USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 116 LYS NZ :NH3+ -118:sc= -0.732 (180deg=-1.71) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 33:sc= 0.118 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0894 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.275 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.031) USER MOD Single : A 105 MET CE :methyl 174:sc= -1.3 (180deg=-1.41) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot -115:sc= 1.2 USER MOD Single : A 131 ASN : amide:sc= -1.84 K(o=-1.8,f=-6.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 14.244 6.593 2.449 1.00 0.00 N ATOM 2 CA SER A 78 13.932 5.292 3.108 1.00 0.00 C ATOM 3 C SER A 78 14.261 4.131 2.166 1.00 0.00 C ATOM 4 O SER A 78 13.422 3.673 1.413 1.00 0.00 O ATOM 5 CB SER A 78 12.431 5.343 3.392 1.00 0.00 C ATOM 6 OG SER A 78 12.167 6.376 4.333 1.00 0.00 O ATOM 0 HA SER A 78 14.514 5.138 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.880 5.526 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.090 4.384 3.782 1.00 0.00 H new ATOM 0 HG SER A 78 12.803 7.110 4.200 1.00 0.00 H new ATOM 12 N GLU A 79 15.479 3.654 2.205 1.00 0.00 N ATOM 13 CA GLU A 79 15.877 2.520 1.314 1.00 0.00 C ATOM 14 C GLU A 79 15.225 1.218 1.788 1.00 0.00 C ATOM 15 O GLU A 79 15.828 0.441 2.503 1.00 0.00 O ATOM 16 CB GLU A 79 17.401 2.434 1.438 1.00 0.00 C ATOM 17 CG GLU A 79 17.933 1.331 0.521 1.00 0.00 C ATOM 18 CD GLU A 79 19.462 1.307 0.586 1.00 0.00 C ATOM 19 OE1 GLU A 79 20.078 2.078 -0.131 1.00 0.00 O ATOM 20 OE2 GLU A 79 19.990 0.519 1.354 1.00 0.00 O ATOM 0 H GLU A 79 16.218 4.001 2.817 1.00 0.00 H new ATOM 0 HA GLU A 79 15.560 2.675 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.851 3.390 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.680 2.227 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.530 0.365 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.605 1.505 -0.504 1.00 0.00 H new ATOM 27 N ASP A 80 14.000 0.973 1.390 1.00 0.00 N ATOM 28 CA ASP A 80 13.303 -0.287 1.816 1.00 0.00 C ATOM 29 C ASP A 80 12.125 -0.573 0.884 1.00 0.00 C ATOM 30 O ASP A 80 11.998 0.035 -0.155 1.00 0.00 O ATOM 31 CB ASP A 80 12.802 -0.003 3.235 1.00 0.00 C ATOM 32 CG ASP A 80 13.888 -0.368 4.249 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.186 -1.544 4.373 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.405 0.536 4.885 1.00 0.00 O ATOM 0 H ASP A 80 13.451 1.588 0.790 1.00 0.00 H new ATOM 0 HA ASP A 80 13.960 -1.156 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.538 1.050 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.898 -0.578 3.434 1.00 0.00 H new ATOM 39 N ILE A 81 11.249 -1.477 1.243 1.00 0.00 N ATOM 40 CA ILE A 81 10.086 -1.747 0.347 1.00 0.00 C ATOM 41 C ILE A 81 8.887 -0.915 0.800 1.00 0.00 C ATOM 42 O ILE A 81 7.847 -1.442 1.105 1.00 0.00 O ATOM 43 CB ILE A 81 9.801 -3.263 0.401 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.254 -3.691 1.802 1.00 0.00 C ATOM 45 CG2 ILE A 81 11.078 -4.026 0.007 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.267 -4.522 2.616 1.00 0.00 C ATOM 0 H ILE A 81 11.286 -2.029 2.100 1.00 0.00 H new ATOM 0 HA ILE A 81 10.296 -1.463 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 81 9.017 -3.514 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.985 -2.800 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.341 -4.271 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.887 -5.098 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.374 -3.743 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.880 -3.778 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.829 -4.789 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.517 -5.430 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.171 -3.936 2.779 1.00 0.00 H new ATOM 58 N ILE A 82 9.016 0.393 0.832 1.00 0.00 N ATOM 59 CA ILE A 82 7.852 1.230 1.255 1.00 0.00 C ATOM 60 C ILE A 82 7.288 1.945 0.040 1.00 0.00 C ATOM 61 O ILE A 82 7.970 2.127 -0.944 1.00 0.00 O ATOM 62 CB ILE A 82 8.379 2.236 2.287 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.950 1.480 3.488 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.233 3.148 2.757 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.933 2.381 4.240 1.00 0.00 C ATOM 0 H ILE A 82 9.863 0.907 0.588 1.00 0.00 H new ATOM 0 HA ILE A 82 7.055 0.628 1.691 1.00 0.00 H new ATOM 0 HB ILE A 82 9.160 2.844 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.144 1.170 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.454 0.573 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.612 3.860 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.824 3.688 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.449 2.542 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.339 1.842 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.746 2.669 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.415 3.275 4.587 1.00 0.00 H new ATOM 77 N VAL A 83 6.053 2.350 0.109 1.00 0.00 N ATOM 78 CA VAL A 83 5.434 3.061 -1.041 1.00 0.00 C ATOM 79 C VAL A 83 4.561 4.212 -0.531 1.00 0.00 C ATOM 80 O VAL A 83 4.333 4.349 0.657 1.00 0.00 O ATOM 81 CB VAL A 83 4.568 2.011 -1.755 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.435 0.874 -2.310 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.529 1.438 -0.782 1.00 0.00 C ATOM 0 H VAL A 83 5.443 2.219 0.916 1.00 0.00 H new ATOM 0 HA VAL A 83 6.181 3.488 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 83 4.058 2.498 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.800 0.143 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.154 1.279 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.969 0.391 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.920 0.695 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.039 0.970 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.890 2.242 -0.418 1.00 0.00 H new ATOM 93 N VAL A 84 4.056 5.021 -1.423 1.00 0.00 N ATOM 94 CA VAL A 84 3.173 6.143 -1.001 1.00 0.00 C ATOM 95 C VAL A 84 1.930 6.166 -1.897 1.00 0.00 C ATOM 96 O VAL A 84 2.029 6.267 -3.108 1.00 0.00 O ATOM 97 CB VAL A 84 4.019 7.433 -1.132 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.145 7.884 -2.594 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.351 8.550 -0.331 1.00 0.00 C ATOM 0 H VAL A 84 4.218 4.952 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 84 2.819 6.041 0.025 1.00 0.00 H new ATOM 0 HB VAL A 84 5.018 7.221 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.746 8.792 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.626 7.098 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.153 8.082 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.941 9.463 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.348 8.727 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.287 8.258 0.717 1.00 0.00 H new ATOM 109 N ALA A 85 0.765 6.055 -1.317 1.00 0.00 N ATOM 110 CA ALA A 85 -0.473 6.072 -2.145 1.00 0.00 C ATOM 111 C ALA A 85 -0.597 7.436 -2.810 1.00 0.00 C ATOM 112 O ALA A 85 -0.687 8.449 -2.135 1.00 0.00 O ATOM 113 CB ALA A 85 -1.621 5.856 -1.172 1.00 0.00 C ATOM 0 H ALA A 85 0.618 5.954 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.467 5.310 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.565 5.857 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.495 4.898 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.627 6.657 -0.433 1.00 0.00 H new ATOM 119 N LEU A 86 -0.594 7.464 -4.121 1.00 0.00 N ATOM 120 CA LEU A 86 -0.690 8.760 -4.852 1.00 0.00 C ATOM 121 C LEU A 86 -2.142 9.084 -5.220 1.00 0.00 C ATOM 122 O LEU A 86 -2.411 10.104 -5.824 1.00 0.00 O ATOM 123 CB LEU A 86 0.136 8.551 -6.122 1.00 0.00 C ATOM 124 CG LEU A 86 1.618 8.446 -5.754 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.432 8.080 -6.998 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.101 9.788 -5.204 1.00 0.00 C ATOM 0 H LEU A 86 -0.529 6.638 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.331 9.591 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.188 7.645 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.021 9.381 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 86 1.750 7.673 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.487 8.006 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.088 7.123 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.302 8.851 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.156 9.715 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.968 10.561 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.523 10.047 -4.317 1.00 0.00 H new ATOM 138 N TYR A 87 -3.081 8.239 -4.856 1.00 0.00 N ATOM 139 CA TYR A 87 -4.518 8.524 -5.174 1.00 0.00 C ATOM 140 C TYR A 87 -5.397 7.893 -4.094 1.00 0.00 C ATOM 141 O TYR A 87 -5.038 6.894 -3.497 1.00 0.00 O ATOM 142 CB TYR A 87 -4.811 7.888 -6.544 1.00 0.00 C ATOM 143 CG TYR A 87 -3.772 8.299 -7.562 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.941 9.470 -8.309 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.636 7.504 -7.748 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.970 9.845 -9.246 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.666 7.877 -8.684 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.832 9.049 -9.434 1.00 0.00 C ATOM 149 OH TYR A 87 -0.876 9.420 -10.357 1.00 0.00 O ATOM 0 H TYR A 87 -2.914 7.367 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.721 9.594 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.824 6.802 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.801 8.191 -6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.818 10.083 -8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.508 6.602 -7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.098 10.748 -9.824 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.790 7.262 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.152 8.760 -10.362 1.00 0.00 H new ATOM 159 N ASP A 88 -6.531 8.480 -3.823 1.00 0.00 N ATOM 160 CA ASP A 88 -7.428 7.926 -2.764 1.00 0.00 C ATOM 161 C ASP A 88 -7.965 6.558 -3.194 1.00 0.00 C ATOM 162 O ASP A 88 -8.112 6.289 -4.371 1.00 0.00 O ATOM 163 CB ASP A 88 -8.572 8.933 -2.628 1.00 0.00 C ATOM 164 CG ASP A 88 -8.121 10.119 -1.772 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.308 9.913 -0.886 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.597 11.216 -2.016 1.00 0.00 O ATOM 0 H ASP A 88 -6.877 9.319 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.905 7.784 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.881 9.281 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.439 8.453 -2.173 1.00 0.00 H new ATOM 171 N TYR A 89 -8.263 5.693 -2.253 1.00 0.00 N ATOM 172 CA TYR A 89 -8.800 4.342 -2.620 1.00 0.00 C ATOM 173 C TYR A 89 -9.652 3.773 -1.480 1.00 0.00 C ATOM 174 O TYR A 89 -9.659 4.290 -0.379 1.00 0.00 O ATOM 175 CB TYR A 89 -7.565 3.466 -2.866 1.00 0.00 C ATOM 176 CG TYR A 89 -8.000 2.141 -3.450 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.709 2.105 -4.659 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.703 0.947 -2.779 1.00 0.00 C ATOM 179 CE1 TYR A 89 -9.120 0.878 -5.194 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.115 -0.281 -3.315 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.823 -0.315 -4.523 1.00 0.00 C ATOM 182 OH TYR A 89 -9.228 -1.523 -5.053 1.00 0.00 O ATOM 0 H TYR A 89 -8.159 5.862 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.444 4.386 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.878 3.969 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.027 3.306 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.938 3.024 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.156 0.973 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.667 0.852 -6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.887 -1.201 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.258 -1.458 -6.030 1.00 0.00 H new ATOM 192 N GLU A 90 -10.383 2.719 -1.749 1.00 0.00 N ATOM 193 CA GLU A 90 -11.256 2.107 -0.697 1.00 0.00 C ATOM 194 C GLU A 90 -11.385 0.595 -0.930 1.00 0.00 C ATOM 195 O GLU A 90 -12.226 0.141 -1.683 1.00 0.00 O ATOM 196 CB GLU A 90 -12.616 2.802 -0.846 1.00 0.00 C ATOM 197 CG GLU A 90 -13.141 2.653 -2.286 1.00 0.00 C ATOM 198 CD GLU A 90 -13.230 4.029 -2.954 1.00 0.00 C ATOM 199 OE1 GLU A 90 -13.540 4.984 -2.261 1.00 0.00 O ATOM 200 OE2 GLU A 90 -12.982 4.103 -4.147 1.00 0.00 O ATOM 0 H GLU A 90 -10.413 2.254 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.848 2.237 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.331 2.370 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.521 3.858 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.479 2.003 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.123 2.179 -2.277 1.00 0.00 H new ATOM 207 N ALA A 91 -10.552 -0.180 -0.287 1.00 0.00 N ATOM 208 CA ALA A 91 -10.601 -1.670 -0.463 1.00 0.00 C ATOM 209 C ALA A 91 -11.972 -2.231 -0.042 1.00 0.00 C ATOM 210 O ALA A 91 -12.736 -1.575 0.639 1.00 0.00 O ATOM 211 CB ALA A 91 -9.482 -2.212 0.431 1.00 0.00 C ATOM 0 H ALA A 91 -9.834 0.153 0.357 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.465 -1.963 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.452 -3.299 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.526 -1.800 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.670 -1.923 1.465 1.00 0.00 H new ATOM 217 N ILE A 92 -12.297 -3.435 -0.470 1.00 0.00 N ATOM 218 CA ILE A 92 -13.630 -4.044 -0.118 1.00 0.00 C ATOM 219 C ILE A 92 -13.475 -5.485 0.426 1.00 0.00 C ATOM 220 O ILE A 92 -14.264 -5.929 1.239 1.00 0.00 O ATOM 221 CB ILE A 92 -14.413 -4.050 -1.442 1.00 0.00 C ATOM 222 CG1 ILE A 92 -14.646 -2.610 -1.906 1.00 0.00 C ATOM 223 CG2 ILE A 92 -15.771 -4.738 -1.254 1.00 0.00 C ATOM 224 CD1 ILE A 92 -14.981 -2.605 -3.399 1.00 0.00 C ATOM 0 H ILE A 92 -11.697 -4.023 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 92 -14.134 -3.482 0.669 1.00 0.00 H new ATOM 0 HB ILE A 92 -13.833 -4.594 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -15.460 -2.160 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -13.757 -2.008 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -16.314 -4.735 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -15.616 -5.766 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -16.349 -4.202 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -15.147 -1.580 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -14.152 -3.038 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -15.882 -3.193 -3.572 1.00 0.00 H new ATOM 236 N HIS A 93 -12.480 -6.217 -0.022 1.00 0.00 N ATOM 237 CA HIS A 93 -12.298 -7.633 0.459 1.00 0.00 C ATOM 238 C HIS A 93 -12.051 -7.674 1.979 1.00 0.00 C ATOM 239 O HIS A 93 -12.425 -6.769 2.699 1.00 0.00 O ATOM 240 CB HIS A 93 -11.079 -8.171 -0.311 1.00 0.00 C ATOM 241 CG HIS A 93 -11.497 -9.337 -1.170 1.00 0.00 C ATOM 242 ND1 HIS A 93 -12.001 -9.168 -2.450 1.00 0.00 N ATOM 243 CD2 HIS A 93 -11.513 -10.690 -0.937 1.00 0.00 C ATOM 244 CE1 HIS A 93 -12.299 -10.388 -2.934 1.00 0.00 C ATOM 245 NE2 HIS A 93 -12.021 -11.352 -2.052 1.00 0.00 N ATOM 0 H HIS A 93 -11.786 -5.899 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 93 -13.188 -8.236 0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.652 -7.384 -0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -10.303 -8.481 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -11.182 -11.168 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -12.712 -10.566 -3.916 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -12.152 -12.357 -2.170 1.00 0.00 H new ATOM 253 N HIS A 94 -11.442 -8.733 2.470 1.00 0.00 N ATOM 254 CA HIS A 94 -11.189 -8.854 3.945 1.00 0.00 C ATOM 255 C HIS A 94 -9.819 -8.276 4.321 1.00 0.00 C ATOM 256 O HIS A 94 -9.736 -7.235 4.947 1.00 0.00 O ATOM 257 CB HIS A 94 -11.236 -10.355 4.231 1.00 0.00 C ATOM 258 CG HIS A 94 -12.652 -10.755 4.544 1.00 0.00 C ATOM 259 ND1 HIS A 94 -13.579 -11.023 3.551 1.00 0.00 N ATOM 260 CD2 HIS A 94 -13.318 -10.918 5.734 1.00 0.00 C ATOM 261 CE1 HIS A 94 -14.743 -11.329 4.154 1.00 0.00 C ATOM 262 NE2 HIS A 94 -14.639 -11.281 5.485 1.00 0.00 N ATOM 0 H HIS A 94 -11.109 -9.519 1.911 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.924 -8.299 4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.870 -10.913 3.369 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.583 -10.598 5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.883 -10.785 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.650 -11.582 3.626 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -15.370 -11.470 6.171 1.00 0.00 H new ATOM 270 N GLU A 95 -8.743 -8.933 3.948 1.00 0.00 N ATOM 271 CA GLU A 95 -7.387 -8.390 4.287 1.00 0.00 C ATOM 272 C GLU A 95 -7.155 -7.075 3.532 1.00 0.00 C ATOM 273 O GLU A 95 -6.294 -6.300 3.884 1.00 0.00 O ATOM 274 CB GLU A 95 -6.382 -9.452 3.828 1.00 0.00 C ATOM 275 CG GLU A 95 -5.119 -9.386 4.702 1.00 0.00 C ATOM 276 CD GLU A 95 -5.460 -9.833 6.125 1.00 0.00 C ATOM 277 OE1 GLU A 95 -5.799 -10.993 6.294 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.376 -9.010 7.021 1.00 0.00 O ATOM 0 H GLU A 95 -8.745 -9.811 3.430 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.285 -8.183 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.830 -10.443 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.121 -9.291 2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.341 -10.026 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.724 -8.370 4.713 1.00 0.00 H new ATOM 285 N ASP A 96 -7.936 -6.823 2.500 1.00 0.00 N ATOM 286 CA ASP A 96 -7.805 -5.561 1.693 1.00 0.00 C ATOM 287 C ASP A 96 -7.582 -4.322 2.586 1.00 0.00 C ATOM 288 O ASP A 96 -8.085 -4.248 3.693 1.00 0.00 O ATOM 289 CB ASP A 96 -9.147 -5.460 0.949 1.00 0.00 C ATOM 290 CG ASP A 96 -10.289 -5.235 1.951 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.195 -5.741 3.053 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.233 -4.553 1.601 1.00 0.00 O ATOM 0 H ASP A 96 -8.672 -7.452 2.178 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.944 -5.592 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.114 -4.639 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.326 -6.372 0.380 1.00 0.00 H new ATOM 297 N LEU A 97 -6.831 -3.359 2.111 1.00 0.00 N ATOM 298 CA LEU A 97 -6.575 -2.129 2.923 1.00 0.00 C ATOM 299 C LEU A 97 -6.769 -0.873 2.067 1.00 0.00 C ATOM 300 O LEU A 97 -6.296 -0.792 0.948 1.00 0.00 O ATOM 301 CB LEU A 97 -5.116 -2.249 3.387 1.00 0.00 C ATOM 302 CG LEU A 97 -4.719 -1.000 4.198 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.048 -1.422 5.506 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.743 -0.147 3.386 1.00 0.00 C ATOM 0 H LEU A 97 -6.384 -3.372 1.194 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.262 -2.044 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.992 -3.144 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.459 -2.357 2.524 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.616 -0.421 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.770 -0.535 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.741 -2.026 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.155 -2.006 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.464 0.735 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.850 -0.730 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.218 0.163 2.455 1.00 0.00 H new ATOM 316 N SER A 98 -7.456 0.109 2.594 1.00 0.00 N ATOM 317 CA SER A 98 -7.683 1.367 1.826 1.00 0.00 C ATOM 318 C SER A 98 -6.618 2.403 2.193 1.00 0.00 C ATOM 319 O SER A 98 -5.862 2.221 3.129 1.00 0.00 O ATOM 320 CB SER A 98 -9.068 1.851 2.254 1.00 0.00 C ATOM 321 OG SER A 98 -9.983 0.765 2.195 1.00 0.00 O ATOM 0 H SER A 98 -7.870 0.092 3.526 1.00 0.00 H new ATOM 0 HA SER A 98 -7.622 1.211 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.029 2.254 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.401 2.658 1.602 1.00 0.00 H new ATOM 0 HG SER A 98 -10.872 1.071 2.471 1.00 0.00 H new ATOM 327 N PHE A 99 -6.559 3.489 1.464 1.00 0.00 N ATOM 328 CA PHE A 99 -5.545 4.547 1.770 1.00 0.00 C ATOM 329 C PHE A 99 -5.947 5.882 1.131 1.00 0.00 C ATOM 330 O PHE A 99 -7.067 6.047 0.679 1.00 0.00 O ATOM 331 CB PHE A 99 -4.208 4.036 1.208 1.00 0.00 C ATOM 332 CG PHE A 99 -4.363 3.542 -0.217 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.397 4.457 -1.275 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.447 2.168 -0.478 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.520 4.000 -2.595 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.566 1.711 -1.798 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.602 2.627 -2.856 1.00 0.00 C ATOM 0 H PHE A 99 -7.168 3.690 0.671 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.469 4.730 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.468 4.836 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.832 3.229 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.328 5.516 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.420 1.461 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.551 4.707 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.630 0.652 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.693 2.275 -3.873 1.00 0.00 H new ATOM 347 N GLN A 100 -5.055 6.850 1.124 1.00 0.00 N ATOM 348 CA GLN A 100 -5.408 8.186 0.554 1.00 0.00 C ATOM 349 C GLN A 100 -4.459 8.613 -0.576 1.00 0.00 C ATOM 350 O GLN A 100 -3.553 7.904 -0.964 1.00 0.00 O ATOM 351 CB GLN A 100 -5.308 9.158 1.738 1.00 0.00 C ATOM 352 CG GLN A 100 -6.633 9.906 1.903 1.00 0.00 C ATOM 353 CD GLN A 100 -6.890 10.169 3.388 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.532 11.210 3.903 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.498 9.264 4.103 1.00 0.00 N ATOM 0 H GLN A 100 -4.105 6.769 1.487 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.400 8.167 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.071 8.611 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.497 9.867 1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.601 10.848 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.449 9.320 1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.799 8.390 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.673 9.430 5.094 1.00 0.00 H new ATOM 364 N LYS A 101 -4.725 9.767 -1.127 1.00 0.00 N ATOM 365 CA LYS A 101 -3.924 10.310 -2.276 1.00 0.00 C ATOM 366 C LYS A 101 -2.447 10.540 -1.971 1.00 0.00 C ATOM 367 O LYS A 101 -1.631 10.602 -2.870 1.00 0.00 O ATOM 368 CB LYS A 101 -4.588 11.631 -2.609 1.00 0.00 C ATOM 369 CG LYS A 101 -4.035 12.159 -3.923 1.00 0.00 C ATOM 370 CD LYS A 101 -5.151 12.862 -4.691 1.00 0.00 C ATOM 371 CE LYS A 101 -6.132 11.817 -5.235 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.192 12.605 -5.923 1.00 0.00 N ATOM 0 H LYS A 101 -5.484 10.376 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.920 9.587 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.667 11.499 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.409 12.352 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.215 12.852 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.629 11.339 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.673 13.561 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.732 13.445 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.638 11.133 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.550 11.211 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.902 11.958 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.650 13.242 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.766 13.166 -6.688 1.00 0.00 H new ATOM 386 N GLY A 102 -2.108 10.701 -0.742 1.00 0.00 N ATOM 387 CA GLY A 102 -0.681 10.958 -0.379 1.00 0.00 C ATOM 388 C GLY A 102 -0.351 10.211 0.903 1.00 0.00 C ATOM 389 O GLY A 102 0.281 10.736 1.798 1.00 0.00 O ATOM 0 H GLY A 102 -2.754 10.668 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.023 10.631 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.514 12.027 -0.245 1.00 0.00 H new ATOM 393 N ASP A 103 -0.788 8.986 0.995 1.00 0.00 N ATOM 394 CA ASP A 103 -0.512 8.185 2.238 1.00 0.00 C ATOM 395 C ASP A 103 0.798 7.401 2.118 1.00 0.00 C ATOM 396 O ASP A 103 1.359 7.272 1.052 1.00 0.00 O ATOM 397 CB ASP A 103 -1.699 7.233 2.396 1.00 0.00 C ATOM 398 CG ASP A 103 -2.782 7.900 3.247 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.928 9.108 3.146 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.447 7.191 3.985 1.00 0.00 O ATOM 0 H ASP A 103 -1.321 8.501 0.273 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.400 8.836 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.101 6.971 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.374 6.305 2.866 1.00 0.00 H new ATOM 405 N GLN A 104 1.273 6.863 3.212 1.00 0.00 N ATOM 406 CA GLN A 104 2.527 6.066 3.188 1.00 0.00 C ATOM 407 C GLN A 104 2.261 4.670 3.747 1.00 0.00 C ATOM 408 O GLN A 104 1.714 4.514 4.822 1.00 0.00 O ATOM 409 CB GLN A 104 3.510 6.819 4.088 1.00 0.00 C ATOM 410 CG GLN A 104 4.310 7.819 3.251 1.00 0.00 C ATOM 411 CD GLN A 104 5.749 7.876 3.770 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.240 8.930 4.122 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.449 6.775 3.833 1.00 0.00 N ATOM 0 H GLN A 104 0.837 6.946 4.130 1.00 0.00 H new ATOM 0 HA GLN A 104 2.918 5.947 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.969 7.341 4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.185 6.115 4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.301 7.522 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.852 8.806 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.036 5.890 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.409 6.800 4.178 1.00 0.00 H new ATOM 422 N MET A 105 2.650 3.660 3.021 1.00 0.00 N ATOM 423 CA MET A 105 2.438 2.262 3.491 1.00 0.00 C ATOM 424 C MET A 105 3.692 1.446 3.205 1.00 0.00 C ATOM 425 O MET A 105 4.390 1.689 2.238 1.00 0.00 O ATOM 426 CB MET A 105 1.252 1.734 2.675 1.00 0.00 C ATOM 427 CG MET A 105 0.016 2.617 2.912 1.00 0.00 C ATOM 428 SD MET A 105 -0.273 3.684 1.473 1.00 0.00 S ATOM 429 CE MET A 105 -1.169 2.478 0.464 1.00 0.00 C ATOM 0 H MET A 105 3.110 3.743 2.114 1.00 0.00 H new ATOM 0 HA MET A 105 2.239 2.202 4.561 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.505 1.725 1.615 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.034 0.705 2.959 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.858 1.992 3.092 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.161 3.227 3.804 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.540 2.963 -0.439 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.498 1.664 0.189 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.009 2.080 1.033 1.00 0.00 H new ATOM 439 N VAL A 106 3.983 0.482 4.032 1.00 0.00 N ATOM 440 CA VAL A 106 5.192 -0.355 3.801 1.00 0.00 C ATOM 441 C VAL A 106 4.763 -1.604 3.042 1.00 0.00 C ATOM 442 O VAL A 106 3.627 -2.010 3.108 1.00 0.00 O ATOM 443 CB VAL A 106 5.727 -0.724 5.188 1.00 0.00 C ATOM 444 CG1 VAL A 106 7.049 -1.474 5.045 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.957 0.544 6.019 1.00 0.00 C ATOM 0 H VAL A 106 3.436 0.238 4.858 1.00 0.00 H new ATOM 0 HA VAL A 106 5.959 0.159 3.222 1.00 0.00 H new ATOM 0 HB VAL A 106 4.995 -1.357 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.428 -1.735 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.891 -2.383 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.774 -0.840 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.337 0.270 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.682 1.183 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.015 1.082 6.131 1.00 0.00 H new ATOM 455 N VAL A 107 5.651 -2.212 2.322 1.00 0.00 N ATOM 456 CA VAL A 107 5.274 -3.434 1.545 1.00 0.00 C ATOM 457 C VAL A 107 5.604 -4.699 2.337 1.00 0.00 C ATOM 458 O VAL A 107 6.632 -4.804 2.979 1.00 0.00 O ATOM 459 CB VAL A 107 6.071 -3.378 0.235 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.690 -4.569 -0.643 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.732 -2.086 -0.508 1.00 0.00 C ATOM 0 H VAL A 107 6.625 -1.923 2.232 1.00 0.00 H new ATOM 0 HA VAL A 107 4.203 -3.462 1.346 1.00 0.00 H new ATOM 0 HB VAL A 107 7.138 -3.410 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.256 -4.530 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.919 -5.496 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.623 -4.531 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.297 -2.043 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.665 -2.063 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.992 -1.230 0.114 1.00 0.00 H new ATOM 471 N LEU A 108 4.736 -5.662 2.263 1.00 0.00 N ATOM 472 CA LEU A 108 4.950 -6.953 2.971 1.00 0.00 C ATOM 473 C LEU A 108 5.532 -7.975 1.988 1.00 0.00 C ATOM 474 O LEU A 108 6.237 -8.889 2.367 1.00 0.00 O ATOM 475 CB LEU A 108 3.544 -7.403 3.393 1.00 0.00 C ATOM 476 CG LEU A 108 3.062 -6.623 4.621 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.279 -5.396 4.169 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.144 -7.523 5.460 1.00 0.00 C ATOM 0 H LEU A 108 3.868 -5.610 1.731 1.00 0.00 H new ATOM 0 HA LEU A 108 5.632 -6.861 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.848 -7.255 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.552 -8.470 3.616 1.00 0.00 H new ATOM 0 HG LEU A 108 3.921 -6.310 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.936 -4.841 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.921 -4.757 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.419 -5.711 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.797 -6.974 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.287 -7.828 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.695 -8.407 5.781 1.00 0.00 H new ATOM 490 N GLU A 109 5.233 -7.813 0.722 1.00 0.00 N ATOM 491 CA GLU A 109 5.749 -8.758 -0.312 1.00 0.00 C ATOM 492 C GLU A 109 5.783 -8.073 -1.682 1.00 0.00 C ATOM 493 O GLU A 109 5.290 -6.975 -1.847 1.00 0.00 O ATOM 494 CB GLU A 109 4.750 -9.914 -0.325 1.00 0.00 C ATOM 495 CG GLU A 109 5.162 -10.959 0.713 1.00 0.00 C ATOM 496 CD GLU A 109 4.414 -12.267 0.445 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.397 -12.692 -0.699 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.869 -12.818 1.386 1.00 0.00 O ATOM 0 H GLU A 109 4.649 -7.060 0.360 1.00 0.00 H new ATOM 0 HA GLU A 109 6.763 -9.094 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.748 -9.545 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.714 -10.366 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.238 -11.127 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.937 -10.598 1.717 1.00 0.00 H new ATOM 505 N GLU A 110 6.339 -8.727 -2.669 1.00 0.00 N ATOM 506 CA GLU A 110 6.388 -8.129 -4.041 1.00 0.00 C ATOM 507 C GLU A 110 6.112 -9.209 -5.094 1.00 0.00 C ATOM 508 O GLU A 110 7.021 -9.848 -5.590 1.00 0.00 O ATOM 509 CB GLU A 110 7.812 -7.593 -4.189 1.00 0.00 C ATOM 510 CG GLU A 110 7.946 -6.276 -3.421 1.00 0.00 C ATOM 511 CD GLU A 110 8.994 -5.383 -4.094 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.162 -5.497 -5.298 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.610 -4.597 -3.393 1.00 0.00 O ATOM 0 H GLU A 110 6.763 -9.651 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 110 5.641 -7.347 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.527 -8.322 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.045 -7.437 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.985 -5.763 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.234 -6.475 -2.389 1.00 0.00 H new ATOM 520 N SER A 111 4.865 -9.414 -5.436 1.00 0.00 N ATOM 521 CA SER A 111 4.521 -10.449 -6.455 1.00 0.00 C ATOM 522 C SER A 111 4.295 -9.795 -7.822 1.00 0.00 C ATOM 523 O SER A 111 5.074 -9.971 -8.739 1.00 0.00 O ATOM 524 CB SER A 111 3.228 -11.086 -5.945 1.00 0.00 C ATOM 525 OG SER A 111 2.697 -11.942 -6.948 1.00 0.00 O ATOM 0 H SER A 111 4.068 -8.907 -5.051 1.00 0.00 H new ATOM 0 HA SER A 111 5.316 -11.183 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.423 -11.652 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.504 -10.312 -5.691 1.00 0.00 H new ATOM 0 HG SER A 111 1.869 -12.353 -6.623 1.00 0.00 H new ATOM 531 N GLY A 112 3.234 -9.041 -7.957 1.00 0.00 N ATOM 532 CA GLY A 112 2.945 -8.368 -9.259 1.00 0.00 C ATOM 533 C GLY A 112 1.458 -8.010 -9.327 1.00 0.00 C ATOM 534 O GLY A 112 0.635 -8.636 -8.692 1.00 0.00 O ATOM 0 H GLY A 112 2.553 -8.862 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.552 -7.468 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.211 -9.025 -10.087 1.00 0.00 H new ATOM 538 N GLU A 113 1.111 -7.007 -10.103 1.00 0.00 N ATOM 539 CA GLU A 113 -0.326 -6.579 -10.234 1.00 0.00 C ATOM 540 C GLU A 113 -0.846 -6.036 -8.895 1.00 0.00 C ATOM 541 O GLU A 113 -1.033 -4.844 -8.735 1.00 0.00 O ATOM 542 CB GLU A 113 -1.118 -7.826 -10.671 1.00 0.00 C ATOM 543 CG GLU A 113 -2.063 -7.463 -11.820 1.00 0.00 C ATOM 544 CD GLU A 113 -2.894 -8.690 -12.203 1.00 0.00 C ATOM 545 OE1 GLU A 113 -2.383 -9.520 -12.935 1.00 0.00 O ATOM 546 OE2 GLU A 113 -4.027 -8.777 -11.757 1.00 0.00 O ATOM 0 H GLU A 113 1.769 -6.459 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.436 -5.778 -10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.432 -8.612 -10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.688 -8.220 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.719 -6.645 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.491 -7.115 -12.680 1.00 0.00 H new ATOM 553 N TRP A 114 -1.073 -6.895 -7.934 1.00 0.00 N ATOM 554 CA TRP A 114 -1.570 -6.431 -6.605 1.00 0.00 C ATOM 555 C TRP A 114 -0.462 -6.566 -5.557 1.00 0.00 C ATOM 556 O TRP A 114 0.114 -7.626 -5.390 1.00 0.00 O ATOM 557 CB TRP A 114 -2.739 -7.357 -6.269 1.00 0.00 C ATOM 558 CG TRP A 114 -4.008 -6.768 -6.795 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.650 -7.176 -7.913 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.798 -5.671 -6.247 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.786 -6.405 -8.083 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.922 -5.463 -7.083 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.651 -4.847 -5.115 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.867 -4.473 -6.805 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.599 -3.849 -4.833 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.705 -3.663 -5.676 1.00 0.00 C ATOM 0 H TRP A 114 -0.935 -7.902 -8.014 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.874 -5.384 -6.620 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.574 -8.342 -6.706 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.809 -7.495 -5.190 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.328 -7.973 -8.566 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.444 -6.519 -8.854 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.804 -4.983 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.717 -4.334 -7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.476 -3.222 -3.963 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.431 -2.895 -5.453 1.00 0.00 H new ATOM 577 N TRP A 115 -0.158 -5.504 -4.855 1.00 0.00 N ATOM 578 CA TRP A 115 0.916 -5.569 -3.816 1.00 0.00 C ATOM 579 C TRP A 115 0.299 -5.558 -2.417 1.00 0.00 C ATOM 580 O TRP A 115 -0.659 -4.852 -2.160 1.00 0.00 O ATOM 581 CB TRP A 115 1.759 -4.301 -4.019 1.00 0.00 C ATOM 582 CG TRP A 115 2.435 -4.289 -5.368 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.477 -5.315 -6.260 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.182 -3.196 -5.977 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.203 -4.916 -7.369 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.657 -3.617 -7.243 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.490 -1.888 -5.555 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.410 -2.772 -8.060 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.248 -1.035 -6.374 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.706 -1.476 -7.624 1.00 0.00 C ATOM 0 H TRP A 115 -0.607 -4.594 -4.956 1.00 0.00 H new ATOM 0 HA TRP A 115 1.510 -6.478 -3.907 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.122 -3.422 -3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.512 -4.236 -3.234 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.018 -6.283 -6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.381 -5.508 -8.180 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.141 -1.538 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.761 -3.116 -9.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.479 -0.035 -6.039 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.287 -0.815 -8.250 1.00 0.00 H new ATOM 601 N LYS A 116 0.854 -6.319 -1.508 1.00 0.00 N ATOM 602 CA LYS A 116 0.313 -6.346 -0.113 1.00 0.00 C ATOM 603 C LYS A 116 1.143 -5.410 0.767 1.00 0.00 C ATOM 604 O LYS A 116 2.311 -5.653 0.992 1.00 0.00 O ATOM 605 CB LYS A 116 0.464 -7.799 0.353 1.00 0.00 C ATOM 606 CG LYS A 116 -0.856 -8.278 0.958 1.00 0.00 C ATOM 607 CD LYS A 116 -0.644 -9.617 1.663 1.00 0.00 C ATOM 608 CE LYS A 116 -1.795 -9.865 2.641 1.00 0.00 C ATOM 609 NZ LYS A 116 -2.995 -10.066 1.781 1.00 0.00 N ATOM 0 H LYS A 116 1.659 -6.924 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.725 -6.017 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.744 -8.435 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.263 -7.875 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.232 -7.539 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.609 -8.383 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.595 -10.422 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.307 -9.613 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.604 -10.740 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.930 -9.019 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.695 -9.323 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.717 -10.018 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.412 -10.998 1.980 1.00 0.00 H new ATOM 623 N ALA A 117 0.560 -4.342 1.257 1.00 0.00 N ATOM 624 CA ALA A 117 1.343 -3.388 2.103 1.00 0.00 C ATOM 625 C ALA A 117 0.617 -3.053 3.414 1.00 0.00 C ATOM 626 O ALA A 117 -0.566 -3.299 3.575 1.00 0.00 O ATOM 627 CB ALA A 117 1.484 -2.134 1.244 1.00 0.00 C ATOM 0 H ALA A 117 -0.418 -4.091 1.109 1.00 0.00 H new ATOM 0 HA ALA A 117 2.303 -3.815 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.049 -1.379 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.009 -2.382 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.495 -1.744 1.004 1.00 0.00 H new ATOM 633 N ARG A 118 1.334 -2.482 4.351 1.00 0.00 N ATOM 634 CA ARG A 118 0.735 -2.115 5.652 1.00 0.00 C ATOM 635 C ARG A 118 0.689 -0.589 5.787 1.00 0.00 C ATOM 636 O ARG A 118 1.695 0.086 5.681 1.00 0.00 O ATOM 637 CB ARG A 118 1.674 -2.754 6.689 1.00 0.00 C ATOM 638 CG ARG A 118 1.345 -2.277 8.114 1.00 0.00 C ATOM 639 CD ARG A 118 2.636 -1.864 8.830 1.00 0.00 C ATOM 640 NE ARG A 118 2.264 -1.721 10.274 1.00 0.00 N ATOM 641 CZ ARG A 118 3.185 -1.538 11.202 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.459 -1.437 10.897 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.822 -1.450 12.452 1.00 0.00 N ATOM 0 H ARG A 118 2.324 -2.255 4.258 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.291 -2.461 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.589 -3.840 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.707 -2.503 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.653 -1.435 8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.848 -3.073 8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.415 -2.614 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.024 -0.927 8.430 1.00 0.00 H new ATOM 0 HE ARG A 118 1.282 -1.766 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.757 -1.500 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.150 -1.296 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.836 -1.523 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.524 -1.309 13.178 1.00 0.00 H new ATOM 657 N SER A 119 -0.478 -0.052 6.032 1.00 0.00 N ATOM 658 CA SER A 119 -0.611 1.424 6.186 1.00 0.00 C ATOM 659 C SER A 119 -0.150 1.839 7.583 1.00 0.00 C ATOM 660 O SER A 119 -0.761 1.480 8.578 1.00 0.00 O ATOM 661 CB SER A 119 -2.101 1.713 6.006 1.00 0.00 C ATOM 662 OG SER A 119 -2.285 3.097 5.740 1.00 0.00 O ATOM 0 H SER A 119 -1.347 -0.576 6.132 1.00 0.00 H new ATOM 0 HA SER A 119 -0.005 1.974 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.502 1.117 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.649 1.428 6.904 1.00 0.00 H new ATOM 0 HG SER A 119 -3.240 3.283 5.623 1.00 0.00 H new ATOM 668 N LEU A 120 0.923 2.589 7.662 1.00 0.00 N ATOM 669 CA LEU A 120 1.438 3.036 8.992 1.00 0.00 C ATOM 670 C LEU A 120 0.426 3.967 9.658 1.00 0.00 C ATOM 671 O LEU A 120 0.357 4.056 10.869 1.00 0.00 O ATOM 672 CB LEU A 120 2.737 3.789 8.696 1.00 0.00 C ATOM 673 CG LEU A 120 3.814 2.800 8.249 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.916 3.552 7.501 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.413 2.109 9.476 1.00 0.00 C ATOM 0 H LEU A 120 1.465 2.911 6.860 1.00 0.00 H new ATOM 0 HA LEU A 120 1.603 2.198 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.568 4.534 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.068 4.326 9.585 1.00 0.00 H new ATOM 0 HG LEU A 120 3.371 2.053 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.685 2.848 7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.491 4.046 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.359 4.299 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.181 1.404 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.857 2.856 10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.629 1.574 10.011 1.00 0.00 H new ATOM 687 N ALA A 121 -0.365 4.663 8.874 1.00 0.00 N ATOM 688 CA ALA A 121 -1.387 5.590 9.459 1.00 0.00 C ATOM 689 C ALA A 121 -2.293 4.828 10.433 1.00 0.00 C ATOM 690 O ALA A 121 -2.848 5.398 11.354 1.00 0.00 O ATOM 691 CB ALA A 121 -2.194 6.104 8.264 1.00 0.00 C ATOM 0 H ALA A 121 -0.347 4.629 7.855 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.931 6.406 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.965 6.791 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.530 6.624 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.663 5.263 7.753 1.00 0.00 H new ATOM 697 N THR A 122 -2.431 3.540 10.238 1.00 0.00 N ATOM 698 CA THR A 122 -3.284 2.723 11.150 1.00 0.00 C ATOM 699 C THR A 122 -2.620 1.367 11.447 1.00 0.00 C ATOM 700 O THR A 122 -3.236 0.485 12.014 1.00 0.00 O ATOM 701 CB THR A 122 -4.593 2.521 10.387 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.307 2.211 9.030 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.430 3.799 10.455 1.00 0.00 C ATOM 0 H THR A 122 -1.987 3.019 9.482 1.00 0.00 H new ATOM 0 HA THR A 122 -3.438 3.212 12.112 1.00 0.00 H new ATOM 0 HB THR A 122 -5.152 1.700 10.837 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.146 2.080 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.363 3.652 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.651 4.034 11.496 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.874 4.622 10.007 1.00 0.00 H new ATOM 711 N ARG A 123 -1.366 1.188 11.074 1.00 0.00 N ATOM 712 CA ARG A 123 -0.664 -0.116 11.332 1.00 0.00 C ATOM 713 C ARG A 123 -1.491 -1.291 10.800 1.00 0.00 C ATOM 714 O ARG A 123 -1.429 -2.390 11.319 1.00 0.00 O ATOM 715 CB ARG A 123 -0.522 -0.204 12.852 1.00 0.00 C ATOM 716 CG ARG A 123 0.312 0.980 13.352 1.00 0.00 C ATOM 717 CD ARG A 123 0.993 0.620 14.680 1.00 0.00 C ATOM 718 NE ARG A 123 0.457 1.599 15.694 1.00 0.00 N ATOM 719 CZ ARG A 123 0.572 2.906 15.554 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.294 3.428 14.592 1.00 0.00 N ATOM 721 NH2 ARG A 123 -0.008 3.695 16.416 1.00 0.00 N ATOM 0 H ARG A 123 -0.800 1.892 10.601 1.00 0.00 H new ATOM 0 HA ARG A 123 0.302 -0.161 10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.506 -0.195 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.044 -1.143 13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.064 1.245 12.609 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.326 1.854 13.486 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.767 -0.406 14.970 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.077 0.697 14.597 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.014 1.236 16.523 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.781 2.821 13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.369 4.441 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.544 3.300 17.189 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.074 4.707 16.317 1.00 0.00 H new ATOM 735 N LYS A 124 -2.246 -1.068 9.755 1.00 0.00 N ATOM 736 CA LYS A 124 -3.067 -2.172 9.169 1.00 0.00 C ATOM 737 C LYS A 124 -2.387 -2.676 7.899 1.00 0.00 C ATOM 738 O LYS A 124 -1.342 -2.189 7.536 1.00 0.00 O ATOM 739 CB LYS A 124 -4.418 -1.539 8.841 1.00 0.00 C ATOM 740 CG LYS A 124 -5.138 -1.164 10.139 1.00 0.00 C ATOM 741 CD LYS A 124 -6.632 -0.989 9.864 1.00 0.00 C ATOM 742 CE LYS A 124 -7.431 -1.428 11.093 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.758 -0.768 10.944 1.00 0.00 N ATOM 0 H LYS A 124 -2.330 -0.169 9.281 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.181 -3.020 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.275 -0.652 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.027 -2.235 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.984 -1.940 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.722 -0.242 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.850 0.053 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.925 -1.580 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.532 -2.513 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.938 -1.120 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.364 -1.021 11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.631 0.264 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.206 -1.085 10.061 1.00 0.00 H new ATOM 757 N GLU A 125 -2.970 -3.634 7.221 1.00 0.00 N ATOM 758 CA GLU A 125 -2.331 -4.151 5.964 1.00 0.00 C ATOM 759 C GLU A 125 -3.362 -4.773 5.027 1.00 0.00 C ATOM 760 O GLU A 125 -4.344 -5.352 5.452 1.00 0.00 O ATOM 761 CB GLU A 125 -1.263 -5.190 6.374 1.00 0.00 C ATOM 762 CG GLU A 125 -1.695 -6.010 7.599 1.00 0.00 C ATOM 763 CD GLU A 125 -2.944 -6.828 7.267 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.908 -7.561 6.292 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.916 -6.710 7.995 1.00 0.00 O ATOM 0 H GLU A 125 -3.852 -4.079 7.477 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.872 -3.327 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.072 -5.862 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.326 -4.679 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.887 -6.674 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.898 -5.345 8.439 1.00 0.00 H new ATOM 772 N GLY A 126 -3.129 -4.656 3.743 1.00 0.00 N ATOM 773 CA GLY A 126 -4.074 -5.236 2.753 1.00 0.00 C ATOM 774 C GLY A 126 -3.486 -5.154 1.345 1.00 0.00 C ATOM 775 O GLY A 126 -2.288 -5.093 1.160 1.00 0.00 O ATOM 0 H GLY A 126 -2.321 -4.181 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.284 -6.275 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.023 -4.701 2.790 1.00 0.00 H new ATOM 779 N TYR A 127 -4.339 -5.156 0.359 1.00 0.00 N ATOM 780 CA TYR A 127 -3.888 -5.101 -1.061 1.00 0.00 C ATOM 781 C TYR A 127 -3.876 -3.651 -1.561 1.00 0.00 C ATOM 782 O TYR A 127 -4.553 -2.800 -1.020 1.00 0.00 O ATOM 783 CB TYR A 127 -4.947 -5.912 -1.817 1.00 0.00 C ATOM 784 CG TYR A 127 -4.979 -7.337 -1.308 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.934 -8.221 -1.608 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.062 -7.774 -0.535 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.974 -9.538 -1.133 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.102 -9.088 -0.061 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.059 -9.973 -0.358 1.00 0.00 C ATOM 790 OH TYR A 127 -5.099 -11.271 0.110 1.00 0.00 O ATOM 0 H TYR A 127 -5.351 -5.194 0.480 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.879 -5.490 -1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.927 -5.451 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.727 -5.905 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.098 -7.887 -2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.868 -7.094 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.168 -10.219 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.939 -9.421 0.535 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.918 -11.406 0.630 1.00 0.00 H new ATOM 800 N ILE A 128 -3.108 -3.370 -2.590 1.00 0.00 N ATOM 801 CA ILE A 128 -3.042 -1.969 -3.128 1.00 0.00 C ATOM 802 C ILE A 128 -2.627 -1.972 -4.618 1.00 0.00 C ATOM 803 O ILE A 128 -1.612 -2.538 -4.966 1.00 0.00 O ATOM 804 CB ILE A 128 -1.992 -1.228 -2.279 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.706 -2.059 -2.143 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.562 -0.952 -0.888 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.495 -1.123 -1.998 1.00 0.00 C ATOM 0 H ILE A 128 -2.525 -4.048 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.015 -1.482 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.749 -0.290 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.775 -2.716 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.579 -2.698 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.819 -0.428 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.457 -0.336 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.818 -1.895 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.406 -1.713 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.567 -0.485 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.368 -0.503 -1.110 1.00 0.00 H new ATOM 819 N PRO A 129 -3.427 -1.343 -5.464 1.00 0.00 N ATOM 820 CA PRO A 129 -3.103 -1.298 -6.919 1.00 0.00 C ATOM 821 C PRO A 129 -1.774 -0.570 -7.154 1.00 0.00 C ATOM 822 O PRO A 129 -1.633 0.600 -6.856 1.00 0.00 O ATOM 823 CB PRO A 129 -4.267 -0.524 -7.545 1.00 0.00 C ATOM 824 CG PRO A 129 -5.350 -0.528 -6.515 1.00 0.00 C ATOM 825 CD PRO A 129 -4.682 -0.634 -5.172 1.00 0.00 C ATOM 0 HA PRO A 129 -2.987 -2.292 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.970 0.494 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.602 -0.997 -8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.945 0.383 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.030 -1.365 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.496 0.349 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.297 -1.185 -4.461 1.00 0.00 H new ATOM 833 N SER A 130 -0.804 -1.267 -7.687 1.00 0.00 N ATOM 834 CA SER A 130 0.537 -0.648 -7.949 1.00 0.00 C ATOM 835 C SER A 130 0.425 0.632 -8.789 1.00 0.00 C ATOM 836 O SER A 130 1.208 1.549 -8.627 1.00 0.00 O ATOM 837 CB SER A 130 1.314 -1.705 -8.735 1.00 0.00 C ATOM 838 OG SER A 130 1.142 -2.973 -8.116 1.00 0.00 O ATOM 0 H SER A 130 -0.881 -2.248 -7.956 1.00 0.00 H new ATOM 0 HA SER A 130 1.021 -0.363 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.961 -1.740 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.372 -1.445 -8.769 1.00 0.00 H new ATOM 0 HG SER A 130 2.003 -3.287 -7.769 1.00 0.00 H new ATOM 844 N ASN A 131 -0.512 0.692 -9.707 1.00 0.00 N ATOM 845 CA ASN A 131 -0.635 1.913 -10.574 1.00 0.00 C ATOM 846 C ASN A 131 -1.173 3.123 -9.789 1.00 0.00 C ATOM 847 O ASN A 131 -1.207 4.226 -10.299 1.00 0.00 O ATOM 848 CB ASN A 131 -1.597 1.518 -11.702 1.00 0.00 C ATOM 849 CG ASN A 131 -2.940 1.062 -11.125 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.002 0.098 -10.387 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.027 1.711 -11.443 1.00 0.00 N ATOM 0 H ASN A 131 -1.193 -0.044 -9.894 1.00 0.00 H new ATOM 0 HA ASN A 131 0.338 2.222 -10.956 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.750 2.365 -12.371 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.159 0.717 -12.298 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.928 1.409 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.975 2.520 -12.062 1.00 0.00 H new ATOM 858 N TYR A 132 -1.573 2.935 -8.554 1.00 0.00 N ATOM 859 CA TYR A 132 -2.084 4.081 -7.732 1.00 0.00 C ATOM 860 C TYR A 132 -1.073 4.411 -6.634 1.00 0.00 C ATOM 861 O TYR A 132 -1.440 4.908 -5.582 1.00 0.00 O ATOM 862 CB TYR A 132 -3.366 3.561 -7.072 1.00 0.00 C ATOM 863 CG TYR A 132 -4.582 3.832 -7.932 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.540 3.638 -9.320 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.766 4.273 -7.327 1.00 0.00 C ATOM 866 CE1 TYR A 132 -5.677 3.885 -10.098 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.904 4.518 -8.105 1.00 0.00 C ATOM 868 CZ TYR A 132 -6.860 4.324 -9.490 1.00 0.00 C ATOM 869 OH TYR A 132 -7.981 4.565 -10.256 1.00 0.00 O ATOM 0 H TYR A 132 -1.568 2.034 -8.077 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.251 4.973 -8.336 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.276 2.489 -6.894 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.494 4.036 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.629 3.297 -9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.801 4.424 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -5.642 3.737 -11.167 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -7.816 4.857 -7.636 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.714 4.862 -9.678 1.00 0.00 H new ATOM 879 N VAL A 133 0.181 4.096 -6.838 1.00 0.00 N ATOM 880 CA VAL A 133 1.183 4.339 -5.762 1.00 0.00 C ATOM 881 C VAL A 133 2.606 4.466 -6.315 1.00 0.00 C ATOM 882 O VAL A 133 2.875 4.192 -7.468 1.00 0.00 O ATOM 883 CB VAL A 133 1.047 3.093 -4.872 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.299 1.822 -5.694 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.040 3.133 -3.721 1.00 0.00 C ATOM 0 H VAL A 133 0.550 3.685 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 133 1.006 5.275 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 133 0.033 3.083 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.199 0.947 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.572 1.762 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.305 1.853 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.922 2.240 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.055 3.170 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.856 4.018 -3.112 1.00 0.00 H new ATOM 895 N ALA A 134 3.514 4.866 -5.468 1.00 0.00 N ATOM 896 CA ALA A 134 4.946 5.008 -5.876 1.00 0.00 C ATOM 897 C ALA A 134 5.824 4.172 -4.934 1.00 0.00 C ATOM 898 O ALA A 134 5.724 4.278 -3.726 1.00 0.00 O ATOM 899 CB ALA A 134 5.260 6.500 -5.733 1.00 0.00 C ATOM 0 H ALA A 134 3.324 5.105 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 134 5.133 4.661 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.297 6.682 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.600 7.075 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.107 6.807 -4.698 1.00 0.00 H new ATOM 905 N ARG A 135 6.654 3.315 -5.476 1.00 0.00 N ATOM 906 CA ARG A 135 7.507 2.442 -4.626 1.00 0.00 C ATOM 907 C ARG A 135 8.876 3.067 -4.327 1.00 0.00 C ATOM 908 O ARG A 135 9.676 3.287 -5.215 1.00 0.00 O ATOM 909 CB ARG A 135 7.679 1.179 -5.462 1.00 0.00 C ATOM 910 CG ARG A 135 8.386 0.110 -4.636 1.00 0.00 C ATOM 911 CD ARG A 135 7.554 -1.177 -4.621 1.00 0.00 C ATOM 912 NE ARG A 135 7.597 -1.690 -6.029 1.00 0.00 N ATOM 913 CZ ARG A 135 7.161 -2.898 -6.332 1.00 0.00 C ATOM 914 NH1 ARG A 135 6.664 -3.699 -5.418 1.00 0.00 N ATOM 915 NH2 ARG A 135 7.222 -3.307 -7.571 1.00 0.00 N ATOM 0 H ARG A 135 6.775 3.185 -6.481 1.00 0.00 H new ATOM 0 HA ARG A 135 7.052 2.267 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.706 0.814 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.257 1.401 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.373 -0.090 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.537 0.467 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.968 -1.905 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.530 -0.980 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 135 7.971 -1.094 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.608 -3.392 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.334 -4.628 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.604 -2.695 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.888 -4.239 -7.818 1.00 0.00 H new ATOM 929 N VAL A 136 9.155 3.309 -3.072 1.00 0.00 N ATOM 930 CA VAL A 136 10.481 3.876 -2.674 1.00 0.00 C ATOM 931 C VAL A 136 11.368 2.755 -2.093 1.00 0.00 C ATOM 932 O VAL A 136 10.914 1.911 -1.329 1.00 0.00 O ATOM 933 CB VAL A 136 10.186 4.961 -1.629 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.393 6.090 -2.286 1.00 0.00 C ATOM 935 CG2 VAL A 136 9.375 4.394 -0.462 1.00 0.00 C ATOM 0 H VAL A 136 8.515 3.136 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 136 11.020 4.302 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 136 11.134 5.336 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.181 6.863 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.976 6.517 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.455 5.696 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.180 5.184 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.429 4.001 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.938 3.593 0.017 1.00 0.00 H new ATOM 945 N ASP A 137 12.625 2.743 -2.471 1.00 0.00 N ATOM 946 CA ASP A 137 13.571 1.700 -1.995 1.00 0.00 C ATOM 947 C ASP A 137 15.009 2.221 -2.067 1.00 0.00 C ATOM 948 O ASP A 137 15.941 1.465 -2.271 1.00 0.00 O ATOM 949 CB ASP A 137 13.372 0.519 -2.947 1.00 0.00 C ATOM 950 CG ASP A 137 14.228 -0.662 -2.484 1.00 0.00 C ATOM 951 OD1 ASP A 137 13.945 -1.192 -1.422 1.00 0.00 O ATOM 952 OD2 ASP A 137 15.151 -1.015 -3.198 1.00 0.00 O ATOM 0 H ASP A 137 13.037 3.430 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 137 13.390 1.417 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 137 12.321 0.232 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 137 13.648 0.806 -3.962 1.00 0.00 H new ATOM 957 N SER A 138 15.194 3.506 -1.904 1.00 0.00 N ATOM 958 CA SER A 138 16.570 4.082 -1.966 1.00 0.00 C ATOM 959 C SER A 138 16.656 5.346 -1.106 1.00 0.00 C ATOM 960 O SER A 138 15.779 5.537 -0.280 1.00 0.00 O ATOM 961 CB SER A 138 16.792 4.419 -3.440 1.00 0.00 C ATOM 962 OG SER A 138 18.183 4.591 -3.679 1.00 0.00 O ATOM 0 H SER A 138 14.450 4.182 -1.730 1.00 0.00 H new ATOM 0 HA SER A 138 17.324 3.391 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 138 16.399 3.621 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 138 16.251 5.328 -3.702 1.00 0.00 H new ATOM 0 HG SER A 138 18.328 4.806 -4.624 1.00 0.00 H new TER 968 SER A 138