00 0.00 C ATOM 363 C LEU A 23 -8.927 -9.384 3.094 1.00 0.00 C ATOM 364 O LEU A 23 -10.089 -9.706 3.340 1.00 0.00 O ATOM 365 CB LEU A 23 -7.029 -9.058 4.705 1.00 0.00 C ATOM 366 CG LEU A 23 -7.925 -8.116 5.516 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.167 -7.565 6.712 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.435 -6.976 4.645 1.00 0.00 C ATOM 0 H LEU A 23 -5.881 -10.241 2.888 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.143 -10.872 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.399 -9.615 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.366 -8.454 4.086 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.782 -8.685 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.816 -6.898 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.847 -8.388 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.293 -7.013 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.069 -6.319 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.589 -6.409 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.012 -7.383 3.815 1.00 0.00 H new ATOM 380 N LEU A 24 -8.605 -8.451 2.202 1.00 0.00 N ATOM 381 CA LEU A 24 -9.621 -7.730 1.445 1.00 0.00 C ATOM 382 C LEU A 24 -10.541 -8.706 0.726 1.00 0.00 C ATOM 383 O LEU A 24 -11.763 -8.565 0.759 1.00 0.00 O ATOM 384 CB LEU A 24 -8.963 -6.791 0.436 1.00 0.00 C ATOM 385 CG LEU A 24 -8.291 -5.563 1.046 1.00 0.00 C ATOM 386 CD1 LEU A 24 -7.043 -5.194 0.265 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.257 -4.394 1.083 1.00 0.00 C ATOM 0 H LEU A 24 -7.646 -8.177 1.986 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.215 -7.138 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.218 -7.352 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.719 -6.458 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.998 -5.804 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.578 -4.317 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.341 -6.028 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.312 -4.972 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.762 -3.527 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.578 -4.155 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.126 -4.659 1.686 1.00 0.00 H new ATOM 399 N THR A 25 -9.944 -9.711 0.089 1.00 0.00 N ATOM 400 CA THR A 25 -10.714 -10.724 -0.620 1.00 0.00 C ATOM 401 C THR A 25 -11.734 -11.347 0.325 1.00 0.00 C ATOM 402 O THR A 25 -12.857 -11.661 -0.067 1.00 0.00 O ATOM 403 CB THR A 25 -9.788 -11.803 -1.183 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.585 -11.231 -1.665 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.408 -12.592 -2.316 1.00 0.00 C ATOM 0 H THR A 25 -8.933 -9.843 0.051 1.00 0.00 H new ATOM 0 HA THR A 25 -11.237 -10.252 -1.452 1.00 0.00 H new ATOM 0 HB THR A 25 -9.597 -12.481 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.006 -11.938 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.699 -13.340 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.312 -13.088 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.661 -11.917 -3.134 1.00 0.00 H new ATOM 413 N VAL A 26 -11.328 -11.500 1.582 1.00 0.00 N ATOM 414 CA VAL A 26 -12.189 -12.063 2.612 1.00 0.00 C ATOM 415 C VAL A 26 -13.163 -11.006 3.124 1.00 0.00 C ATOM 416 O VAL A 26 -14.295 -11.315 3.499 1.00 0.00 O ATOM 417 CB VAL A 26 -11.361 -12.605 3.794 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.258 -13.277 4.822 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.294 -13.570 3.298 1.00 0.00 C ATOM 0 H VAL A 26 -10.399 -11.239 1.912 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.744 -12.888 2.165 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.866 -11.763 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.650 -13.651 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.980 -12.555 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.787 -14.108 4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.719 -13.943 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.770 -14.406 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.628 -13.053 2.607 1.00 0.00 H new ATOM 429 N LYS A 27 -12.713 -9.754 3.129 1.00 0.00 N ATOM 430 CA LYS A 27 -13.539 -8.641 3.582 1.00 0.00 C ATOM 431 C LYS A 27 -14.624 -8.315 2.554 1.00 0.00 C ATOM 432 O LYS A 27 -15.552 -7.559 2.840 1.00 0.00 O ATOM 433 CB LYS A 27 -12.669 -7.405 3.837 1.00 0.00 C ATOM 434 CG LYS A 27 -12.566 -7.017 5.305 1.00 0.00 C ATOM 435 CD LYS A 27 -11.285 -7.543 5.932 1.00 0.00 C ATOM 436 CE LYS A 27 -11.543 -8.151 7.301 1.00 0.00 C ATOM 437 NZ LYS A 27 -12.425 -9.349 7.221 1.00 0.00 N ATOM 0 H LYS A 27 -11.778 -9.485 2.823 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.024 -8.933 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.667 -7.591 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.077 -6.564 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.599 -5.932 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.426 -7.410 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.840 -8.293 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.564 -6.731 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.594 -8.429 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.003 -7.405 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.248 -9.966 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.420 -9.048 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.223 -9.871 6.344 1.00 0.00 H new ATOM 451 N LYS A 28 -14.498 -8.890 1.356 1.00 0.00 N ATOM 452 CA LYS A 28 -15.463 -8.664 0.281 1.00 0.00 C ATOM 453 C LYS A 28 -15.255 -7.295 -0.360 1.00 0.00 C ATOM 454 O LYS A 28 -16.211 -6.556 -0.600 1.00 0.00 O ATOM 455 CB LYS A 28 -16.899 -8.792 0.806 1.00 0.00 C ATOM 456 CG LYS A 28 -17.734 -9.812 0.048 1.00 0.00 C ATOM 457 CD LYS A 28 -17.837 -11.124 0.809 1.00 0.00 C ATOM 458 CE LYS A 28 -17.734 -12.319 -0.126 1.00 0.00 C ATOM 459 NZ LYS A 28 -17.565 -13.596 0.623 1.00 0.00 N ATOM 0 H LYS A 28 -13.734 -9.518 1.107 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.301 -9.427 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.869 -9.070 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.387 -7.819 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.733 -9.411 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.290 -9.992 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.045 -11.176 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.785 -11.161 1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.631 -12.376 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.890 -12.180 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.499 -14.387 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.696 -13.552 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.382 -13.742 1.249 1.00 0.00 H new ATOM 473 N GLN A 29 -13.999 -6.961 -0.643 1.00 0.00 N ATOM 474 CA GLN A 29 -13.676 -5.681 -1.258 1.00 0.00 C ATOM 475 C GLN A 29 -12.514 -5.814 -2.241 1.00 0.00 C ATOM 476 O GLN A 29 -11.496 -6.432 -1.931 1.00 0.00 O ATOM 477 CB GLN A 29 -13.336 -4.648 -0.183 1.00 0.00 C ATOM 478 CG GLN A 29 -14.569 -3.993 0.419 1.00 0.00 C ATOM 479 CD GLN A 29 -14.298 -3.320 1.749 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.686 -2.254 1.804 1.00 0.00 O ATOM 481 NE2 GLN A 29 -14.762 -3.940 2.828 1.00 0.00 N ATOM 0 H GLN A 29 -13.193 -7.557 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.553 -5.347 -1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.764 -5.130 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.696 -3.878 -0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.959 -3.255 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.345 -4.747 0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.264 -4.823 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.616 -3.533 3.752 1.00 0.00 H new ATOM 490 N PRO A 30 -12.648 -5.220 -3.442 1.00 0.00 N ATOM 491 CA PRO A 30 -11.602 -5.263 -4.464 1.00 0.00 C ATOM 492 C PRO A 30 -10.532 -4.217 -4.203 1.00 0.00 C ATOM 493 O PRO A 30 -10.734 -3.314 -3.395 1.00 0.00 O ATOM 494 CB PRO A 30 -12.372 -4.921 -5.735 1.00 0.00 C ATOM 495 CG PRO A 30 -13.407 -3.962 -5.267 1.00 0.00 C ATOM 496 CD PRO A 30 -13.823 -4.447 -3.900 1.00 0.00 C ATOM 0 HA PRO A 30 -11.079 -6.219 -4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.724 -4.475 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.820 -5.808 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.009 -2.949 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.256 -3.938 -5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.045 -3.617 -3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.718 -5.067 -3.948 1.00 0.00 H new ATOM 504 N PHE A 31 -9.397 -4.334 -4.883 1.00 0.00 N ATOM 505 CA PHE A 31 -8.312 -3.378 -4.703 1.00 0.00 C ATOM 506 C PHE A 31 -7.321 -3.417 -5.863 1.00 0.00 C ATOM 507 O PHE A 31 -7.385 -4.303 -6.715 1.00 0.00 O ATOM 508 CB PHE A 31 -7.586 -3.644 -3.400 1.00 0.00 C ATOM 509 CG PHE A 31 -7.199 -5.077 -3.250 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.155 -6.022 -2.935 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.892 -5.483 -3.441 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.820 -7.351 -2.812 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.545 -6.813 -3.317 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.511 -7.751 -3.002 1.00 0.00 C ATOM 0 H PHE A 31 -9.205 -5.074 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.757 -2.384 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.693 -3.022 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.224 -3.353 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.179 -5.714 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.136 -4.753 -3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.579 -8.080 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.521 -7.121 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.243 -8.793 -2.905 1.00 0.00 H new ATOM 524 N GLU A 32 -6.397 -2.456 -5.883 1.00 0.00 N ATOM 525 CA GLU A 32 -5.387 -2.387 -6.932 1.00 0.00 C ATOM 526 C GLU A 32 -4.014 -2.073 -6.343 1.00 0.00 C ATOM 527 O GLU A 32 -3.882 -1.219 -5.465 1.00 0.00 O ATOM 528 CB GLU A 32 -5.768 -1.333 -7.974 1.00 0.00 C ATOM 529 CG GLU A 32 -5.752 0.091 -7.440 1.00 0.00 C ATOM 530 CD GLU A 32 -4.805 0.992 -8.209 1.00 0.00 C ATOM 531 OE1 GLU A 32 -3.724 0.511 -8.611 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.144 2.177 -8.410 1.00 0.00 O ATOM 0 H GLU A 32 -6.330 -1.716 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.338 -3.361 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.080 -1.403 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.764 -1.557 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.760 0.504 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.462 0.078 -6.389 1.00 0.00 H new ATOM 539 N PHE A 33 -3.002 -2.780 -6.828 1.00 0.00 N ATOM 540 CA PHE A 33 -1.636 -2.604 -6.358 1.00 0.00 C ATOM 541 C PHE A 33 -0.903 -1.534 -7.159 1.00 0.00 C ATOM 542 O PHE A 33 -1.300 -1.192 -8.274 1.00 0.00 O ATOM 543 CB PHE A 33 -0.890 -3.933 -6.477 1.00 0.00 C ATOM 544 CG PHE A 33 0.252 -4.075 -5.522 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.035 -4.012 -4.159 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.540 -4.273 -5.987 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.085 -4.144 -3.271 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.595 -4.406 -5.106 1.00 0.00 C ATOM 549 CZ PHE A 33 2.368 -4.340 -3.746 1.00 0.00 C ATOM 0 H PHE A 33 -3.105 -3.488 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.670 -2.280 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.593 -4.749 -6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.515 -4.038 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.966 -3.858 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.722 -4.324 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.904 -4.094 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.596 -4.561 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.191 -4.441 -3.054 1.00 0.00 H new ATOM 559 N ILE A 34 0.178 -1.019 -6.582 1.00 0.00 N ATOM 560 CA ILE A 34 0.991 0.001 -7.232 1.00 0.00 C ATOM 561 C ILE A 34 2.458 -0.200 -6.892 1.00 0.00 C ATOM 562 O ILE A 34 2.855 -0.170 -5.727 1.00 0.00 O ATOM 563 CB ILE A 34 0.563 1.420 -6.835 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.959 1.541 -6.905 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.226 2.447 -7.742 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.494 2.851 -6.376 1.00 0.00 C ATOM 0 H ILE A 34 0.512 -1.294 -5.659 1.00 0.00 H new ATOM 0 HA ILE A 34 0.842 -0.106 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 34 0.883 1.614 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.276 1.422 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.405 0.723 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.912 3.449 -7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.309 2.365 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.932 2.264 -8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.581 2.861 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.210 2.964 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.078 3.675 -6.956 1.00 0.00 H new ATOM 578 N ASN A 35 3.248 -0.424 -7.924 1.00 0.00 N ATOM 579 CA ASN A 35 4.678 -0.656 -7.771 1.00 0.00 C ATOM 580 C ASN A 35 5.447 0.654 -7.662 1.00 0.00 C ATOM 581 O ASN A 35 5.398 1.494 -8.559 1.00 0.00 O ATOM 582 CB ASN A 35 5.209 -1.473 -8.952 1.00 0.00 C ATOM 583 CG ASN A 35 6.399 -2.334 -8.574 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.547 -1.977 -8.840 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.130 -3.477 -7.953 1.00 0.00 N ATOM 0 H ASN A 35 2.922 -0.451 -8.890 1.00 0.00 H new ATOM 0 HA ASN A 35 4.827 -1.214 -6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.412 -2.109 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.495 -0.797 -9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.890 -4.098 -7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.163 -3.733 -7.752 1.00 0.00 H new ATOM 592 N ILE A 36 6.169 0.810 -6.557 1.00 0.00 N ATOM 593 CA ILE A 36 6.966 2.008 -6.323 1.00 0.00 C ATOM 594 C ILE A 36 8.428 1.768 -6.695 1.00 0.00 C ATOM 595 O ILE A 36 9.184 2.712 -6.926 1.00 0.00 O ATOM 596 CB ILE A 36 6.889 2.456 -4.851 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.385 1.342 -3.926 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.466 2.860 -4.493 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.394 1.811 -2.901 1.00 0.00 C ATOM 0 H ILE A 36 6.218 0.119 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 36 6.554 2.795 -6.954 1.00 0.00 H new ATOM 0 HB ILE A 36 7.535 3.324 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.531 0.903 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.833 0.552 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.428 3.174 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.150 3.685 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.799 2.011 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.701 0.969 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.265 2.223 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.944 2.579 -2.273 1.00 0.00 H new ATOM 611 N MET A 37 8.818 0.496 -6.752 1.00 0.00 N ATOM 612 CA MET A 37 10.184 0.130 -7.098 1.00 0.00 C ATOM 613 C MET A 37 10.204 -0.833 -8.281 1.00 0.00 C ATOM 614 O MET A 37 10.288 -2.049 -8.104 1.00 0.00 O ATOM 615 CB MET A 37 10.891 -0.497 -5.898 1.00 0.00 C ATOM 616 CG MET A 37 12.311 -0.959 -6.193 1.00 0.00 C ATOM 617 SD MET A 37 12.896 -2.195 -5.018 1.00 0.00 S ATOM 618 CE MET A 37 13.151 -1.181 -3.564 1.00 0.00 C ATOM 0 H MET A 37 8.205 -0.297 -6.562 1.00 0.00 H new ATOM 0 HA MET A 37 10.715 1.038 -7.383 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.917 0.228 -5.084 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.307 -1.349 -5.549 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.353 -1.373 -7.201 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.980 -0.099 -6.174 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.111 -1.807 -2.672 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.126 -0.697 -3.624 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.371 -0.421 -3.509 1.00 0.00 H new ATOM 628 N PRO A 38 10.129 -0.296 -9.508 1.00 0.00 N ATOM 629 CA PRO A 38 10.143 -1.107 -10.728 1.00 0.00 C ATOM 630 C PRO A 38 11.510 -1.734 -10.981 1.00 0.00 C ATOM 631 O PRO A 38 11.647 -2.641 -11.801 1.00 0.00 O ATOM 632 CB PRO A 38 9.801 -0.101 -11.828 1.00 0.00 C ATOM 633 CG PRO A 38 10.242 1.215 -11.286 1.00 0.00 C ATOM 634 CD PRO A 38 10.028 1.144 -9.800 1.00 0.00 C ATOM 0 HA PRO A 38 9.448 -1.945 -10.673 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.317 -0.340 -12.758 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.733 -0.101 -12.047 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.290 1.402 -11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.666 2.030 -11.725 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.780 1.717 -9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.055 1.544 -9.515 1.00 0.00 H new ATOM 642 N GLU A 39 12.518 -1.243 -10.267 1.00 0.00 N ATOM 643 CA GLU A 39 13.874 -1.751 -10.407 1.00 0.00 C ATOM 644 C GLU A 39 14.555 -1.852 -9.049 1.00 0.00 C ATOM 645 O GLU A 39 14.328 -1.023 -8.167 1.00 0.00 O ATOM 646 CB GLU A 39 14.691 -0.847 -11.333 1.00 0.00 C ATOM 647 CG GLU A 39 15.898 -1.537 -11.948 1.00 0.00 C ATOM 648 CD GLU A 39 16.020 -1.283 -13.438 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.301 -1.947 -14.215 1.00 0.00 O ATOM 650 OE2 GLU A 39 16.834 -0.421 -13.828 1.00 0.00 O ATOM 0 H GLU A 39 12.419 -0.492 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 39 13.818 -2.748 -10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.046 -0.481 -12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.028 0.024 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.803 -1.190 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.827 -2.610 -11.771 1.00 0.00 H new ATOM 657 N LYS A 40 15.397 -2.866 -8.887 1.00 0.00 N ATOM 658 CA LYS A 40 16.114 -3.069 -7.633 1.00 0.00 C ATOM 659 C LYS A 40 17.168 -1.996 -7.414 1.00 0.00 C ATOM 660 O LYS A 40 17.775 -1.904 -6.347 1.00 0.00 O ATOM 661 CB LYS A 40 16.748 -4.460 -7.588 1.00 0.00 C ATOM 662 CG LYS A 40 17.853 -4.658 -8.612 1.00 0.00 C ATOM 663 CD LYS A 40 18.824 -5.747 -8.183 1.00 0.00 C ATOM 664 CE LYS A 40 19.209 -6.641 -9.350 1.00 0.00 C ATOM 665 NZ LYS A 40 18.241 -7.756 -9.538 1.00 0.00 N ATOM 0 H LYS A 40 15.600 -3.560 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 40 15.387 -2.993 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.153 -4.634 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.973 -5.209 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.415 -4.919 -9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.393 -3.722 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.720 -5.292 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.372 -6.350 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.259 -6.046 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.205 -7.050 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.539 -8.342 -10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.212 -8.339 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.295 -7.367 -9.725 1.00 0.00 H new ATOM 679 N GLY A 41 17.366 -1.193 -8.432 1.00 0.00 N ATOM 680 CA GLY A 41 18.335 -0.118 -8.370 1.00 0.00 C ATOM 681 C GLY A 41 17.793 1.108 -7.663 1.00 0.00 C ATOM 682 O GLY A 41 18.351 1.552 -6.660 1.00 0.00 O ATOM 0 H GLY A 41 16.867 -1.262 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.228 -0.467 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.638 0.153 -9.381 1.00 0.00 H new ATOM 686 N VAL A 42 16.698 1.653 -8.184 1.00 0.00 N ATOM 687 CA VAL A 42 16.084 2.835 -7.591 1.00 0.00 C ATOM 688 C VAL A 42 14.574 2.847 -7.811 1.00 0.00 C ATOM 689 O VAL A 42 14.091 2.479 -8.882 1.00 0.00 O ATOM 690 CB VAL A 42 16.685 4.132 -8.170 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.257 5.332 -7.341 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.203 4.037 -8.239 1.00 0.00 C ATOM 0 H VAL A 42 16.220 1.297 -9.012 1.00 0.00 H new ATOM 0 HA VAL A 42 16.290 2.791 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 42 16.308 4.264 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.690 6.239 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.170 5.411 -7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.604 5.208 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.607 4.962 -8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.604 3.880 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.487 3.201 -8.879 1.00 0.00 H new ATOM 702 N PHE A 43 13.835 3.277 -6.792 1.00 0.00 N ATOM 703 CA PHE A 43 12.376 3.340 -6.882 1.00 0.00 C ATOM 704 C PHE A 43 11.949 4.269 -8.016 1.00 0.00 C ATOM 705 O PHE A 43 12.722 5.116 -8.462 1.00 0.00 O ATOM 706 CB PHE A 43 11.744 3.826 -5.568 1.00 0.00 C ATOM 707 CG PHE A 43 12.529 3.500 -4.324 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.534 4.347 -3.884 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.252 2.359 -3.590 1.00 0.00 C ATOM 710 CE1 PHE A 43 14.251 4.060 -2.739 1.00 0.00 C ATOM 711 CE2 PHE A 43 12.965 2.066 -2.442 1.00 0.00 C ATOM 712 CZ PHE A 43 13.966 2.918 -2.017 1.00 0.00 C ATOM 0 H PHE A 43 14.218 3.586 -5.898 1.00 0.00 H new ATOM 0 HA PHE A 43 12.024 2.328 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.613 4.907 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.750 3.388 -5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.759 5.243 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.470 1.690 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.033 4.728 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.740 1.173 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.525 2.691 -1.121 1.00 0.00 H new ATOM 722 N ASP A 44 10.709 4.111 -8.472 1.00 0.00 N ATOM 723 CA ASP A 44 10.177 4.942 -9.549 1.00 0.00 C ATOM 724 C ASP A 44 9.917 6.364 -9.063 1.00 0.00 C ATOM 725 O ASP A 44 9.305 6.568 -8.016 1.00 0.00 O ATOM 726 CB ASP A 44 8.880 4.340 -10.095 1.00 0.00 C ATOM 727 CG ASP A 44 8.390 5.049 -11.343 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.942 6.120 -11.674 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.456 4.532 -11.991 1.00 0.00 O ATOM 0 H ASP A 44 10.054 3.416 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 44 10.921 4.976 -10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.039 3.285 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.109 4.390 -9.326 1.00 0.00 H new ATOM 734 N ASP A 45 10.376 7.346 -9.831 1.00 0.00 N ATOM 735 CA ASP A 45 10.181 8.747 -9.471 1.00 0.00 C ATOM 736 C ASP A 45 8.721 9.152 -9.646 1.00 0.00 C ATOM 737 O ASP A 45 8.227 10.048 -8.961 1.00 0.00 O ATOM 738 CB ASP A 45 11.078 9.647 -10.325 1.00 0.00 C ATOM 739 CG ASP A 45 11.261 11.023 -9.716 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.268 11.777 -9.645 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.396 11.346 -9.308 1.00 0.00 O ATOM 0 H ASP A 45 10.884 7.200 -10.703 1.00 0.00 H new ATOM 0 HA ASP A 45 10.452 8.868 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.052 9.174 -10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.645 9.748 -11.320 1.00 0.00 H new ATOM 746 N GLU A 46 8.036 8.486 -10.570 1.00 0.00 N ATOM 747 CA GLU A 46 6.632 8.772 -10.842 1.00 0.00 C ATOM 748 C GLU A 46 5.756 8.392 -9.651 1.00 0.00 C ATOM 749 O GLU A 46 5.022 9.224 -9.118 1.00 0.00 O ATOM 750 CB GLU A 46 6.174 8.017 -12.093 1.00 0.00 C ATOM 751 CG GLU A 46 4.704 8.213 -12.423 1.00 0.00 C ATOM 752 CD GLU A 46 4.287 7.476 -13.681 1.00 0.00 C ATOM 753 OE1 GLU A 46 4.399 8.065 -14.778 1.00 0.00 O ATOM 754 OE2 GLU A 46 3.850 6.312 -13.571 1.00 0.00 O ATOM 0 H GLU A 46 8.432 7.742 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 46 6.529 9.844 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.774 8.343 -12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.367 6.953 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.098 7.867 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.501 9.277 -12.545 1.00 0.00 H new ATOM 761 N LYS A 47 5.839 7.131 -9.237 1.00 0.00 N ATOM 762 CA LYS A 47 5.054 6.647 -8.107 1.00 0.00 C ATOM 763 C LYS A 47 5.481 7.336 -6.815 1.00 0.00 C ATOM 764 O LYS A 47 4.641 7.787 -6.035 1.00 0.00 O ATOM 765 CB LYS A 47 5.196 5.130 -7.967 1.00 0.00 C ATOM 766 CG LYS A 47 4.187 4.346 -8.791 1.00 0.00 C ATOM 767 CD LYS A 47 4.758 3.949 -10.143 1.00 0.00 C ATOM 768 CE LYS A 47 3.719 3.244 -11.000 1.00 0.00 C ATOM 769 NZ LYS A 47 4.346 2.428 -12.076 1.00 0.00 N ATOM 0 H LYS A 47 6.440 6.428 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 47 4.007 6.886 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.203 4.838 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.085 4.858 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.887 3.452 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.289 4.947 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.118 4.837 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.617 3.294 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.104 2.602 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.054 3.984 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.603 1.964 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.913 3.044 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.961 1.705 -11.650 1.00 0.00 H new ATOM 783 N ILE A 48 6.789 7.419 -6.594 1.00 0.00 N ATOM 784 CA ILE A 48 7.318 8.062 -5.396 1.00 0.00 C ATOM 785 C ILE A 48 6.837 9.510 -5.313 1.00 0.00 C ATOM 786 O ILE A 48 6.531 10.012 -4.231 1.00 0.00 O ATOM 787 CB ILE A 48 8.870 8.023 -5.376 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.380 6.695 -4.800 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.439 9.188 -4.573 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.614 5.476 -5.270 1.00 0.00 C ATOM 0 H ILE A 48 7.500 7.051 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 48 6.949 7.510 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 48 9.211 8.111 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.430 6.576 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.332 6.742 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.528 9.135 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.120 10.129 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.076 9.134 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.040 4.581 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.568 5.569 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.682 5.399 -6.355 1.00 0.00 H new ATOM 802 N ALA A 49 6.773 10.172 -6.464 1.00 0.00 N ATOM 803 CA ALA A 49 6.333 11.559 -6.526 1.00 0.00 C ATOM 804 C ALA A 49 4.835 11.673 -6.267 1.00 0.00 C ATOM 805 O ALA A 49 4.404 12.385 -5.359 1.00 0.00 O ATOM 806 CB ALA A 49 6.683 12.164 -7.877 1.00 0.00 C ATOM 0 H ALA A 49 7.021 9.768 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 49 6.854 12.113 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.348 13.201 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.762 12.126 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.189 11.599 -8.668 1.00 0.00 H new ATOM 812 N GLU A 50 4.043 10.966 -7.068 1.00 0.00 N ATOM 813 CA GLU A 50 2.593 10.992 -6.918 1.00 0.00 C ATOM 814 C GLU A 50 2.187 10.493 -5.536 1.00 0.00 C ATOM 815 O GLU A 50 1.187 10.936 -4.974 1.00 0.00 O ATOM 816 CB GLU A 50 1.921 10.151 -8.009 1.00 0.00 C ATOM 817 CG GLU A 50 2.094 8.652 -7.826 1.00 0.00 C ATOM 818 CD GLU A 50 1.883 7.882 -9.117 1.00 0.00 C ATOM 819 OE1 GLU A 50 2.457 8.288 -10.150 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.143 6.878 -9.095 1.00 0.00 O ATOM 0 H GLU A 50 4.380 10.371 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 50 2.258 12.024 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.856 10.384 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.329 10.438 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.095 8.449 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.388 8.297 -7.075 1.00 0.00 H new ATOM 827 N LEU A 51 2.979 9.576 -4.986 1.00 0.00 N ATOM 828 CA LEU A 51 2.704 9.031 -3.665 1.00 0.00 C ATOM 829 C LEU A 51 2.699 10.144 -2.625 1.00 0.00 C ATOM 830 O LEU A 51 1.743 10.293 -1.864 1.00 0.00 O ATOM 831 CB LEU A 51 3.747 7.974 -3.298 1.00 0.00 C ATOM 832 CG LEU A 51 3.628 7.404 -1.883 1.00 0.00 C ATOM 833 CD1 LEU A 51 2.184 7.037 -1.570 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.532 6.193 -1.722 1.00 0.00 C ATOM 0 H LEU A 51 3.813 9.198 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 51 1.720 8.561 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.674 7.152 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.739 8.410 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 51 3.946 8.171 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.122 6.634 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.558 7.926 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.837 6.288 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.436 5.799 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.243 5.425 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.567 6.485 -1.901 1.00 0.00 H new ATOM 846 N LEU A 52 3.769 10.936 -2.609 1.00 0.00 N ATOM 847 CA LEU A 52 3.891 12.046 -1.679 1.00 0.00 C ATOM 848 C LEU A 52 2.660 12.940 -1.728 1.00 0.00 C ATOM 849 O LEU A 52 2.111 13.323 -0.694 1.00 0.00 O ATOM 850 CB LEU A 52 5.125 12.832 -2.011 1.00 0.00 C ATOM 851 CG LEU A 52 6.400 12.082 -1.688 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.572 12.884 -2.146 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.488 11.790 -0.201 1.00 0.00 C ATOM 0 H LEU A 52 4.566 10.825 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 52 3.971 11.652 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.116 13.085 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.112 13.772 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 52 6.399 11.126 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.492 12.348 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.505 13.044 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.576 13.847 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.411 11.251 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.480 12.728 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.635 11.182 0.101 1.00 0.00 H new ATOM 865 N THR A 53 2.230 13.256 -2.942 1.00 0.00 N ATOM 866 CA THR A 53 1.056 14.094 -3.145 1.00 0.00 C ATOM 867 C THR A 53 -0.195 13.384 -2.641 1.00 0.00 C ATOM 868 O THR A 53 -1.139 14.021 -2.172 1.00 0.00 O ATOM 869 CB THR A 53 0.899 14.440 -4.627 1.00 0.00 C ATOM 870 OG1 THR A 53 2.142 14.822 -5.187 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.083 15.563 -4.880 1.00 0.00 C ATOM 0 H THR A 53 2.678 12.944 -3.803 1.00 0.00 H new ATOM 0 HA THR A 53 1.189 15.017 -2.580 1.00 0.00 H new ATOM 0 HB THR A 53 0.516 13.533 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.021 15.038 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.146 15.757 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.066 15.278 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.254 16.464 -4.367 1.00 0.00 H new ATOM 879 N LYS A 54 -0.189 12.057 -2.736 1.00 0.00 N ATOM 880 CA LYS A 54 -1.317 11.253 -2.285 1.00 0.00 C ATOM 881 C LYS A 54 -1.464 11.339 -0.768 1.00 0.00 C ATOM 882 O LYS A 54 -2.573 11.272 -0.237 1.00 0.00 O ATOM 883 CB LYS A 54 -1.133 9.795 -2.714 1.00 0.00 C ATOM 884 CG LYS A 54 -2.443 9.066 -2.963 1.00 0.00 C ATOM 885 CD LYS A 54 -2.243 7.846 -3.845 1.00 0.00 C ATOM 886 CE LYS A 54 -3.554 7.120 -4.099 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.320 7.733 -5.220 1.00 0.00 N ATOM 0 H LYS A 54 0.586 11.517 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.225 11.644 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.531 9.765 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.573 9.266 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.877 8.761 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.154 9.744 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.805 8.151 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.535 7.166 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.351 6.074 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.160 7.137 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.244 7.264 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.462 8.746 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.789 7.618 -6.107 1.00 0.00 H new ATOM 901 N LEU A 55 -0.338 11.493 -0.080 1.00 0.00 N ATOM 902 CA LEU A 55 -0.335 11.596 1.375 1.00 0.00 C ATOM 903 C LEU A 55 -1.056 12.861 1.830 1.00 0.00 C ATOM 904 O LEU A 55 -1.832 12.838 2.784 1.00 0.00 O ATOM 905 CB LEU A 55 1.102 11.598 1.899 1.00 0.00 C ATOM 906 CG LEU A 55 1.911 10.325 1.616 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.781 9.979 2.809 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.998 9.154 1.277 1.00 0.00 C ATOM 0 H LEU A 55 0.586 11.549 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.863 10.733 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.628 12.447 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.077 11.759 2.977 1.00 0.00 H new ATOM 0 HG LEU A 55 2.548 10.518 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.349 9.074 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.469 10.801 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.151 9.813 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.601 8.267 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.328 8.960 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.410 9.395 0.391 1.00 0.00 H new ATOM 920 N GLY A 56 -0.791 13.962 1.135 1.00 0.00 N ATOM 921 CA GLY A 56 -1.413 15.229 1.475 1.00 0.00 C ATOM 922 C GLY A 56 -0.655 16.408 0.898 1.00 0.00 C ATOM 923 O GLY A 56 -0.701 16.653 -0.308 1.00 0.00 O ATOM 0 H GLY A 56 -0.154 14.000 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.438 15.241 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.465 15.327 2.559 1.00 0.00 H new ATOM 927 N ARG A 57 0.049 17.135 1.758 1.00 0.00 N ATOM 928 CA ARG A 57 0.831 18.289 1.326 1.00 0.00 C ATOM 929 C ARG A 57 2.047 18.479 2.220 1.00 0.00 C ATOM 930 O ARG A 57 2.536 19.594 2.400 1.00 0.00 O ATOM 931 CB ARG A 57 -0.029 19.554 1.334 1.00 0.00 C ATOM 932 CG ARG A 57 -1.198 19.505 0.362 1.00 0.00 C ATOM 933 CD ARG A 57 -2.148 20.674 0.572 1.00 0.00 C ATOM 934 NE ARG A 57 -2.527 21.304 -0.690 1.00 0.00 N ATOM 935 CZ ARG A 57 -3.482 22.224 -0.802 1.00 0.00 C ATOM 936 NH1 ARG A 57 -4.158 22.624 0.269 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.763 22.748 -1.987 1.00 0.00 N ATOM 0 H ARG A 57 0.095 16.946 2.759 1.00 0.00 H new ATOM 0 HA ARG A 57 1.173 18.104 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.412 19.716 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.599 20.411 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.822 19.520 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.739 18.568 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.043 20.326 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.676 21.413 1.219 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.030 21.022 -1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.946 22.226 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.889 23.330 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.247 22.446 -2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.495 23.453 -2.072 1.00 0.00 H new ATOM 951 N ASP A 58 2.528 17.376 2.775 1.00 0.00 N ATOM 952 CA ASP A 58 3.690 17.393 3.652 1.00 0.00 C ATOM 953 C ASP A 58 4.794 16.494 3.092 1.00 0.00 C ATOM 954 O ASP A 58 4.937 16.361 1.877 1.00 0.00 O ATOM 955 CB ASP A 58 3.284 16.946 5.063 1.00 0.00 C ATOM 956 CG ASP A 58 1.981 17.574 5.520 1.00 0.00 C ATOM 957 OD1 ASP A 58 1.895 18.820 5.530 1.00 0.00 O ATOM 958 OD2 ASP A 58 1.048 16.819 5.868 1.00 0.00 O ATOM 0 H ASP A 58 2.127 16.449 2.631 1.00 0.00 H new ATOM 0 HA ASP A 58 4.079 18.410 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.187 15.861 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.075 17.208 5.765 1.00 0.00 H new ATOM 963 N THR A 59 5.565 15.875 3.980 1.00 0.00 N ATOM 964 CA THR A 59 6.644 14.985 3.572 1.00 0.00 C ATOM 965 C THR A 59 6.423 13.582 4.125 1.00 0.00 C ATOM 966 O THR A 59 5.546 13.369 4.962 1.00 0.00 O ATOM 967 CB THR A 59 7.992 15.529 4.050 1.00 0.00 C ATOM 968 OG1 THR A 59 9.042 14.645 3.700 1.00 0.00 O ATOM 969 CG2 THR A 59 8.052 15.743 5.548 1.00 0.00 C ATOM 0 H THR A 59 5.461 15.974 4.990 1.00 0.00 H new ATOM 0 HA THR A 59 6.649 14.933 2.483 1.00 0.00 H new ATOM 0 HB THR A 59 8.107 16.494 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.896 15.011 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.034 16.130 5.821 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.285 16.458 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.880 14.795 6.058 1.00 0.00 H new ATOM 977 N GLN A 60 7.225 12.630 3.663 1.00 0.00 N ATOM 978 CA GLN A 60 7.113 11.255 4.122 1.00 0.00 C ATOM 979 C GLN A 60 7.827 11.082 5.454 1.00 0.00 C ATOM 980 O GLN A 60 9.045 10.916 5.509 1.00 0.00 O ATOM 981 CB GLN A 60 7.697 10.292 3.090 1.00 0.00 C ATOM 982 CG GLN A 60 9.067 10.702 2.577 1.00 0.00 C ATOM 983 CD GLN A 60 9.986 9.516 2.355 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.065 9.434 2.941 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.560 8.589 1.505 1.00 0.00 N ATOM 0 H GLN A 60 7.958 12.787 2.972 1.00 0.00 H new ATOM 0 HA GLN A 60 6.056 11.025 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.767 9.298 3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.011 10.218 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.952 11.248 1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.528 11.386 3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.658 8.698 1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.135 7.768 1.316 1.00 0.00 H new ATOM 994 N ILE A 61 7.049 11.124 6.519 1.00 0.00 N ATOM 995 CA ILE A 61 7.578 10.977 7.871 1.00 0.00 C ATOM 996 C ILE A 61 7.821 9.512 8.211 1.00 0.00 C ATOM 997 O ILE A 61 6.974 8.857 8.817 1.00 0.00 O ATOM 998 CB ILE A 61 6.620 11.581 8.916 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.192 12.989 8.497 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.280 11.609 10.286 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.186 13.619 9.434 1.00 0.00 C ATOM 0 H ILE A 61 6.039 11.260 6.478 1.00 0.00 H new ATOM 0 HA ILE A 61 8.525 11.516 7.900 1.00 0.00 H new ATOM 0 HB ILE A 61 5.730 10.954 8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.074 13.627 8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.766 12.947 7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.591 12.038 11.013 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.538 10.593 10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.185 12.215 10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.929 14.615 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.287 13.003 9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.616 13.693 10.433 1.00 0.00 H new ATOM 1013 N GLY A 62 8.983 9.004 7.815 1.00 0.00 N ATOM 1014 CA GLY A 62 9.316 7.618 8.085 1.00 0.00 C ATOM 1015 C GLY A 62 8.276 6.657 7.546 1.00 0.00 C ATOM 1016 O GLY A 62 8.122 5.547 8.057 1.00 0.00 O ATOM 0 H GLY A 62 9.700 9.527 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.284 7.387 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.416 7.474 9.161 1.00 0.00 H new ATOM 1020 N LEU A 63 7.557 7.086 6.513 1.00 0.00 N ATOM 1021 CA LEU A 63 6.525 6.256 5.902 1.00 0.00 C ATOM 1022 C LEU A 63 7.109 4.934 5.416 1.00 0.00 C ATOM 1023 O LEU A 63 8.247 4.879 4.950 1.00 0.00 O ATOM 1024 CB LEU A 63 5.865 7.002 4.739 1.00 0.00 C ATOM 1025 CG LEU A 63 4.435 7.478 5.002 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.485 6.294 5.084 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.375 8.301 6.281 1.00 0.00 C ATOM 0 H LEU A 63 7.670 8.003 6.082 1.00 0.00 H new ATOM 0 HA LEU A 63 5.770 6.039 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.479 7.867 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.860 6.350 3.866 1.00 0.00 H new ATOM 0 HG LEU A 63 4.124 8.110 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.473 6.652 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.507 5.744 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.793 5.636 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.351 8.632 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.706 7.691 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.026 9.170 6.185 1.00 0.00 H new ATOM 1039 N THR A 64 6.323 3.869 5.532 1.00 0.00 N ATOM 1040 CA THR A 64 6.766 2.548 5.108 1.00 0.00 C ATOM 1041 C THR A 64 5.809 1.947 4.083 1.00 0.00 C ATOM 1042 O THR A 64 4.709 2.458 3.867 1.00 0.00 O ATOM 1043 CB THR A 64 6.887 1.618 6.316 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.635 1.467 6.961 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.879 2.105 7.350 1.00 0.00 C ATOM 0 H THR A 64 5.378 3.896 5.915 1.00 0.00 H new ATOM 0 HA THR A 64 7.744 2.657 4.639 1.00 0.00 H new ATOM 0 HB THR A 64 7.242 0.669 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.733 0.867 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.916 1.399 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.867 2.184 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.569 3.083 7.719 1.00 0.00 H new ATOM 1053 N MET A 65 6.237 0.858 3.457 1.00 0.00 N ATOM 1054 CA MET A 65 5.424 0.181 2.457 1.00 0.00 C ATOM 1055 C MET A 65 4.997 -1.195 2.949 1.00 0.00 C ATOM 1056 O MET A 65 5.645 -1.777 3.817 1.00 0.00 O ATOM 1057 CB MET A 65 6.198 0.054 1.145 1.00 0.00 C ATOM 1058 CG MET A 65 6.362 1.375 0.413 1.00 0.00 C ATOM 1059 SD MET A 65 7.544 2.469 1.221 1.00 0.00 S ATOM 1060 CE MET A 65 8.123 3.435 -0.172 1.00 0.00 C ATOM 0 H MET A 65 7.145 0.425 3.625 1.00 0.00 H new ATOM 0 HA MET A 65 4.528 0.777 2.284 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.183 -0.364 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.683 -0.652 0.494 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.690 1.182 -0.609 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.395 1.874 0.349 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.472 4.406 0.179 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.943 2.910 -0.663 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.307 3.577 -0.881 1.00 0.00 H new ATOM 1070 N PRO A 66 3.890 -1.731 2.408 1.00 0.00 N ATOM 1071 CA PRO A 66 3.090 -1.073 1.374 1.00 0.00 C ATOM 1072 C PRO A 66 2.138 -0.024 1.936 1.00 0.00 C ATOM 1073 O PRO A 66 1.520 -0.222 2.982 1.00 0.00 O ATOM 1074 CB PRO A 66 2.296 -2.227 0.740 1.00 0.00 C ATOM 1075 CG PRO A 66 2.760 -3.470 1.429 1.00 0.00 C ATOM 1076 CD PRO A 66 3.327 -3.035 2.747 1.00 0.00 C ATOM 0 HA PRO A 66 3.721 -0.530 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.224 -2.083 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.479 -2.284 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.934 -4.166 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.513 -3.987 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.561 -2.962 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.086 -3.726 3.115 1.00 0.00 H new ATOM 1084 N GLN A 67 2.013 1.085 1.215 1.00 0.00 N ATOM 1085 CA GLN A 67 1.124 2.164 1.618 1.00 0.00 C ATOM 1086 C GLN A 67 -0.212 2.037 0.897 1.00 0.00 C ATOM 1087 O GLN A 67 -0.261 1.994 -0.331 1.00 0.00 O ATOM 1088 CB GLN A 67 1.761 3.520 1.311 1.00 0.00 C ATOM 1089 CG GLN A 67 2.570 4.087 2.466 1.00 0.00 C ATOM 1090 CD GLN A 67 3.927 4.607 2.030 1.00 0.00 C ATOM 1091 OE1 GLN A 67 4.858 3.834 1.805 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.045 5.924 1.908 1.00 0.00 N ATOM 0 H GLN A 67 2.519 1.259 0.346 1.00 0.00 H new ATOM 0 HA GLN A 67 0.954 2.094 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.408 3.419 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.977 4.229 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.009 4.895 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.707 3.314 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.247 6.528 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.934 6.332 1.618 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.293 1.957 1.658 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.615 1.816 1.068 1.00 0.00 C ATOM 1103 C VAL A 68 -3.357 3.145 1.008 1.00 0.00 C ATOM 1104 O VAL A 68 -3.038 4.086 1.734 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.472 0.788 1.833 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.715 0.428 1.034 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.659 -0.461 2.153 1.00 0.00 C ATOM 0 H VAL A 68 -1.282 1.987 2.677 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.457 1.459 0.050 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.787 1.239 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.307 -0.299 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.310 1.325 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.420 -0.001 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.283 -1.173 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.309 -0.915 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.802 -0.189 2.769 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.354 3.207 0.130 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.155 4.409 -0.046 1.00 0.00 C ATOM 1119 C PHE A 69 -6.609 4.047 -0.319 1.00 0.00 C ATOM 1120 O PHE A 69 -6.897 3.013 -0.922 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.615 5.237 -1.208 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.282 5.851 -0.926 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.195 7.043 -0.235 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.119 5.237 -1.355 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -1.968 7.616 0.028 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.889 5.802 -1.097 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.812 6.995 -0.405 1.00 0.00 C ATOM 0 H PHE A 69 -4.626 2.431 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.099 4.993 0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.536 4.603 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.328 6.026 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.097 7.532 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.176 4.305 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.911 8.548 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.013 5.313 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.150 7.442 -0.203 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.520 4.903 0.122 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.943 4.665 -0.081 1.00 0.00 C ATOM 1139 C ALA A 70 -9.270 4.593 -1.570 1.00 0.00 C ATOM 1140 O ALA A 70 -8.653 5.282 -2.382 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.761 5.758 0.590 1.00 0.00 C ATOM 0 H ALA A 70 -7.301 5.765 0.621 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.201 3.708 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.822 5.568 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.550 5.765 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.497 6.725 0.161 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.256 3.762 -1.954 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.663 3.616 -3.354 1.00 0.00 C ATOM 1149 C PRO A 71 -11.276 4.898 -3.910 1.00 0.00 C ATOM 1150 O PRO A 71 -11.438 5.046 -5.121 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.696 2.482 -3.328 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.580 1.854 -1.979 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.057 2.916 -1.059 1.00 0.00 C ATOM 0 HA PRO A 71 -9.813 3.402 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.702 2.866 -3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.498 1.755 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.548 1.487 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.906 0.998 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.865 3.477 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.454 2.493 -0.256 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.604 5.829 -3.016 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.186 7.105 -3.414 1.00 0.00 C ATOM 1163 C ASP A 72 -11.128 8.207 -3.412 1.00 0.00 C ATOM 1164 O ASP A 72 -11.251 9.200 -4.130 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.335 7.477 -2.477 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.663 7.573 -3.202 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -15.121 6.544 -3.740 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.244 8.679 -3.234 1.00 0.00 O ATOM 0 H ASP A 72 -11.475 5.721 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.574 7.003 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.410 6.732 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.116 8.431 -1.998 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.089 8.026 -2.601 1.00 0.00 N ATOM 1174 CA GLY A 73 -9.027 9.011 -2.526 1.00 0.00 C ATOM 1175 C GLY A 73 -8.713 9.429 -1.102 1.00 0.00 C ATOM 1176 O GLY A 73 -9.334 10.348 -0.568 1.00 0.00 O ATOM 0 H GLY A 73 -9.965 7.215 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.127 8.604 -2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.312 9.890 -3.104 1.00 0.00 H new ATOM 1180 N SER A 74 -7.745 8.754 -0.484 1.00 0.00 N ATOM 1181 CA SER A 74 -7.345 9.064 0.888 1.00 0.00 C ATOM 1182 C SER A 74 -6.277 8.092 1.379 1.00 0.00 C ATOM 1183 O SER A 74 -6.167 6.970 0.886 1.00 0.00 O ATOM 1184 CB SER A 74 -8.556 9.017 1.824 1.00 0.00 C ATOM 1185 OG SER A 74 -9.188 10.283 1.905 1.00 0.00 O ATOM 0 H SER A 74 -7.223 7.989 -0.911 1.00 0.00 H new ATOM 0 HA SER A 74 -6.928 10.071 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.268 8.274 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.239 8.701 2.818 1.00 0.00 H new ATOM 0 HG SER A 74 -9.669 10.463 1.070 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.489 8.530 2.356 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.430 7.699 2.919 1.00 0.00 C ATOM 1193 C HIS A 75 -4.945 6.891 4.106 1.00 0.00 C ATOM 1194 O HIS A 75 -5.288 7.453 5.147 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.246 8.567 3.351 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.988 7.789 3.584 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.070 8.089 4.566 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.502 6.698 2.938 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.076 7.194 4.488 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.291 6.327 3.517 1.00 0.00 N ATOM 0 H HIS A 75 -5.564 9.457 2.775 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.099 7.004 2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.061 9.321 2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.510 9.098 4.266 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.135 8.857 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.978 6.198 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.788 7.184 5.135 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.993 5.573 3.947 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.464 4.691 5.011 1.00 0.00 C ATOM 1210 C ILE A 76 -4.298 4.166 5.841 1.00 0.00 C ATOM 1211 O ILE A 76 -4.324 4.219 7.071 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.253 3.493 4.446 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.386 3.976 3.542 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.801 2.635 5.579 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.871 2.920 2.574 1.00 0.00 C ATOM 0 H ILE A 76 -4.712 5.091 3.093 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.125 5.285 5.643 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.575 2.883 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.221 4.302 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.047 4.846 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.355 1.794 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.975 2.262 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.465 3.235 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.675 3.329 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.047 2.611 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.240 2.058 3.130 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.279 3.654 5.161 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.122 3.124 5.854 1.00 0.00 C ATOM 1229 C GLY A 77 -1.667 1.791 5.297 1.00 0.00 C ATOM 1230 O GLY A 77 -1.905 1.484 4.131 1.00 0.00 O ATOM 0 H GLY A 77 -3.234 3.597 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.303 3.840 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.358 3.010 6.912 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.002 1.005 6.134 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.512 -0.293 5.708 1.00 0.00 C ATOM 1236 C GLY A 78 -1.470 -1.420 6.047 1.00 0.00 C ATOM 1237 O GLY A 78 -2.688 -1.254 5.964 1.00 0.00 O ATOM 0 H GLY A 78 -0.792 1.244 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.342 -0.277 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.451 -0.486 6.180 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.920 -2.570 6.428 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.734 -3.731 6.778 1.00 0.00 C ATOM 1243 C PHE A 79 -2.519 -3.479 8.064 1.00 0.00 C ATOM 1244 O PHE A 79 -3.738 -3.317 8.034 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.848 -4.972 6.936 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.583 -6.183 7.441 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.746 -6.612 6.824 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.110 -6.889 8.536 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.426 -7.723 7.288 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.785 -8.001 9.006 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.945 -8.418 8.381 1.00 0.00 C ATOM 0 H PHE A 79 0.086 -2.723 6.502 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.446 -3.903 5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.395 -5.209 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.034 -4.740 7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.127 -6.072 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.204 -6.567 9.028 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.332 -8.047 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.406 -8.543 9.860 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.475 -9.286 8.746 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.811 -3.442 9.189 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.445 -3.205 10.481 1.00 0.00 C ATOM 1263 C ASP A 80 -3.177 -1.868 10.485 1.00 0.00 C ATOM 1264 O ASP A 80 -4.320 -1.771 10.938 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.402 -3.232 11.600 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.024 -3.071 12.974 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.660 -4.033 13.454 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.876 -1.983 13.569 1.00 0.00 O ATOM 0 H ASP A 80 -0.800 -3.573 9.232 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.170 -4.000 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.855 -4.174 11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.677 -2.435 11.437 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.511 -0.838 9.971 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.096 0.495 9.908 1.00 0.00 C ATOM 1275 C GLN A 81 -4.461 0.449 9.235 1.00 0.00 C ATOM 1276 O GLN A 81 -5.394 1.137 9.650 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.173 1.448 9.146 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.240 2.884 9.638 1.00 0.00 C ATOM 1279 CD GLN A 81 -0.976 3.665 9.335 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.029 3.135 8.752 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.955 4.934 9.726 1.00 0.00 N ATOM 0 H GLN A 81 -1.566 -0.902 9.592 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.219 0.861 10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.147 1.091 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.433 1.423 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.091 3.383 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.416 2.888 10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.762 5.333 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.132 5.510 9.546 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.575 -0.375 8.197 1.00 0.00 N ATOM 1291 CA LEU A 82 -5.830 -0.512 7.477 1.00 0.00 C ATOM 1292 C LEU A 82 -6.798 -1.419 8.221 1.00 0.00 C ATOM 1293 O LEU A 82 -8.007 -1.197 8.191 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.606 -1.036 6.069 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.873 -1.047 5.224 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.610 -0.511 3.832 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.449 -2.443 5.170 1.00 0.00 C ATOM 0 H LEU A 82 -3.815 -0.954 7.840 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.270 0.483 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.853 -0.422 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.205 -2.048 6.124 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.604 -0.388 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.534 -0.532 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.247 0.515 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.860 -1.130 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.355 -2.440 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.719 -3.121 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.690 -2.777 6.179 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.273 -2.429 8.911 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.123 -3.333 9.679 1.00 0.00 C ATOM 1311 C ARG A 83 -8.040 -2.516 10.578 1.00 0.00 C ATOM 1312 O ARG A 83 -9.164 -2.920 10.874 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.275 -4.293 10.516 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.095 -5.229 11.390 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.213 -6.236 12.110 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.763 -6.615 13.409 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.790 -5.808 14.468 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -6.302 -4.577 14.384 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -7.307 -6.233 15.612 1.00 0.00 N ATOM 0 H ARG A 83 -5.276 -2.640 8.954 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.724 -3.928 8.991 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.650 -4.887 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.604 -3.713 11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.656 -4.647 12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.824 -5.757 10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.099 -7.126 11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.218 -5.813 12.247 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.149 -7.553 13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.904 -4.245 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.325 -3.963 15.198 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.684 -7.178 15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.328 -5.615 16.423 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.557 -1.343 10.981 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.341 -0.444 11.812 1.00 0.00 C ATOM 1335 C GLU A 84 -9.478 0.136 10.984 1.00 0.00 C ATOM 1336 O GLU A 84 -10.588 0.335 11.479 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.466 0.678 12.373 1.00 0.00 C ATOM 1338 CG GLU A 84 -6.547 0.228 13.497 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.155 0.450 14.869 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.065 1.586 15.382 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.718 -0.512 15.431 1.00 0.00 O ATOM 0 H GLU A 84 -6.627 -0.997 10.744 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.750 -1.002 12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.863 1.095 11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.108 1.480 12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.317 -0.830 13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.604 0.770 13.429 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.198 0.376 9.703 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.197 0.896 8.785 1.00 0.00 C ATOM 1350 C TYR A 85 -11.327 -0.117 8.647 1.00 0.00 C ATOM 1351 O TYR A 85 -12.494 0.245 8.507 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.551 1.163 7.423 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.419 1.947 6.466 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.584 1.399 5.946 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.064 3.230 6.073 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.373 2.111 5.062 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.845 3.947 5.190 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.999 3.384 4.688 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.782 4.097 3.808 1.00 0.00 O ATOM 0 H TYR A 85 -8.283 0.216 9.282 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.603 1.832 9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.618 1.705 7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.293 0.209 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.878 0.401 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.161 3.675 6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.277 1.672 4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.554 4.944 4.894 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.379 4.976 3.649 1.00 0.00 H new ATOM 1369 N PHE A 86 -10.957 -1.396 8.707 1.00 0.00 N ATOM 1370 CA PHE A 86 -11.912 -2.494 8.599 1.00 0.00 C ATOM 1371 C PHE A 86 -12.489 -2.863 9.963 1.00 0.00 C ATOM 1372 O PHE A 86 -13.661 -2.611 10.239 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.225 -3.711 7.967 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.141 -3.645 6.466 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.195 -3.142 5.719 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.005 -4.073 5.803 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.114 -3.066 4.346 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.919 -3.999 4.426 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.976 -3.493 3.697 1.00 0.00 C ATOM 0 H PHE A 86 -9.991 -1.697 8.831 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.738 -2.171 7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.218 -3.802 8.375 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.767 -4.612 8.253 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.091 -2.806 6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.175 -4.470 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.943 -2.671 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.026 -4.337 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.911 -3.432 2.621 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.659 -3.460 10.813 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.089 -3.863 12.147 1.00 0.00 C ATOM 1391 C LYS A 87 -11.993 -2.698 13.127 1.00 0.00 C ATOM 1392 O LYS A 87 -12.962 -2.480 13.883 1.00 0.00 O ATOM 1393 CB LYS A 87 -11.242 -5.035 12.645 1.00 0.00 C ATOM 1394 CG LYS A 87 -11.595 -6.361 11.991 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.705 -7.076 12.745 1.00 0.00 C ATOM 1396 CE LYS A 87 -12.749 -8.556 12.399 1.00 0.00 C ATOM 1397 NZ LYS A 87 -13.094 -9.393 13.581 1.00 0.00 N ATOM 1398 OXT LYS A 87 -10.947 -2.014 13.130 1.00 0.00 O ATOM 0 H LYS A 87 -10.685 -3.675 10.601 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.131 -4.176 12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.190 -4.817 12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.364 -5.128 13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.906 -6.188 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.710 -6.997 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.553 -6.956 13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.664 -6.616 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.482 -8.723 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.781 -8.866 12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.114 -10.395 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.381 -9.254 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.029 -9.116 13.942 1.00 0.00 H new TER 1412 LYS A 87