USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -123:sc= 1.32 USER MOD Set 1.2: A 78 THR OG1 : rot 177:sc= 0.126 USER MOD Single : A 1 GLY N :NH3+ -146:sc= -1.5 (180deg=-4.16!) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.11) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.0982 (180deg=-0.0889) USER MOD Single : A 14 CYS SG : rot 163:sc= -1.09 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.583 K(o=0.58,f=-3.8!) USER MOD Single : A 19 THR OG1 : rot -39:sc= 0.995 USER MOD Single : A 28 THR OG1 : rot 17:sc= 0.511 USER MOD Single : A 31 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.9!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -117:sc= 1.88 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -41:sc= 0.595 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 THR OG1 : rot 39:sc= 0.36 USER MOD Single : A 52 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= 1.02 (180deg=-0.0827) USER MOD Single : A 63 THR OG1 : rot 90:sc= -0.169 USER MOD Single : A 65 MET CE :methyl -171:sc= 0 (180deg=-0.0899) USER MOD Single : A 70 ASN : amide:sc= -0.65 K(o=-0.65,f=-7.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 1.09 (180deg=0.329) USER MOD Single : A 74 TYR OH : rot 130:sc= 0.236 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 174:sc= -0.522 (180deg=-0.595) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 1.14 (180deg=0.914) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= -0.0654 (180deg=-0.932) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0.711 (180deg=0.628) USER MOD Single : A 102 THR OG1 : rot -40:sc= 0.755 USER MOD Single : A 103 ASN : amide:sc= -0.0113 K(o=-0.011,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.633 10.073 3.690 1.00 0.00 N ATOM 2 CA GLY A 1 -11.142 10.369 5.027 1.00 0.00 C ATOM 3 C GLY A 1 -10.467 11.715 4.873 1.00 0.00 C ATOM 4 O GLY A 1 -10.885 12.441 3.969 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.529 9.550 3.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.789 10.962 3.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.932 9.496 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.955 10.410 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.443 9.608 5.374 1.00 0.00 H new ATOM 10 N ASP A 2 -9.450 12.017 5.666 1.00 0.00 N ATOM 11 CA ASP A 2 -8.763 13.292 5.593 1.00 0.00 C ATOM 12 C ASP A 2 -7.581 13.112 4.631 1.00 0.00 C ATOM 13 O ASP A 2 -7.762 12.695 3.488 1.00 0.00 O ATOM 14 CB ASP A 2 -8.418 13.789 7.018 1.00 0.00 C ATOM 15 CG ASP A 2 -9.659 13.976 7.907 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.736 14.257 7.345 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.537 13.843 9.150 1.00 0.00 O ATOM 0 H ASP A 2 -9.080 11.385 6.376 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.379 14.093 5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.743 13.076 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.883 14.736 6.947 1.00 0.00 H new ATOM 22 N VAL A 3 -6.369 13.406 5.091 1.00 0.00 N ATOM 23 CA VAL A 3 -5.131 13.339 4.320 1.00 0.00 C ATOM 24 C VAL A 3 -3.970 13.214 5.308 1.00 0.00 C ATOM 25 O VAL A 3 -3.176 12.271 5.267 1.00 0.00 O ATOM 26 CB VAL A 3 -5.044 14.566 3.384 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.189 15.936 4.069 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.754 14.569 2.559 1.00 0.00 C ATOM 0 H VAL A 3 -6.216 13.711 6.052 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.093 12.467 3.666 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.915 14.442 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.113 16.726 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.159 15.995 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.398 16.058 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.736 15.449 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.894 14.591 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.713 13.670 1.945 1.00 0.00 H new ATOM 38 N GLU A 4 -3.952 14.139 6.266 1.00 0.00 N ATOM 39 CA GLU A 4 -3.056 14.137 7.406 1.00 0.00 C ATOM 40 C GLU A 4 -3.319 12.873 8.214 1.00 0.00 C ATOM 41 O GLU A 4 -2.397 12.105 8.473 1.00 0.00 O ATOM 42 CB GLU A 4 -3.303 15.397 8.244 1.00 0.00 C ATOM 43 CG GLU A 4 -2.633 16.631 7.616 1.00 0.00 C ATOM 44 CD GLU A 4 -1.232 16.860 8.179 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.130 16.976 9.417 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.280 16.876 7.370 1.00 0.00 O ATOM 0 H GLU A 4 -4.587 14.937 6.263 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.014 14.144 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.375 15.570 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.918 15.246 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.575 16.503 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.248 17.512 7.800 1.00 0.00 H new ATOM 53 N LYS A 5 -4.585 12.625 8.572 1.00 0.00 N ATOM 54 CA LYS A 5 -4.931 11.404 9.280 1.00 0.00 C ATOM 55 C LYS A 5 -4.460 10.182 8.517 1.00 0.00 C ATOM 56 O LYS A 5 -3.954 9.263 9.143 1.00 0.00 O ATOM 57 CB LYS A 5 -6.429 11.268 9.533 1.00 0.00 C ATOM 58 CG LYS A 5 -6.905 12.299 10.548 1.00 0.00 C ATOM 59 CD LYS A 5 -8.302 11.886 11.002 1.00 0.00 C ATOM 60 CE LYS A 5 -8.905 12.987 11.882 1.00 0.00 C ATOM 61 NZ LYS A 5 -10.332 13.155 11.574 1.00 0.00 N ATOM 0 H LYS A 5 -5.370 13.248 8.383 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.425 11.468 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.973 11.395 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.651 10.265 9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.223 12.343 11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.925 13.294 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.939 11.710 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.253 10.949 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.780 12.732 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.376 13.926 11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.758 13.817 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.437 13.533 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.812 12.235 11.639 1.00 0.00 H new ATOM 75 N GLY A 6 -4.593 10.166 7.190 1.00 0.00 N ATOM 76 CA GLY A 6 -4.095 9.032 6.431 1.00 0.00 C ATOM 77 C GLY A 6 -2.617 8.836 6.728 1.00 0.00 C ATOM 78 O GLY A 6 -2.219 7.762 7.170 1.00 0.00 O ATOM 0 H GLY A 6 -5.029 10.904 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.652 8.132 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.244 9.201 5.364 1.00 0.00 H new ATOM 82 N LYS A 7 -1.808 9.879 6.539 1.00 0.00 N ATOM 83 CA LYS A 7 -0.366 9.751 6.689 1.00 0.00 C ATOM 84 C LYS A 7 0.063 9.467 8.126 1.00 0.00 C ATOM 85 O LYS A 7 1.012 8.719 8.360 1.00 0.00 O ATOM 86 CB LYS A 7 0.366 10.863 5.935 1.00 0.00 C ATOM 87 CG LYS A 7 0.651 12.126 6.717 1.00 0.00 C ATOM 88 CD LYS A 7 0.812 13.266 5.694 1.00 0.00 C ATOM 89 CE LYS A 7 1.162 14.622 6.315 1.00 0.00 C ATOM 90 NZ LYS A 7 2.604 14.937 6.266 1.00 0.00 N ATOM 0 H LYS A 7 -2.128 10.813 6.284 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.032 8.842 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.313 10.464 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.225 11.129 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.163 12.342 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.556 12.013 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.591 12.993 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.115 13.366 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.609 15.404 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.831 14.634 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.771 15.866 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.136 14.210 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.922 14.957 5.276 1.00 0.00 H new ATOM 104 N LYS A 8 -0.677 10.007 9.091 1.00 0.00 N ATOM 105 CA LYS A 8 -0.369 9.839 10.497 1.00 0.00 C ATOM 106 C LYS A 8 -0.665 8.399 10.907 1.00 0.00 C ATOM 107 O LYS A 8 0.169 7.728 11.514 1.00 0.00 O ATOM 108 CB LYS A 8 -1.160 10.858 11.337 1.00 0.00 C ATOM 109 CG LYS A 8 -0.375 11.432 12.526 1.00 0.00 C ATOM 110 CD LYS A 8 0.635 12.529 12.127 1.00 0.00 C ATOM 111 CE LYS A 8 2.091 12.035 12.061 1.00 0.00 C ATOM 112 NZ LYS A 8 3.046 13.142 11.841 1.00 0.00 N ATOM 0 H LYS A 8 -1.507 10.573 8.913 1.00 0.00 H new ATOM 0 HA LYS A 8 0.689 10.029 10.676 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.474 11.679 10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.066 10.381 11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.078 11.843 13.250 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.158 10.622 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.353 12.933 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.571 13.348 12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.341 11.521 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.190 11.307 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.014 12.763 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.825 13.618 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.972 13.825 12.622 1.00 0.00 H new ATOM 126 N ILE A 9 -1.862 7.923 10.564 1.00 0.00 N ATOM 127 CA ILE A 9 -2.339 6.615 10.956 1.00 0.00 C ATOM 128 C ILE A 9 -1.492 5.575 10.235 1.00 0.00 C ATOM 129 O ILE A 9 -1.030 4.608 10.840 1.00 0.00 O ATOM 130 CB ILE A 9 -3.825 6.532 10.588 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.647 7.408 11.555 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.322 5.090 10.644 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.131 7.479 11.187 1.00 0.00 C ATOM 0 H ILE A 9 -2.529 8.449 9.999 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.248 6.433 12.027 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.950 6.896 9.568 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.548 7.014 12.566 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.232 8.416 11.564 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.379 5.059 10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.753 4.482 9.941 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.189 4.698 11.653 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.654 8.110 11.905 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.238 7.901 10.188 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.559 6.477 11.205 1.00 0.00 H new ATOM 145 N PHE A 10 -1.290 5.794 8.937 1.00 0.00 N ATOM 146 CA PHE A 10 -0.391 5.006 8.124 1.00 0.00 C ATOM 147 C PHE A 10 0.931 4.828 8.852 1.00 0.00 C ATOM 148 O PHE A 10 1.279 3.718 9.231 1.00 0.00 O ATOM 149 CB PHE A 10 -0.195 5.726 6.782 1.00 0.00 C ATOM 150 CG PHE A 10 0.953 5.234 5.938 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.785 4.122 5.115 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.234 5.771 6.117 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.903 3.497 4.548 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.359 5.134 5.591 1.00 0.00 C ATOM 155 CZ PHE A 10 3.189 3.998 4.786 1.00 0.00 C ATOM 0 H PHE A 10 -1.758 6.538 8.420 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.806 4.015 7.939 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.114 5.633 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.048 6.788 6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.206 3.743 4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.353 6.691 6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.773 2.625 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.349 5.511 5.801 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.049 3.510 4.350 1.00 0.00 H new ATOM 165 N VAL A 11 1.659 5.915 9.094 1.00 0.00 N ATOM 166 CA VAL A 11 2.948 5.820 9.740 1.00 0.00 C ATOM 167 C VAL A 11 2.814 5.063 11.069 1.00 0.00 C ATOM 168 O VAL A 11 3.679 4.255 11.399 1.00 0.00 O ATOM 169 CB VAL A 11 3.587 7.218 9.862 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.609 7.266 10.995 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.271 7.692 8.570 1.00 0.00 C ATOM 0 H VAL A 11 1.373 6.863 8.851 1.00 0.00 H new ATOM 0 HA VAL A 11 3.638 5.235 9.132 1.00 0.00 H new ATOM 0 HB VAL A 11 2.756 7.891 10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.041 8.265 11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.118 7.027 11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.399 6.540 10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.699 8.682 8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.063 6.993 8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.537 7.737 7.765 1.00 0.00 H new ATOM 181 N GLN A 12 1.721 5.284 11.810 1.00 0.00 N ATOM 182 CA GLN A 12 1.466 4.575 13.055 1.00 0.00 C ATOM 183 C GLN A 12 1.534 3.049 12.882 1.00 0.00 C ATOM 184 O GLN A 12 2.097 2.387 13.751 1.00 0.00 O ATOM 185 CB GLN A 12 0.129 5.023 13.678 1.00 0.00 C ATOM 186 CG GLN A 12 0.179 5.104 15.216 1.00 0.00 C ATOM 187 CD GLN A 12 -0.858 4.214 15.892 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.516 3.280 16.606 1.00 0.00 O ATOM 189 NE2 GLN A 12 -2.141 4.499 15.690 1.00 0.00 N ATOM 0 H GLN A 12 0.997 5.957 11.559 1.00 0.00 H new ATOM 0 HA GLN A 12 2.264 4.840 13.749 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.143 5.999 13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.655 4.326 13.382 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.174 4.818 15.558 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.021 6.137 15.526 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.401 5.282 15.091 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.865 3.934 16.134 1.00 0.00 H new ATOM 198 N LYS A 13 0.951 2.482 11.810 1.00 0.00 N ATOM 199 CA LYS A 13 0.851 1.021 11.671 1.00 0.00 C ATOM 200 C LYS A 13 1.202 0.419 10.305 1.00 0.00 C ATOM 201 O LYS A 13 0.853 -0.731 10.034 1.00 0.00 O ATOM 202 CB LYS A 13 -0.544 0.601 12.110 1.00 0.00 C ATOM 203 CG LYS A 13 -1.641 1.145 11.186 1.00 0.00 C ATOM 204 CD LYS A 13 -2.691 1.919 11.993 1.00 0.00 C ATOM 205 CE LYS A 13 -4.094 1.514 11.529 1.00 0.00 C ATOM 206 NZ LYS A 13 -5.172 2.040 12.389 1.00 0.00 N ATOM 0 H LYS A 13 0.546 3.008 11.036 1.00 0.00 H new ATOM 0 HA LYS A 13 1.633 0.612 12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.601 -0.487 12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.722 0.952 13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.199 1.798 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.118 0.322 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.574 1.710 13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.548 2.992 11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.248 1.868 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.159 0.426 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.095 1.758 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.069 1.655 13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.113 3.078 12.423 1.00 0.00 H new ATOM 220 N CYS A 14 1.896 1.166 9.454 1.00 0.00 N ATOM 221 CA CYS A 14 2.325 0.724 8.133 1.00 0.00 C ATOM 222 C CYS A 14 3.833 0.950 8.016 1.00 0.00 C ATOM 223 O CYS A 14 4.547 0.064 7.565 1.00 0.00 O ATOM 224 CB CYS A 14 1.616 1.475 7.034 1.00 0.00 C ATOM 225 SG CYS A 14 -0.202 1.556 7.126 1.00 0.00 S ATOM 0 H CYS A 14 2.183 2.121 9.670 1.00 0.00 H new ATOM 0 HA CYS A 14 2.078 -0.332 8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.000 2.495 7.019 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.887 1.018 6.082 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.634 2.503 6.347 1.00 0.00 H new ATOM 230 N ALA A 15 4.327 2.126 8.429 1.00 0.00 N ATOM 231 CA ALA A 15 5.725 2.536 8.251 1.00 0.00 C ATOM 232 C ALA A 15 6.757 1.564 8.800 1.00 0.00 C ATOM 233 O ALA A 15 7.858 1.499 8.255 1.00 0.00 O ATOM 234 CB ALA A 15 5.974 3.902 8.857 1.00 0.00 C ATOM 0 H ALA A 15 3.758 2.828 8.902 1.00 0.00 H new ATOM 0 HA ALA A 15 5.859 2.557 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.018 4.180 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.331 4.637 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.753 3.873 9.924 1.00 0.00 H new ATOM 240 N GLN A 16 6.416 0.835 9.867 1.00 0.00 N ATOM 241 CA GLN A 16 7.212 -0.266 10.378 1.00 0.00 C ATOM 242 C GLN A 16 7.739 -1.138 9.234 1.00 0.00 C ATOM 243 O GLN A 16 8.894 -1.554 9.243 1.00 0.00 O ATOM 244 CB GLN A 16 6.340 -1.100 11.329 1.00 0.00 C ATOM 245 CG GLN A 16 7.233 -1.718 12.399 1.00 0.00 C ATOM 246 CD GLN A 16 6.526 -2.832 13.161 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.080 -2.644 14.286 1.00 0.00 O ATOM 248 NE2 GLN A 16 6.423 -4.011 12.553 1.00 0.00 N ATOM 0 H GLN A 16 5.564 1.002 10.403 1.00 0.00 H new ATOM 0 HA GLN A 16 8.075 0.129 10.914 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.577 -0.472 11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.818 -1.881 10.776 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.135 -2.114 11.933 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.549 -0.944 13.099 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.805 -4.136 11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.962 -4.789 13.024 1.00 0.00 H new ATOM 257 N CYS A 17 6.859 -1.408 8.266 1.00 0.00 N ATOM 258 CA CYS A 17 7.135 -2.171 7.066 1.00 0.00 C ATOM 259 C CYS A 17 7.422 -1.239 5.873 1.00 0.00 C ATOM 260 O CYS A 17 8.240 -1.583 5.025 1.00 0.00 O ATOM 261 CB CYS A 17 5.977 -3.104 6.798 1.00 0.00 C ATOM 262 SG CYS A 17 5.765 -4.333 8.134 1.00 0.00 S ATOM 0 H CYS A 17 5.894 -1.082 8.308 1.00 0.00 H new ATOM 0 HA CYS A 17 8.034 -2.771 7.210 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.061 -2.523 6.691 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.139 -3.621 5.852 1.00 0.00 H new ATOM 0 HG CYS A 17 4.758 -5.107 7.856 1.00 0.00 H new ATOM 267 N HIS A 18 6.775 -0.065 5.788 1.00 0.00 N ATOM 268 CA HIS A 18 6.760 0.790 4.600 1.00 0.00 C ATOM 269 C HIS A 18 7.141 2.227 4.929 1.00 0.00 C ATOM 270 O HIS A 18 6.277 3.099 4.947 1.00 0.00 O ATOM 271 CB HIS A 18 5.344 0.830 4.025 1.00 0.00 C ATOM 272 CG HIS A 18 4.875 -0.471 3.478 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.170 -0.948 2.225 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.835 -1.193 3.988 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.323 -1.958 1.996 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.502 -2.163 3.036 1.00 0.00 N ATOM 0 H HIS A 18 6.237 0.321 6.564 1.00 0.00 H new ATOM 0 HA HIS A 18 7.480 0.373 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.655 1.154 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.305 1.580 3.235 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.892 -0.601 1.594 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.359 -1.044 4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.303 -2.537 1.085 1.00 0.00 H new ATOM 284 N THR A 19 8.408 2.531 5.169 1.00 0.00 N ATOM 285 CA THR A 19 8.790 3.877 5.574 1.00 0.00 C ATOM 286 C THR A 19 8.843 4.859 4.377 1.00 0.00 C ATOM 287 O THR A 19 9.882 5.468 4.109 1.00 0.00 O ATOM 288 CB THR A 19 10.115 3.756 6.332 1.00 0.00 C ATOM 289 OG1 THR A 19 10.160 2.559 7.089 1.00 0.00 O ATOM 290 CG2 THR A 19 10.387 4.954 7.245 1.00 0.00 C ATOM 0 H THR A 19 9.183 1.872 5.092 1.00 0.00 H new ATOM 0 HA THR A 19 8.037 4.313 6.231 1.00 0.00 H new ATOM 0 HB THR A 19 10.898 3.736 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.279 2.388 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.339 4.813 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.427 5.865 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.588 5.038 7.982 1.00 0.00 H new ATOM 298 N VAL A 20 7.723 5.044 3.663 1.00 0.00 N ATOM 299 CA VAL A 20 7.549 5.982 2.568 1.00 0.00 C ATOM 300 C VAL A 20 7.482 7.410 3.122 1.00 0.00 C ATOM 301 O VAL A 20 6.427 8.041 3.153 1.00 0.00 O ATOM 302 CB VAL A 20 6.332 5.573 1.717 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.986 5.664 2.443 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.275 6.412 0.441 1.00 0.00 C ATOM 0 H VAL A 20 6.875 4.510 3.852 1.00 0.00 H new ATOM 0 HA VAL A 20 8.405 5.958 1.893 1.00 0.00 H new ATOM 0 HB VAL A 20 6.484 4.519 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.187 5.358 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.997 5.008 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.815 6.691 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.411 6.114 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.189 7.467 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.185 6.255 -0.139 1.00 0.00 H new ATOM 426 N THR A 28 10.077 -6.825 3.417 1.00 0.00 N ATOM 427 CA THR A 28 8.765 -7.079 3.986 1.00 0.00 C ATOM 428 C THR A 28 7.848 -5.864 3.807 1.00 0.00 C ATOM 429 O THR A 28 6.941 -5.673 4.603 1.00 0.00 O ATOM 430 CB THR A 28 8.901 -7.516 5.459 1.00 0.00 C ATOM 431 OG1 THR A 28 10.060 -8.320 5.610 1.00 0.00 O ATOM 432 CG2 THR A 28 7.709 -8.357 5.935 1.00 0.00 C ATOM 0 HA THR A 28 8.292 -7.902 3.449 1.00 0.00 H new ATOM 0 HB THR A 28 8.954 -6.602 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.650 -8.192 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.855 -8.638 6.978 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.792 -7.775 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.631 -9.257 5.324 1.00 0.00 H new ATOM 440 N GLY A 29 8.055 -5.065 2.757 1.00 0.00 N ATOM 441 CA GLY A 29 7.260 -3.868 2.530 1.00 0.00 C ATOM 442 C GLY A 29 8.092 -2.878 1.723 1.00 0.00 C ATOM 443 O GLY A 29 9.029 -2.295 2.260 1.00 0.00 O ATOM 0 H GLY A 29 8.772 -5.232 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.344 -4.118 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.962 -3.426 3.481 1.00 0.00 H new ATOM 447 N PRO A 30 7.834 -2.713 0.419 1.00 0.00 N ATOM 448 CA PRO A 30 8.601 -1.782 -0.383 1.00 0.00 C ATOM 449 C PRO A 30 8.193 -0.356 -0.030 1.00 0.00 C ATOM 450 O PRO A 30 7.042 -0.096 0.327 1.00 0.00 O ATOM 451 CB PRO A 30 8.275 -2.118 -1.839 1.00 0.00 C ATOM 452 CG PRO A 30 6.885 -2.749 -1.762 1.00 0.00 C ATOM 453 CD PRO A 30 6.851 -3.414 -0.386 1.00 0.00 C ATOM 0 HA PRO A 30 9.674 -1.859 -0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.276 -1.226 -2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.005 -2.807 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.101 -1.998 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.733 -3.476 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.858 -3.341 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.091 -4.475 -0.459 1.00 0.00 H new ATOM 461 N ASN A 31 9.134 0.578 -0.163 1.00 0.00 N ATOM 462 CA ASN A 31 8.819 1.993 -0.244 1.00 0.00 C ATOM 463 C ASN A 31 7.787 2.245 -1.341 1.00 0.00 C ATOM 464 O ASN A 31 8.114 2.314 -2.522 1.00 0.00 O ATOM 465 CB ASN A 31 10.076 2.836 -0.462 1.00 0.00 C ATOM 466 CG ASN A 31 10.817 2.559 -1.770 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.019 1.410 -2.142 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.271 3.607 -2.454 1.00 0.00 N ATOM 0 H ASN A 31 10.131 0.370 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 31 8.389 2.299 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.799 3.890 -0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.760 2.665 0.369 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.803 3.464 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.087 4.553 -2.119 1.00 0.00 H new ATOM 475 N LEU A 32 6.535 2.391 -0.913 1.00 0.00 N ATOM 476 CA LEU A 32 5.372 2.611 -1.755 1.00 0.00 C ATOM 477 C LEU A 32 5.670 3.646 -2.847 1.00 0.00 C ATOM 478 O LEU A 32 5.413 3.391 -4.021 1.00 0.00 O ATOM 479 CB LEU A 32 4.196 3.027 -0.859 1.00 0.00 C ATOM 480 CG LEU A 32 3.820 1.996 0.224 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.615 2.497 1.024 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.510 0.616 -0.361 1.00 0.00 C ATOM 0 H LEU A 32 6.298 2.357 0.078 1.00 0.00 H new ATOM 0 HA LEU A 32 5.107 1.692 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.442 3.971 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.324 3.209 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 32 4.686 1.886 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.355 1.764 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.864 3.445 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.767 2.640 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.251 -0.071 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.672 0.694 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.385 0.241 -0.891 1.00 0.00 H new ATOM 494 N HIS A 33 6.258 4.783 -2.453 1.00 0.00 N ATOM 495 CA HIS A 33 6.871 5.796 -3.311 1.00 0.00 C ATOM 496 C HIS A 33 5.915 6.379 -4.357 1.00 0.00 C ATOM 497 O HIS A 33 5.472 7.512 -4.224 1.00 0.00 O ATOM 498 CB HIS A 33 8.158 5.243 -3.942 1.00 0.00 C ATOM 499 CG HIS A 33 8.796 6.180 -4.937 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.718 6.064 -6.307 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.495 7.323 -4.657 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.371 7.111 -6.839 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.869 7.900 -5.874 1.00 0.00 N ATOM 0 H HIS A 33 6.320 5.032 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 33 7.129 6.642 -2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.875 5.024 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.932 4.299 -4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.717 7.709 -3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.480 7.293 -7.898 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.413 8.753 -6.003 1.00 0.00 H new ATOM 511 N GLY A 34 5.633 5.618 -5.413 1.00 0.00 N ATOM 512 CA GLY A 34 4.723 5.961 -6.484 1.00 0.00 C ATOM 513 C GLY A 34 3.864 4.728 -6.713 1.00 0.00 C ATOM 514 O GLY A 34 4.400 3.702 -7.127 1.00 0.00 O ATOM 0 H GLY A 34 6.059 4.700 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.109 6.820 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.268 6.230 -7.388 1.00 0.00 H new ATOM 518 N LEU A 35 2.566 4.816 -6.414 1.00 0.00 N ATOM 519 CA LEU A 35 1.632 3.700 -6.524 1.00 0.00 C ATOM 520 C LEU A 35 0.624 3.980 -7.632 1.00 0.00 C ATOM 521 O LEU A 35 0.463 3.181 -8.551 1.00 0.00 O ATOM 522 CB LEU A 35 0.891 3.484 -5.199 1.00 0.00 C ATOM 523 CG LEU A 35 1.751 2.908 -4.064 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.862 2.855 -2.818 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.267 1.493 -4.367 1.00 0.00 C ATOM 0 H LEU A 35 2.131 5.678 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 35 2.196 2.798 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.475 4.437 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.050 2.813 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 35 2.628 3.541 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.432 2.451 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.520 3.860 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.000 2.216 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.868 1.138 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.421 0.822 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.878 1.514 -5.269 1.00 0.00 H new ATOM 537 N PHE A 36 -0.054 5.124 -7.551 1.00 0.00 N ATOM 538 CA PHE A 36 -1.143 5.456 -8.452 1.00 0.00 C ATOM 539 C PHE A 36 -0.549 5.732 -9.826 1.00 0.00 C ATOM 540 O PHE A 36 0.061 6.779 -10.030 1.00 0.00 O ATOM 541 CB PHE A 36 -1.949 6.632 -7.891 1.00 0.00 C ATOM 542 CG PHE A 36 -2.657 6.304 -6.585 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.949 6.289 -5.370 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.984 5.840 -6.606 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.550 5.821 -4.191 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.567 5.340 -5.431 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.875 5.366 -4.217 1.00 0.00 C ATOM 0 H PHE A 36 0.141 5.844 -6.856 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.848 4.630 -8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.281 7.479 -7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.688 6.943 -8.629 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.929 6.642 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.553 5.868 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.992 5.812 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.565 4.929 -5.466 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.357 5.039 -3.308 1.00 0.00 H new ATOM 557 N GLY A 37 -0.688 4.772 -10.748 1.00 0.00 N ATOM 558 CA GLY A 37 -0.054 4.842 -12.064 1.00 0.00 C ATOM 559 C GLY A 37 1.165 3.920 -12.192 1.00 0.00 C ATOM 560 O GLY A 37 1.712 3.765 -13.283 1.00 0.00 O ATOM 0 H GLY A 37 -1.242 3.928 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.785 4.577 -12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.253 5.870 -12.259 1.00 0.00 H new ATOM 564 N ARG A 38 1.613 3.291 -11.101 1.00 0.00 N ATOM 565 CA ARG A 38 2.743 2.383 -11.126 1.00 0.00 C ATOM 566 C ARG A 38 2.264 1.030 -11.635 1.00 0.00 C ATOM 567 O ARG A 38 1.688 0.250 -10.876 1.00 0.00 O ATOM 568 CB ARG A 38 3.348 2.266 -9.724 1.00 0.00 C ATOM 569 CG ARG A 38 4.562 1.327 -9.611 1.00 0.00 C ATOM 570 CD ARG A 38 5.921 2.013 -9.807 1.00 0.00 C ATOM 571 NE ARG A 38 6.134 2.484 -11.184 1.00 0.00 N ATOM 572 CZ ARG A 38 7.230 3.139 -11.601 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.248 3.335 -10.757 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.305 3.590 -12.859 1.00 0.00 N ATOM 0 H ARG A 38 1.195 3.404 -10.178 1.00 0.00 H new ATOM 0 HA ARG A 38 3.520 2.759 -11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.645 3.260 -9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.574 1.918 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.548 0.852 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.461 0.533 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.997 2.859 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.715 1.316 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 38 5.400 2.301 -11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.191 2.988 -9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.082 3.832 -11.070 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.529 3.437 -13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.138 4.087 -13.174 1.00 0.00 H new ATOM 588 N LYS A 39 2.538 0.765 -12.917 1.00 0.00 N ATOM 589 CA LYS A 39 2.351 -0.537 -13.545 1.00 0.00 C ATOM 590 C LYS A 39 2.888 -1.628 -12.615 1.00 0.00 C ATOM 591 O LYS A 39 4.099 -1.792 -12.467 1.00 0.00 O ATOM 592 CB LYS A 39 2.970 -0.541 -14.955 1.00 0.00 C ATOM 593 CG LYS A 39 4.506 -0.484 -15.014 1.00 0.00 C ATOM 594 CD LYS A 39 4.955 0.079 -16.372 1.00 0.00 C ATOM 595 CE LYS A 39 6.427 -0.252 -16.668 1.00 0.00 C ATOM 596 NZ LYS A 39 6.894 0.368 -17.928 1.00 0.00 N ATOM 0 H LYS A 39 2.904 1.470 -13.557 1.00 0.00 H new ATOM 0 HA LYS A 39 1.292 -0.751 -13.692 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.639 -1.441 -15.474 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.573 0.310 -15.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.887 0.142 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.922 -1.481 -14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.325 -0.330 -17.162 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.816 1.160 -16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.049 0.093 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.550 -1.333 -16.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.891 0.119 -18.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.318 0.020 -18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.802 1.402 -17.861 1.00 0.00 H new ATOM 610 N THR A 40 1.982 -2.296 -11.907 1.00 0.00 N ATOM 611 CA THR A 40 2.297 -3.231 -10.861 1.00 0.00 C ATOM 612 C THR A 40 2.873 -4.494 -11.496 1.00 0.00 C ATOM 613 O THR A 40 2.873 -4.660 -12.715 1.00 0.00 O ATOM 614 CB THR A 40 0.976 -3.465 -10.138 1.00 0.00 C ATOM 615 OG1 THR A 40 0.388 -2.204 -9.832 1.00 0.00 O ATOM 616 CG2 THR A 40 1.103 -4.332 -8.895 1.00 0.00 C ATOM 0 H THR A 40 0.979 -2.189 -12.060 1.00 0.00 H new ATOM 0 HA THR A 40 3.047 -2.881 -10.152 1.00 0.00 H new ATOM 0 HB THR A 40 0.329 -4.029 -10.809 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.319 -2.103 -8.860 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.123 -4.454 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.498 -5.309 -9.172 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.780 -3.855 -8.186 1.00 0.00 H new ATOM 624 N GLY A 41 3.355 -5.406 -10.661 1.00 0.00 N ATOM 625 CA GLY A 41 3.814 -6.690 -11.138 1.00 0.00 C ATOM 626 C GLY A 41 5.178 -6.613 -11.833 1.00 0.00 C ATOM 627 O GLY A 41 5.494 -7.484 -12.641 1.00 0.00 O ATOM 0 H GLY A 41 3.435 -5.274 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.878 -7.383 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.080 -7.098 -11.833 1.00 0.00 H new ATOM 631 N GLN A 42 6.002 -5.598 -11.533 1.00 0.00 N ATOM 632 CA GLN A 42 7.328 -5.473 -12.134 1.00 0.00 C ATOM 633 C GLN A 42 8.181 -4.438 -11.382 1.00 0.00 C ATOM 634 O GLN A 42 8.325 -3.305 -11.839 1.00 0.00 O ATOM 635 CB GLN A 42 7.188 -5.136 -13.637 1.00 0.00 C ATOM 636 CG GLN A 42 8.379 -5.646 -14.465 1.00 0.00 C ATOM 637 CD GLN A 42 7.917 -6.546 -15.609 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.180 -7.743 -15.615 1.00 0.00 O ATOM 639 NE2 GLN A 42 7.212 -5.975 -16.583 1.00 0.00 N ATOM 0 H GLN A 42 5.768 -4.853 -10.876 1.00 0.00 H new ATOM 0 HA GLN A 42 7.852 -6.425 -12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.267 -5.575 -14.021 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.101 -4.056 -13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.934 -4.799 -14.868 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.063 -6.197 -13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.010 -4.976 -16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.874 -6.537 -17.364 1.00 0.00 H new ATOM 648 N ALA A 43 8.752 -4.808 -10.229 1.00 0.00 N ATOM 649 CA ALA A 43 9.622 -3.906 -9.471 1.00 0.00 C ATOM 650 C ALA A 43 11.082 -4.064 -9.920 1.00 0.00 C ATOM 651 O ALA A 43 11.429 -5.104 -10.479 1.00 0.00 O ATOM 652 CB ALA A 43 9.497 -4.222 -7.985 1.00 0.00 C ATOM 0 H ALA A 43 8.626 -5.726 -9.802 1.00 0.00 H new ATOM 0 HA ALA A 43 9.316 -2.876 -9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.143 -3.554 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.463 -4.084 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.796 -5.255 -7.806 1.00 0.00 H new ATOM 658 N PRO A 44 11.957 -3.075 -9.662 1.00 0.00 N ATOM 659 CA PRO A 44 13.356 -3.140 -10.066 1.00 0.00 C ATOM 660 C PRO A 44 14.164 -4.161 -9.267 1.00 0.00 C ATOM 661 O PRO A 44 15.036 -4.825 -9.821 1.00 0.00 O ATOM 662 CB PRO A 44 13.902 -1.718 -9.903 1.00 0.00 C ATOM 663 CG PRO A 44 13.011 -1.112 -8.819 1.00 0.00 C ATOM 664 CD PRO A 44 11.656 -1.776 -9.078 1.00 0.00 C ATOM 0 HA PRO A 44 13.441 -3.486 -11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.950 -1.723 -9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.839 -1.155 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.384 -1.333 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.952 -0.027 -8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.090 -1.885 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.048 -1.174 -9.754 1.00 0.00 H new ATOM 672 N GLY A 45 13.898 -4.249 -7.964 1.00 0.00 N ATOM 673 CA GLY A 45 14.646 -5.092 -7.038 1.00 0.00 C ATOM 674 C GLY A 45 13.709 -5.974 -6.221 1.00 0.00 C ATOM 675 O GLY A 45 13.541 -7.158 -6.506 1.00 0.00 O ATOM 0 H GLY A 45 13.144 -3.727 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.346 -5.716 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.238 -4.467 -6.369 1.00 0.00 H new ATOM 679 N PHE A 46 13.082 -5.395 -5.194 1.00 0.00 N ATOM 680 CA PHE A 46 12.099 -6.105 -4.391 1.00 0.00 C ATOM 681 C PHE A 46 10.835 -6.183 -5.244 1.00 0.00 C ATOM 682 O PHE A 46 10.079 -5.219 -5.281 1.00 0.00 O ATOM 683 CB PHE A 46 11.876 -5.363 -3.057 1.00 0.00 C ATOM 684 CG PHE A 46 10.784 -5.933 -2.161 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.446 -5.589 -2.409 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.076 -6.796 -1.084 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.406 -6.246 -1.743 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.025 -7.399 -0.363 1.00 0.00 C ATOM 689 CZ PHE A 46 8.691 -7.148 -0.713 1.00 0.00 C ATOM 0 H PHE A 46 13.243 -4.431 -4.903 1.00 0.00 H new ATOM 0 HA PHE A 46 12.424 -7.110 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.814 -5.362 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.635 -4.323 -3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.217 -4.810 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.102 -6.994 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.381 -6.056 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.249 -8.058 0.463 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.889 -7.648 -0.191 1.00 0.00 H new ATOM 699 N THR A 47 10.625 -7.293 -5.959 1.00 0.00 N ATOM 700 CA THR A 47 9.395 -7.522 -6.715 1.00 0.00 C ATOM 701 C THR A 47 8.486 -8.535 -6.023 1.00 0.00 C ATOM 702 O THR A 47 7.664 -9.160 -6.687 1.00 0.00 O ATOM 703 CB THR A 47 9.672 -7.808 -8.202 1.00 0.00 C ATOM 704 OG1 THR A 47 8.500 -7.539 -8.960 1.00 0.00 O ATOM 705 CG2 THR A 47 10.174 -9.231 -8.449 1.00 0.00 C ATOM 0 H THR A 47 11.301 -8.053 -6.028 1.00 0.00 H new ATOM 0 HA THR A 47 8.824 -6.594 -6.721 1.00 0.00 H new ATOM 0 HB THR A 47 10.476 -7.147 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.714 -7.865 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.352 -9.374 -9.515 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.103 -9.389 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.425 -9.945 -8.107 1.00 0.00 H new ATOM 713 N TYR A 48 8.554 -8.596 -4.687 1.00 0.00 N ATOM 714 CA TYR A 48 7.563 -9.238 -3.838 1.00 0.00 C ATOM 715 C TYR A 48 7.346 -10.719 -4.173 1.00 0.00 C ATOM 716 O TYR A 48 8.103 -11.329 -4.925 1.00 0.00 O ATOM 717 CB TYR A 48 6.270 -8.393 -3.780 1.00 0.00 C ATOM 718 CG TYR A 48 6.010 -7.395 -4.895 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.736 -6.193 -4.942 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.954 -7.594 -5.797 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.467 -5.230 -5.925 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.646 -6.605 -6.742 1.00 0.00 C ATOM 723 CZ TYR A 48 5.425 -5.442 -6.835 1.00 0.00 C ATOM 724 OH TYR A 48 5.376 -4.704 -7.981 1.00 0.00 O ATOM 0 H TYR A 48 9.325 -8.186 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 48 7.957 -9.268 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.425 -9.081 -3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.273 -7.845 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.511 -6.009 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.379 -8.508 -5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.061 -4.329 -5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.803 -6.740 -7.403 1.00 0.00 H new ATOM 0 HH TYR A 48 6.286 -4.462 -8.254 1.00 0.00 H new ATOM 734 N THR A 49 6.334 -11.327 -3.553 1.00 0.00 N ATOM 735 CA THR A 49 5.892 -12.664 -3.894 1.00 0.00 C ATOM 736 C THR A 49 5.335 -12.656 -5.313 1.00 0.00 C ATOM 737 O THR A 49 4.479 -11.826 -5.612 1.00 0.00 O ATOM 738 CB THR A 49 4.773 -13.071 -2.940 1.00 0.00 C ATOM 739 OG1 THR A 49 3.871 -11.984 -2.806 1.00 0.00 O ATOM 740 CG2 THR A 49 5.318 -13.413 -1.554 1.00 0.00 C ATOM 0 H THR A 49 5.800 -10.897 -2.798 1.00 0.00 H new ATOM 0 HA THR A 49 6.728 -13.360 -3.820 1.00 0.00 H new ATOM 0 HB THR A 49 4.278 -13.952 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.753 -11.548 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.494 -13.699 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.022 -14.241 -1.634 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.827 -12.543 -1.138 1.00 0.00 H new ATOM 748 N ASP A 50 5.750 -13.626 -6.120 1.00 0.00 N ATOM 749 CA ASP A 50 5.317 -13.893 -7.488 1.00 0.00 C ATOM 750 C ASP A 50 3.806 -13.827 -7.643 1.00 0.00 C ATOM 751 O ASP A 50 3.336 -13.267 -8.617 1.00 0.00 O ATOM 752 CB ASP A 50 5.841 -15.273 -7.906 1.00 0.00 C ATOM 753 CG ASP A 50 5.187 -16.405 -7.120 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.882 -16.164 -5.926 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.975 -17.469 -7.733 1.00 0.00 O ATOM 0 H ASP A 50 6.452 -14.298 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 50 5.726 -13.118 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.659 -15.421 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.920 -15.309 -7.759 1.00 0.00 H new ATOM 760 N ALA A 51 3.031 -14.363 -6.708 1.00 0.00 N ATOM 761 CA ALA A 51 1.576 -14.340 -6.811 1.00 0.00 C ATOM 762 C ALA A 51 1.041 -12.911 -6.876 1.00 0.00 C ATOM 763 O ALA A 51 0.097 -12.629 -7.611 1.00 0.00 O ATOM 764 CB ALA A 51 0.962 -15.114 -5.643 1.00 0.00 C ATOM 0 H ALA A 51 3.386 -14.820 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 51 1.287 -14.827 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.125 -15.094 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.309 -16.147 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.264 -14.653 -4.702 1.00 0.00 H new ATOM 770 N ASN A 52 1.664 -11.999 -6.131 1.00 0.00 N ATOM 771 CA ASN A 52 1.332 -10.588 -6.206 1.00 0.00 C ATOM 772 C ASN A 52 1.980 -9.985 -7.450 1.00 0.00 C ATOM 773 O ASN A 52 1.342 -9.268 -8.217 1.00 0.00 O ATOM 774 CB ASN A 52 1.771 -9.903 -4.913 1.00 0.00 C ATOM 775 CG ASN A 52 1.355 -8.439 -4.867 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.643 -7.674 -5.780 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.715 -8.030 -3.780 1.00 0.00 N ATOM 0 H ASN A 52 2.405 -12.220 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 52 0.256 -10.441 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.339 -10.428 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.854 -9.974 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.446 -7.051 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.491 -8.695 -3.039 1.00 0.00 H new ATOM 784 N LYS A 53 3.244 -10.328 -7.697 1.00 0.00 N ATOM 785 CA LYS A 53 4.006 -9.800 -8.818 1.00 0.00 C ATOM 786 C LYS A 53 3.363 -10.204 -10.154 1.00 0.00 C ATOM 787 O LYS A 53 3.523 -9.543 -11.174 1.00 0.00 O ATOM 788 CB LYS A 53 5.502 -10.148 -8.654 1.00 0.00 C ATOM 789 CG LYS A 53 6.176 -10.925 -9.795 1.00 0.00 C ATOM 790 CD LYS A 53 6.558 -9.971 -10.937 1.00 0.00 C ATOM 791 CE LYS A 53 6.396 -10.599 -12.327 1.00 0.00 C ATOM 792 NZ LYS A 53 7.381 -11.669 -12.576 1.00 0.00 N ATOM 0 H LYS A 53 3.768 -10.985 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 53 3.972 -8.711 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.051 -9.217 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.614 -10.729 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.066 -11.432 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.502 -11.696 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.940 -9.075 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.593 -9.654 -10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.389 -11.005 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.503 -9.825 -13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.233 -12.063 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.342 -11.278 -12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.263 -12.421 -11.867 1.00 0.00 H new ATOM 806 N ASN A 54 2.602 -11.292 -10.158 1.00 0.00 N ATOM 807 CA ASN A 54 1.907 -11.792 -11.323 1.00 0.00 C ATOM 808 C ASN A 54 0.715 -10.886 -11.675 1.00 0.00 C ATOM 809 O ASN A 54 0.152 -10.992 -12.760 1.00 0.00 O ATOM 810 CB ASN A 54 1.438 -13.227 -11.049 1.00 0.00 C ATOM 811 CG ASN A 54 0.718 -13.840 -12.246 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.256 -13.881 -13.346 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.493 -14.350 -12.038 1.00 0.00 N ATOM 0 H ASN A 54 2.452 -11.861 -9.325 1.00 0.00 H new ATOM 0 HA ASN A 54 2.585 -11.792 -12.177 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.298 -13.845 -10.790 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.772 -13.231 -10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.000 -14.790 -12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.915 -14.301 -11.111 1.00 0.00 H new ATOM 820 N LYS A 55 0.280 -10.032 -10.737 1.00 0.00 N ATOM 821 CA LYS A 55 -1.033 -9.391 -10.799 1.00 0.00 C ATOM 822 C LYS A 55 -1.168 -8.414 -11.972 1.00 0.00 C ATOM 823 O LYS A 55 -2.199 -8.395 -12.640 1.00 0.00 O ATOM 824 CB LYS A 55 -1.341 -8.704 -9.458 1.00 0.00 C ATOM 825 CG LYS A 55 -2.780 -8.180 -9.358 1.00 0.00 C ATOM 826 CD LYS A 55 -3.813 -9.312 -9.224 1.00 0.00 C ATOM 827 CE LYS A 55 -4.925 -9.160 -10.270 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.897 -10.271 -10.208 1.00 0.00 N ATOM 0 H LYS A 55 0.829 -9.770 -9.919 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.771 -10.173 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.162 -9.410 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.649 -7.874 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.862 -7.515 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.009 -7.587 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.321 -10.277 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.245 -9.300 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.444 -8.215 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.483 -9.119 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.632 -10.130 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.407 -11.171 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.338 -10.294 -9.266 1.00 0.00 H new ATOM 842 N GLY A 56 -0.159 -7.566 -12.186 1.00 0.00 N ATOM 843 CA GLY A 56 -0.092 -6.688 -13.349 1.00 0.00 C ATOM 844 C GLY A 56 -1.190 -5.618 -13.419 1.00 0.00 C ATOM 845 O GLY A 56 -1.581 -5.224 -14.515 1.00 0.00 O ATOM 0 H GLY A 56 0.635 -7.471 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.879 -6.192 -13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.143 -7.299 -14.250 1.00 0.00 H new ATOM 849 N ILE A 57 -1.674 -5.114 -12.276 1.00 0.00 N ATOM 850 CA ILE A 57 -2.543 -3.938 -12.240 1.00 0.00 C ATOM 851 C ILE A 57 -1.695 -2.651 -12.329 1.00 0.00 C ATOM 852 O ILE A 57 -0.639 -2.648 -12.961 1.00 0.00 O ATOM 853 CB ILE A 57 -3.422 -4.012 -10.984 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.547 -4.182 -9.735 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.473 -5.122 -11.126 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.221 -3.596 -8.509 1.00 0.00 C ATOM 0 H ILE A 57 -1.474 -5.510 -11.357 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.211 -3.916 -13.101 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.968 -3.076 -10.869 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.345 -5.240 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.585 -3.694 -9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.087 -5.159 -10.226 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.106 -4.915 -11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.973 -6.081 -11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.577 -3.732 -7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.400 -2.532 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.171 -4.103 -8.339 1.00 0.00 H new ATOM 868 N THR A 58 -2.129 -1.529 -11.741 1.00 0.00 N ATOM 869 CA THR A 58 -1.451 -0.250 -11.822 1.00 0.00 C ATOM 870 C THR A 58 -1.673 0.519 -10.504 1.00 0.00 C ATOM 871 O THR A 58 -1.974 1.711 -10.522 1.00 0.00 O ATOM 872 CB THR A 58 -2.013 0.448 -13.071 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.959 -0.434 -14.179 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.234 1.698 -13.441 1.00 0.00 C ATOM 0 H THR A 58 -2.983 -1.496 -11.185 1.00 0.00 H new ATOM 0 HA THR A 58 -0.369 -0.328 -11.931 1.00 0.00 H new ATOM 0 HB THR A 58 -3.038 0.731 -12.833 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.320 0.015 -14.972 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.674 2.151 -14.330 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.272 2.408 -12.615 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.196 1.433 -13.644 1.00 0.00 H new ATOM 882 N TRP A 59 -1.575 -0.205 -9.377 1.00 0.00 N ATOM 883 CA TRP A 59 -1.907 0.208 -8.010 1.00 0.00 C ATOM 884 C TRP A 59 -2.735 1.490 -7.913 1.00 0.00 C ATOM 885 O TRP A 59 -2.271 2.523 -7.440 1.00 0.00 O ATOM 886 CB TRP A 59 -0.648 0.252 -7.144 1.00 0.00 C ATOM 887 CG TRP A 59 -0.200 -1.079 -6.640 1.00 0.00 C ATOM 888 CD1 TRP A 59 1.000 -1.639 -6.888 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.893 -1.990 -5.731 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.080 -2.843 -6.233 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.045 -3.108 -5.482 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.140 -1.975 -5.067 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.402 -4.139 -4.599 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.493 -2.983 -4.151 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.607 -4.040 -3.883 1.00 0.00 C ATOM 0 H TRP A 59 -1.236 -1.167 -9.404 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.573 -0.559 -7.614 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.161 0.699 -7.722 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.830 0.907 -6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.776 -1.209 -7.504 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.882 -3.471 -6.295 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.836 -1.174 -5.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.241 -4.997 -4.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.450 -2.944 -3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.851 -4.774 -3.129 1.00 0.00 H new ATOM 906 N LYS A 60 -3.989 1.383 -8.343 1.00 0.00 N ATOM 907 CA LYS A 60 -4.918 2.498 -8.471 1.00 0.00 C ATOM 908 C LYS A 60 -5.917 2.503 -7.301 1.00 0.00 C ATOM 909 O LYS A 60 -5.975 1.546 -6.518 1.00 0.00 O ATOM 910 CB LYS A 60 -5.647 2.373 -9.820 1.00 0.00 C ATOM 911 CG LYS A 60 -6.117 0.925 -10.043 1.00 0.00 C ATOM 912 CD LYS A 60 -7.384 0.799 -10.883 1.00 0.00 C ATOM 913 CE LYS A 60 -7.183 0.535 -12.378 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.462 0.081 -12.966 1.00 0.00 N ATOM 0 H LYS A 60 -4.398 0.490 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.374 3.442 -8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.503 3.047 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.982 2.675 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.317 0.366 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.290 0.458 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.989 -0.009 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.961 1.717 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.841 1.441 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.412 -0.221 -12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.323 -0.838 -13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.174 -0.016 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.789 0.778 -13.666 1.00 0.00 H new ATOM 928 N GLU A 61 -6.761 3.544 -7.234 1.00 0.00 N ATOM 929 CA GLU A 61 -7.791 3.750 -6.203 1.00 0.00 C ATOM 930 C GLU A 61 -9.013 2.832 -6.358 1.00 0.00 C ATOM 931 O GLU A 61 -10.153 3.259 -6.191 1.00 0.00 O ATOM 932 CB GLU A 61 -8.196 5.236 -6.128 1.00 0.00 C ATOM 933 CG GLU A 61 -8.606 5.866 -7.470 1.00 0.00 C ATOM 934 CD GLU A 61 -7.865 7.177 -7.688 1.00 0.00 C ATOM 935 OE1 GLU A 61 -6.708 7.084 -8.153 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.430 8.231 -7.324 1.00 0.00 O ATOM 0 H GLU A 61 -6.744 4.295 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.339 3.465 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.026 5.336 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.362 5.804 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.386 5.177 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.682 6.042 -7.483 1.00 0.00 H new ATOM 943 N GLU A 62 -8.756 1.551 -6.610 1.00 0.00 N ATOM 944 CA GLU A 62 -9.739 0.480 -6.648 1.00 0.00 C ATOM 945 C GLU A 62 -9.073 -0.732 -5.999 1.00 0.00 C ATOM 946 O GLU A 62 -9.521 -1.273 -4.988 1.00 0.00 O ATOM 947 CB GLU A 62 -10.155 0.176 -8.103 1.00 0.00 C ATOM 948 CG GLU A 62 -10.417 1.432 -8.948 1.00 0.00 C ATOM 949 CD GLU A 62 -11.013 1.070 -10.308 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.219 0.799 -11.239 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.255 1.033 -10.399 1.00 0.00 O ATOM 0 H GLU A 62 -7.811 1.219 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.650 0.755 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.372 -0.414 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.055 -0.438 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.097 2.096 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.485 1.978 -9.091 1.00 0.00 H new ATOM 958 N THR A 63 -7.931 -1.109 -6.573 1.00 0.00 N ATOM 959 CA THR A 63 -7.139 -2.245 -6.169 1.00 0.00 C ATOM 960 C THR A 63 -6.569 -2.015 -4.775 1.00 0.00 C ATOM 961 O THR A 63 -6.608 -2.909 -3.933 1.00 0.00 O ATOM 962 CB THR A 63 -6.044 -2.432 -7.222 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.453 -1.185 -7.562 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.664 -3.009 -8.500 1.00 0.00 C ATOM 0 H THR A 63 -7.526 -0.605 -7.362 1.00 0.00 H new ATOM 0 HA THR A 63 -7.740 -3.152 -6.110 1.00 0.00 H new ATOM 0 HB THR A 63 -5.289 -3.101 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.693 -1.011 -6.969 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.887 -3.144 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.125 -3.971 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.421 -2.323 -8.879 1.00 0.00 H new ATOM 972 N LEU A 64 -6.068 -0.800 -4.519 1.00 0.00 N ATOM 973 CA LEU A 64 -5.647 -0.433 -3.181 1.00 0.00 C ATOM 974 C LEU A 64 -6.801 -0.595 -2.196 1.00 0.00 C ATOM 975 O LEU A 64 -6.599 -1.106 -1.100 1.00 0.00 O ATOM 976 CB LEU A 64 -5.145 1.015 -3.160 1.00 0.00 C ATOM 977 CG LEU A 64 -3.610 1.117 -3.186 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.135 1.667 -4.528 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.131 2.023 -2.051 1.00 0.00 C ATOM 0 H LEU A 64 -5.949 -0.068 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.834 -1.095 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.554 1.549 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.522 1.512 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.190 0.120 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.047 1.733 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.460 1.003 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.559 2.659 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.043 2.091 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.560 3.018 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.448 1.607 -1.095 1.00 0.00 H new ATOM 991 N MET A 65 -8.000 -0.142 -2.564 1.00 0.00 N ATOM 992 CA MET A 65 -9.122 -0.162 -1.657 1.00 0.00 C ATOM 993 C MET A 65 -9.481 -1.605 -1.294 1.00 0.00 C ATOM 994 O MET A 65 -9.607 -1.915 -0.110 1.00 0.00 O ATOM 995 CB MET A 65 -10.273 0.651 -2.259 1.00 0.00 C ATOM 996 CG MET A 65 -11.287 0.980 -1.165 1.00 0.00 C ATOM 997 SD MET A 65 -12.477 2.301 -1.513 1.00 0.00 S ATOM 998 CE MET A 65 -11.389 3.748 -1.497 1.00 0.00 C ATOM 0 H MET A 65 -8.208 0.241 -3.486 1.00 0.00 H new ATOM 0 HA MET A 65 -8.871 0.318 -0.711 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.890 1.570 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.753 0.086 -3.058 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.846 0.072 -0.938 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.737 1.249 -0.264 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.991 4.656 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.794 3.746 -0.584 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.726 3.714 -2.362 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.597 -2.495 -2.291 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.846 -3.908 -2.018 1.00 0.00 C ATOM 1010 C GLU A 66 -8.748 -4.481 -1.111 1.00 0.00 C ATOM 1011 O GLU A 66 -9.042 -5.120 -0.105 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.993 -4.718 -3.318 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.561 -6.115 -3.003 1.00 0.00 C ATOM 1014 CD GLU A 66 -10.719 -7.014 -4.220 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.179 -6.669 -5.291 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.367 -8.072 -4.050 1.00 0.00 O ATOM 0 H GLU A 66 -9.523 -2.260 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.795 -3.989 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.653 -4.195 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.025 -4.812 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.906 -6.607 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.532 -6.000 -2.522 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.478 -4.250 -1.455 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.340 -4.767 -0.704 1.00 0.00 C ATOM 1025 C TYR A 67 -6.415 -4.362 0.766 1.00 0.00 C ATOM 1026 O TYR A 67 -6.426 -5.212 1.649 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.047 -4.257 -1.352 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.756 -4.836 -0.805 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.609 -6.227 -0.690 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.636 -4.012 -0.603 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.351 -6.805 -0.472 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.384 -4.590 -0.336 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.235 -5.984 -0.279 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.024 -6.549 -0.026 1.00 0.00 O ATOM 0 H TYR A 67 -7.213 -3.695 -2.269 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.356 -5.857 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.092 -4.467 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.012 -3.173 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.479 -6.862 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.737 -2.938 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.244 -7.879 -0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.526 -3.954 -0.173 1.00 0.00 H new ATOM 0 HH TYR A 67 0.326 -6.207 0.823 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.467 -3.061 1.040 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.516 -2.558 2.406 1.00 0.00 C ATOM 1046 C LEU A 68 -7.782 -3.019 3.134 1.00 0.00 C ATOM 1047 O LEU A 68 -7.733 -3.255 4.339 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.370 -1.029 2.436 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.917 -0.518 2.467 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.154 -1.040 3.687 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.122 -0.850 1.200 1.00 0.00 C ATOM 0 H LEU A 68 -6.476 -2.332 0.326 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.668 -2.982 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.868 -0.614 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.894 -0.645 3.312 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.007 0.567 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.134 -0.656 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.652 -0.707 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.132 -2.130 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.109 -0.459 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.083 -1.931 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.608 -0.396 0.336 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.910 -3.148 2.428 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.124 -3.703 3.012 1.00 0.00 C ATOM 1065 C GLU A 69 -9.914 -5.165 3.425 1.00 0.00 C ATOM 1066 O GLU A 69 -10.429 -5.591 4.457 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.292 -3.554 2.024 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.623 -3.995 2.646 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.776 -3.840 1.669 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.315 -2.710 1.635 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.130 -4.843 1.021 1.00 0.00 O ATOM 0 H GLU A 69 -9.002 -2.874 1.450 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.370 -3.147 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.367 -2.515 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.092 -4.149 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.550 -5.036 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.821 -3.404 3.540 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.202 -5.943 2.601 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.009 -7.373 2.800 1.00 0.00 C ATOM 1080 C ASN A 70 -7.825 -7.872 1.968 1.00 0.00 C ATOM 1081 O ASN A 70 -8.005 -8.248 0.809 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.271 -8.129 2.383 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.248 -9.561 2.902 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.189 -10.175 3.039 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.423 -10.118 3.184 1.00 0.00 N ATOM 0 H ASN A 70 -8.739 -5.585 1.766 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.805 -7.552 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.151 -7.614 2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.354 -8.134 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.463 -11.079 3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.283 -9.584 3.060 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.608 -7.909 2.522 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.422 -8.146 1.726 1.00 0.00 C ATOM 1094 C PRO A 71 -5.325 -9.610 1.309 1.00 0.00 C ATOM 1095 O PRO A 71 -5.090 -9.918 0.140 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.245 -7.676 2.580 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.773 -7.801 4.010 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.271 -7.529 3.877 1.00 0.00 C ATOM 0 HA PRO A 71 -5.438 -7.596 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.362 -8.295 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.962 -6.650 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.582 -8.793 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.295 -7.083 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.842 -8.109 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.498 -6.479 4.059 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.531 -10.511 2.271 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.575 -11.935 2.014 1.00 0.00 C ATOM 1108 C LYS A 72 -6.631 -12.282 0.958 1.00 0.00 C ATOM 1109 O LYS A 72 -6.354 -13.114 0.101 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.789 -12.697 3.327 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.489 -12.760 4.143 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.645 -13.707 5.342 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.290 -13.920 6.036 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.366 -14.933 7.110 1.00 0.00 N ATOM 0 H LYS A 72 -5.671 -10.264 3.251 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.617 -12.248 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.567 -12.208 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.138 -13.707 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.672 -13.101 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.225 -11.762 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.362 -13.292 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.044 -14.665 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.550 -14.230 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.945 -12.974 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.430 -15.044 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.052 -14.626 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.669 -15.843 6.708 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.824 -11.674 0.991 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.799 -11.930 -0.064 1.00 0.00 C ATOM 1130 C LYS A 73 -8.297 -11.387 -1.402 1.00 0.00 C ATOM 1131 O LYS A 73 -8.342 -12.111 -2.394 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.189 -11.390 0.301 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.275 -11.795 -0.709 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.436 -10.760 -1.837 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.127 -11.366 -3.065 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.898 -10.538 -4.266 1.00 0.00 N ATOM 0 H LYS A 73 -8.127 -11.022 1.715 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.910 -13.009 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.466 -11.755 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.146 -10.303 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.024 -12.764 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.226 -11.914 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.017 -9.912 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.456 -10.377 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.751 -12.374 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.197 -11.453 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.659 -10.706 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.889 -9.533 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.984 -10.790 -4.693 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.887 -10.113 -1.455 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.391 -9.499 -2.686 1.00 0.00 C ATOM 1152 C TYR A 74 -6.354 -10.385 -3.392 1.00 0.00 C ATOM 1153 O TYR A 74 -6.564 -10.779 -4.539 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.830 -8.113 -2.357 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.025 -7.437 -3.454 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -6.656 -6.790 -4.534 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -4.621 -7.434 -3.373 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -5.881 -6.097 -5.485 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -3.862 -6.654 -4.254 1.00 0.00 C ATOM 1160 CZ TYR A 74 -4.498 -5.966 -5.291 1.00 0.00 C ATOM 1161 OH TYR A 74 -3.750 -5.247 -6.164 1.00 0.00 O ATOM 0 H TYR A 74 -7.891 -9.486 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.217 -9.391 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.662 -7.461 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.198 -8.200 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.731 -6.825 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.125 -8.037 -2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.349 -5.669 -6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.791 -6.584 -4.133 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.195 -4.608 -5.670 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.235 -10.682 -2.724 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.181 -11.555 -3.237 1.00 0.00 C ATOM 1173 C ILE A 75 -3.668 -12.418 -2.076 1.00 0.00 C ATOM 1174 O ILE A 75 -2.777 -11.984 -1.344 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.048 -10.729 -3.886 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.538 -10.022 -5.163 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.832 -11.588 -4.277 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.455 -9.128 -5.771 1.00 0.00 C ATOM 0 H ILE A 75 -5.035 -10.314 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.575 -12.203 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.749 -10.005 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.847 -10.768 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.417 -9.421 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.069 -10.954 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.425 -12.069 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.140 -12.350 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.842 -8.648 -6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.165 -8.365 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.586 -9.733 -6.028 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.172 -13.650 -1.905 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.614 -14.567 -0.928 1.00 0.00 C ATOM 1192 C PRO A 76 -2.225 -14.998 -1.408 1.00 0.00 C ATOM 1193 O PRO A 76 -2.075 -15.434 -2.547 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.595 -15.739 -0.855 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.246 -15.751 -2.238 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.245 -14.280 -2.660 1.00 0.00 C ATOM 0 HA PRO A 76 -3.489 -14.129 0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.083 -16.678 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.333 -15.595 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.683 -16.368 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.258 -16.155 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.078 -14.181 -3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.204 -13.810 -2.442 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.208 -14.854 -0.554 1.00 0.00 N ATOM 1205 CA GLY A 77 0.172 -15.187 -0.888 1.00 0.00 C ATOM 1206 C GLY A 77 1.127 -14.111 -0.382 1.00 0.00 C ATOM 1207 O GLY A 77 2.240 -14.416 0.036 1.00 0.00 O ATOM 0 H GLY A 77 -1.324 -14.500 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.435 -16.149 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.274 -15.292 -1.968 1.00 0.00 H new ATOM 1211 N THR A 78 0.684 -12.850 -0.419 1.00 0.00 N ATOM 1212 CA THR A 78 1.462 -11.722 0.050 1.00 0.00 C ATOM 1213 C THR A 78 1.966 -11.949 1.478 1.00 0.00 C ATOM 1214 O THR A 78 1.275 -12.527 2.316 1.00 0.00 O ATOM 1215 CB THR A 78 0.636 -10.434 -0.057 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.464 -9.347 0.285 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.595 -10.426 0.857 1.00 0.00 C ATOM 0 H THR A 78 -0.234 -12.592 -0.780 1.00 0.00 H new ATOM 0 HA THR A 78 2.342 -11.619 -0.585 1.00 0.00 H new ATOM 0 HB THR A 78 0.271 -10.363 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.967 -8.510 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.135 -9.487 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.249 -11.258 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.278 -10.527 1.895 1.00 0.00 H new ATOM 1225 N LYS A 79 3.165 -11.439 1.755 1.00 0.00 N ATOM 1226 CA LYS A 79 3.788 -11.472 3.075 1.00 0.00 C ATOM 1227 C LYS A 79 3.418 -10.208 3.868 1.00 0.00 C ATOM 1228 O LYS A 79 4.228 -9.695 4.638 1.00 0.00 O ATOM 1229 CB LYS A 79 5.309 -11.653 2.920 1.00 0.00 C ATOM 1230 CG LYS A 79 5.649 -12.969 2.204 1.00 0.00 C ATOM 1231 CD LYS A 79 7.129 -13.061 1.799 1.00 0.00 C ATOM 1232 CE LYS A 79 8.060 -13.172 3.018 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.466 -13.397 2.621 1.00 0.00 N ATOM 0 H LYS A 79 3.743 -10.981 1.050 1.00 0.00 H new ATOM 0 HA LYS A 79 3.414 -12.321 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.721 -10.815 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.780 -11.640 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.403 -13.807 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.027 -13.065 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.274 -13.927 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.400 -12.180 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.992 -12.260 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.727 -13.992 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.060 -13.466 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.536 -14.281 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.792 -12.603 2.034 1.00 0.00 H new ATOM 1247 N MET A 80 2.197 -9.702 3.670 1.00 0.00 N ATOM 1248 CA MET A 80 1.649 -8.549 4.357 1.00 0.00 C ATOM 1249 C MET A 80 0.783 -9.039 5.513 1.00 0.00 C ATOM 1250 O MET A 80 0.105 -10.061 5.410 1.00 0.00 O ATOM 1251 CB MET A 80 0.859 -7.726 3.340 1.00 0.00 C ATOM 1252 CG MET A 80 0.234 -6.439 3.877 1.00 0.00 C ATOM 1253 SD MET A 80 0.315 -5.039 2.725 1.00 0.00 S ATOM 1254 CE MET A 80 -1.342 -4.338 2.903 1.00 0.00 C ATOM 0 H MET A 80 1.545 -10.107 2.998 1.00 0.00 H new ATOM 0 HA MET A 80 2.427 -7.912 4.777 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.521 -7.470 2.513 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.065 -8.351 2.931 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.810 -6.631 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.737 -6.163 4.804 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.407 -3.409 2.337 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.079 -5.046 2.524 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.540 -4.136 3.956 1.00 0.00 H new ATOM 1264 N ILE A 81 0.837 -8.313 6.627 1.00 0.00 N ATOM 1265 CA ILE A 81 0.230 -8.688 7.891 1.00 0.00 C ATOM 1266 C ILE A 81 -0.804 -7.617 8.215 1.00 0.00 C ATOM 1267 O ILE A 81 -0.502 -6.615 8.860 1.00 0.00 O ATOM 1268 CB ILE A 81 1.320 -8.806 8.969 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.421 -9.821 8.596 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.720 -9.146 10.343 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.965 -11.285 8.600 1.00 0.00 C ATOM 0 H ILE A 81 1.323 -7.417 6.671 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.262 -9.659 7.844 1.00 0.00 H new ATOM 0 HB ILE A 81 1.792 -7.825 9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.803 -9.576 7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.251 -9.710 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.519 -9.222 11.080 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.025 -8.361 10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.190 -10.097 10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.802 -11.928 8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.612 -11.553 9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.157 -11.416 7.880 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.023 -7.809 7.714 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.132 -6.898 7.922 1.00 0.00 C ATOM 1285 C PHE A 82 -4.415 -7.667 7.596 1.00 0.00 C ATOM 1286 O PHE A 82 -4.329 -8.772 7.058 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.923 -5.643 7.058 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.470 -4.377 7.665 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.826 -3.811 8.781 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.561 -3.718 7.077 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.281 -2.596 9.317 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -5.006 -2.498 7.605 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.379 -1.940 8.734 1.00 0.00 C ATOM 0 H PHE A 82 -2.265 -8.619 7.143 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.202 -6.546 8.951 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.856 -5.514 6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.394 -5.801 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.980 -4.313 9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.056 -4.150 6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.788 -2.166 10.176 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.835 -1.983 7.142 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.740 -1.011 9.151 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.587 -7.128 7.949 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.856 -7.829 7.788 1.00 0.00 C ATOM 1305 C ALA A 83 -7.983 -6.818 7.580 1.00 0.00 C ATOM 1306 O ALA A 83 -8.276 -6.471 6.442 1.00 0.00 O ATOM 1307 CB ALA A 83 -7.098 -8.768 8.978 1.00 0.00 C ATOM 0 H ALA A 83 -5.678 -6.196 8.353 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.826 -8.458 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.048 -9.285 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.292 -9.499 9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.126 -8.187 9.900 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.593 -6.339 8.671 1.00 0.00 N ATOM 1314 CA GLY A 84 -9.499 -5.198 8.637 1.00 0.00 C ATOM 1315 C GLY A 84 -8.678 -3.909 8.626 1.00 0.00 C ATOM 1316 O GLY A 84 -7.484 -3.956 8.342 1.00 0.00 O ATOM 0 H GLY A 84 -8.468 -6.737 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.133 -5.248 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.159 -5.216 9.504 1.00 0.00 H new ATOM 1320 N ILE A 85 -9.287 -2.765 8.963 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.615 -1.478 8.925 1.00 0.00 C ATOM 1322 C ILE A 85 -9.000 -0.712 10.196 1.00 0.00 C ATOM 1323 O ILE A 85 -8.181 -0.556 11.099 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.937 -0.814 7.569 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -8.234 0.536 7.368 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.438 -0.657 7.268 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.955 0.463 6.535 1.00 0.00 C ATOM 0 H ILE A 85 -10.259 -2.715 9.268 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.527 -1.529 8.952 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.536 -1.530 6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.928 1.225 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.994 0.956 8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.566 -0.182 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.912 -1.639 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.901 -0.039 8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.524 1.460 6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.240 -0.198 7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.188 0.075 5.543 1.00 0.00 H new ATOM 1339 N LYS A 86 -10.270 -0.314 10.315 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.822 0.336 11.485 1.00 0.00 C ATOM 1341 C LYS A 86 -12.336 0.143 11.461 1.00 0.00 C ATOM 1342 O LYS A 86 -12.908 -0.471 12.356 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.433 1.821 11.460 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.008 2.562 12.666 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.211 3.823 13.050 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.482 5.026 12.125 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.235 5.709 11.709 1.00 0.00 N ATOM 0 H LYS A 86 -10.956 -0.444 9.571 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.430 -0.094 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.347 1.915 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.797 2.280 10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.039 2.845 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.035 1.885 13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.456 4.100 14.075 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.146 3.591 13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.020 4.687 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.129 5.737 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.455 6.422 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.802 6.174 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.571 5.011 11.317 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.979 0.678 10.418 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.424 0.630 10.246 1.00 0.00 C ATOM 1363 C LYS A 87 -14.758 1.056 8.813 1.00 0.00 C ATOM 1364 O LYS A 87 -15.293 0.293 8.008 1.00 0.00 O ATOM 1365 CB LYS A 87 -15.093 1.549 11.298 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.613 1.372 11.387 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.968 0.057 12.105 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.140 -0.673 11.436 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.428 0.026 11.626 1.00 0.00 N ATOM 0 H LYS A 87 -12.497 1.163 9.661 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.806 -0.379 10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.654 1.348 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.870 2.588 11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.051 2.214 11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.043 1.373 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.095 -0.596 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.220 0.269 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.939 -0.773 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.215 -1.682 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.186 -0.508 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.636 0.100 12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.370 0.979 11.215 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.406 2.301 8.494 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.706 2.936 7.220 1.00 0.00 C ATOM 1385 C LYS A 88 -13.714 4.066 6.993 1.00 0.00 C ATOM 1386 O LYS A 88 -12.928 3.985 6.055 1.00 0.00 O ATOM 1387 CB LYS A 88 -16.166 3.423 7.161 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.526 4.045 5.797 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.789 2.998 4.699 1.00 0.00 C ATOM 1390 CE LYS A 88 -16.464 3.585 3.313 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.881 2.707 2.197 1.00 0.00 N ATOM 0 H LYS A 88 -13.892 2.907 9.133 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.602 2.208 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.834 2.585 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.332 4.159 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.412 4.670 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.714 4.699 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.180 2.112 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.831 2.680 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.957 4.552 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.391 3.765 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.636 3.156 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.392 1.792 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.909 2.555 2.241 1.00 0.00 H new ATOM 1405 N THR A 89 -13.741 5.090 7.853 1.00 0.00 N ATOM 1406 CA THR A 89 -12.939 6.299 7.730 1.00 0.00 C ATOM 1407 C THR A 89 -11.512 5.960 7.311 1.00 0.00 C ATOM 1408 O THR A 89 -11.038 6.444 6.290 1.00 0.00 O ATOM 1409 CB THR A 89 -12.988 7.053 9.067 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.257 6.843 9.662 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.733 8.553 8.896 1.00 0.00 C ATOM 0 H THR A 89 -14.342 5.094 8.677 1.00 0.00 H new ATOM 0 HA THR A 89 -13.344 6.943 6.949 1.00 0.00 H new ATOM 0 HB THR A 89 -12.195 6.666 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.300 7.319 10.518 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.778 9.043 9.869 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.747 8.707 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.492 8.979 8.240 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.878 5.043 8.049 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.503 4.646 7.806 1.00 0.00 C ATOM 1421 C GLU A 90 -9.273 4.085 6.407 1.00 0.00 C ATOM 1422 O GLU A 90 -8.256 4.369 5.777 1.00 0.00 O ATOM 1423 CB GLU A 90 -9.076 3.645 8.867 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.567 3.734 9.071 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.203 3.159 10.413 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.319 3.906 11.410 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.824 1.976 10.457 1.00 0.00 O ATOM 0 H GLU A 90 -11.313 4.558 8.833 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.888 5.544 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.593 3.849 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.354 2.636 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.050 3.191 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.242 4.773 9.009 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.233 3.296 5.923 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.186 2.686 4.604 1.00 0.00 C ATOM 1436 C ARG A 91 -10.135 3.771 3.527 1.00 0.00 C ATOM 1437 O ARG A 91 -9.703 3.506 2.412 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.424 1.791 4.434 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.274 0.733 3.330 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.538 0.586 2.462 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.421 -0.538 2.827 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.226 -0.692 3.891 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.165 0.146 4.927 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.111 -1.688 3.883 1.00 0.00 N ATOM 0 H ARG A 91 -11.076 3.062 6.448 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.288 2.076 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.632 1.290 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.287 2.418 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.431 0.998 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.039 -0.229 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.111 1.512 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.234 0.466 1.422 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.420 -1.318 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.499 0.919 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.784 0.014 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.167 -2.314 3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.733 -1.824 4.680 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.580 4.984 3.866 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.521 6.140 3.003 1.00 0.00 C ATOM 1460 C GLU A 92 -9.266 6.966 3.334 1.00 0.00 C ATOM 1461 O GLU A 92 -8.553 7.371 2.426 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.836 6.911 3.184 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.201 7.736 1.939 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.621 6.856 0.765 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.295 5.835 1.027 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.277 7.246 -0.369 1.00 0.00 O ATOM 0 H GLU A 92 -11.000 5.182 4.774 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.429 5.870 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.640 6.208 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.751 7.574 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.012 8.422 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.346 8.345 1.646 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.990 7.226 4.621 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.870 8.035 5.105 1.00 0.00 C ATOM 1475 C ASP A 93 -6.572 7.535 4.478 1.00 0.00 C ATOM 1476 O ASP A 93 -5.859 8.280 3.816 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.707 7.960 6.640 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.764 8.659 7.484 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.960 9.871 7.243 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.316 7.993 8.391 1.00 0.00 O ATOM 0 H ASP A 93 -9.566 6.862 5.380 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.082 9.067 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.686 6.909 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.735 8.381 6.898 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.263 6.257 4.694 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.086 5.602 4.141 1.00 0.00 C ATOM 1487 C LEU A 94 -5.004 5.834 2.637 1.00 0.00 C ATOM 1488 O LEU A 94 -4.003 6.332 2.117 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.177 4.104 4.457 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.503 3.720 5.784 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.050 3.396 5.482 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.563 4.766 6.902 1.00 0.00 C ATOM 0 H LEU A 94 -6.836 5.640 5.269 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.182 6.018 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.226 3.810 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.715 3.540 3.647 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.067 2.873 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.540 3.118 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.001 2.566 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.565 4.270 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.055 4.382 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.073 5.681 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.604 4.979 7.145 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.091 5.510 1.942 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.143 5.594 0.493 1.00 0.00 C ATOM 1506 C ILE A 95 -6.196 7.062 0.037 1.00 0.00 C ATOM 1507 O ILE A 95 -6.117 7.330 -1.160 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.302 4.710 -0.017 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.220 3.283 0.571 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.354 4.617 -1.551 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.855 2.614 0.409 1.00 0.00 C ATOM 0 H ILE A 95 -6.957 5.183 2.370 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.232 5.200 0.042 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.215 5.198 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.468 3.325 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.976 2.661 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.189 3.983 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.487 5.614 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.423 4.189 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.884 1.617 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.611 2.537 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.095 3.211 0.914 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.263 8.028 0.966 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.287 9.439 0.637 1.00 0.00 C ATOM 1525 C ALA A 96 -4.862 9.958 0.750 1.00 0.00 C ATOM 1526 O ALA A 96 -4.362 10.586 -0.183 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.258 10.174 1.561 1.00 0.00 C ATOM 0 H ALA A 96 -6.302 7.839 1.968 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.644 9.609 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.270 11.234 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.259 9.760 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.938 10.052 2.596 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.179 9.633 1.856 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.763 9.917 1.989 1.00 0.00 C ATOM 1535 C TYR A 97 -2.015 9.374 0.791 1.00 0.00 C ATOM 1536 O TYR A 97 -1.276 10.114 0.157 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.139 9.308 3.247 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.605 9.322 3.237 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.086 10.423 2.687 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.143 8.234 3.724 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.490 10.464 2.668 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.550 8.258 3.663 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.227 9.371 3.138 1.00 0.00 C ATOM 1544 OH TYR A 97 3.587 9.404 3.060 1.00 0.00 O ATOM 0 H TYR A 97 -4.594 9.173 2.666 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.678 11.001 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.494 9.855 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.484 8.280 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.475 11.248 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.363 7.378 4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.000 11.338 2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.115 7.411 4.024 1.00 0.00 H new ATOM 0 HH TYR A 97 3.956 8.574 3.427 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.154 8.087 0.485 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.306 7.521 -0.554 1.00 0.00 C ATOM 1556 C LEU A 98 -1.541 8.197 -1.906 1.00 0.00 C ATOM 1557 O LEU A 98 -0.638 8.244 -2.744 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.417 5.999 -0.582 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.032 5.389 0.775 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.239 3.875 0.714 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.407 5.716 1.198 1.00 0.00 C ATOM 0 H LEU A 98 -2.815 7.443 0.920 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.265 7.735 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.437 5.711 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.768 5.599 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.677 5.834 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.969 3.432 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.285 3.659 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.611 3.453 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.616 5.256 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.102 5.328 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.526 6.797 1.277 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.714 8.814 -2.075 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.077 9.533 -3.287 1.00 0.00 C ATOM 1575 C LYS A 99 -2.264 10.828 -3.459 1.00 0.00 C ATOM 1576 O LYS A 99 -2.243 11.391 -4.550 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.594 9.786 -3.283 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.242 9.341 -4.603 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.765 9.165 -4.505 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.582 10.452 -4.686 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.322 11.443 -3.627 1.00 0.00 N ATOM 0 H LYS A 99 -3.443 8.825 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.827 8.920 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.051 9.248 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.787 10.847 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.017 10.076 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.794 8.399 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.081 8.443 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.004 8.735 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.349 10.892 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.644 10.206 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.131 12.093 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.187 10.954 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.464 11.983 -3.860 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.590 11.291 -2.398 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.616 12.373 -2.420 1.00 0.00 C ATOM 1597 C LYS A 100 0.802 11.857 -2.138 1.00 0.00 C ATOM 1598 O LYS A 100 1.752 12.510 -2.556 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.008 13.505 -1.459 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.990 13.084 0.018 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.746 14.246 0.991 1.00 0.00 C ATOM 1602 CE LYS A 100 0.744 14.517 1.252 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.491 14.944 0.056 1.00 0.00 N ATOM 0 H LYS A 100 -1.719 10.900 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.615 12.791 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.325 14.343 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.006 13.861 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.941 12.611 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.214 12.332 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.208 15.149 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.240 14.028 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.835 15.286 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.203 13.613 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.465 15.189 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.508 14.169 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.028 15.775 -0.364 1.00 0.00 H new ATOM 1617 N ALA A 101 0.976 10.733 -1.424 1.00 0.00 N ATOM 1618 CA ALA A 101 2.282 10.109 -1.200 1.00 0.00 C ATOM 1619 C ALA A 101 2.906 9.787 -2.547 1.00 0.00 C ATOM 1620 O ALA A 101 4.084 10.015 -2.776 1.00 0.00 O ATOM 1621 CB ALA A 101 2.151 8.824 -0.383 1.00 0.00 C ATOM 0 H ALA A 101 0.205 10.231 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 101 2.909 10.803 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.138 8.385 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.706 9.052 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.516 8.117 -0.917 1.00 0.00 H new ATOM 1627 N THR A 102 2.059 9.304 -3.455 1.00 0.00 N ATOM 1628 CA THR A 102 2.420 8.994 -4.826 1.00 0.00 C ATOM 1629 C THR A 102 2.890 10.228 -5.617 1.00 0.00 C ATOM 1630 O THR A 102 3.317 10.071 -6.760 1.00 0.00 O ATOM 1631 CB THR A 102 1.206 8.303 -5.461 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.544 7.481 -6.564 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.130 9.327 -5.848 1.00 0.00 C ATOM 0 H THR A 102 1.079 9.115 -3.246 1.00 0.00 H new ATOM 0 HA THR A 102 3.284 8.330 -4.846 1.00 0.00 H new ATOM 0 HB THR A 102 0.800 7.639 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.234 7.923 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.719 8.811 -6.296 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.199 9.863 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.543 10.036 -6.566 1.00 0.00 H new ATOM 1641 N ASN A 103 2.737 11.439 -5.056 1.00 0.00 N ATOM 1642 CA ASN A 103 3.073 12.713 -5.685 1.00 0.00 C ATOM 1643 C ASN A 103 4.202 13.436 -4.932 1.00 0.00 C ATOM 1644 O ASN A 103 5.090 13.990 -5.574 1.00 0.00 O ATOM 1645 CB ASN A 103 1.796 13.569 -5.754 1.00 0.00 C ATOM 1646 CG ASN A 103 1.905 14.788 -6.670 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.973 15.170 -7.128 1.00 0.00 O ATOM 1648 ND2 ASN A 103 0.772 15.417 -6.969 1.00 0.00 N ATOM 0 H ASN A 103 2.361 11.554 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 103 3.448 12.536 -6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.972 12.944 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.544 13.906 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.787 16.228 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.112 15.088 -6.580 1.00 0.00 H new ATOM 1655 N GLU A 104 4.145 13.483 -3.593 1.00 0.00 N ATOM 1656 CA GLU A 104 5.114 14.225 -2.794 1.00 0.00 C ATOM 1657 C GLU A 104 6.510 13.587 -2.803 1.00 0.00 C ATOM 1658 O GLU A 104 7.463 14.335 -2.491 1.00 0.00 O ATOM 1659 CB GLU A 104 4.595 14.505 -1.369 1.00 0.00 C ATOM 1660 CG GLU A 104 4.345 13.301 -0.436 1.00 0.00 C ATOM 1661 CD GLU A 104 4.318 13.708 1.034 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.748 14.791 1.297 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.763 12.914 1.881 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.604 12.380 -3.114 1.00 0.00 O ATOM 0 H GLU A 104 3.429 13.009 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 104 5.233 15.195 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.310 15.165 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.660 15.058 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.397 12.830 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.125 12.555 -0.591 1.00 0.00 H new