USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 505 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 86 LYS NZ :NH3+ 167:sc=-0.00306 (180deg=-0.182) USER MOD Set 1.2: A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -0.021 (180deg=-0.381) USER MOD Single : A 96 GLN : amide:sc= -1.43 K(o=-1.4,f=0.44) USER MOD Single : A 97 ASN : amide:sc= -4.02 X(o=-4,f=-4.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.228 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -2.74! C(o=-2.7!,f=-5.6!) USER MOD Single : A 115 LYS NZ :NH3+ -174:sc= 0.304 (180deg=0.286) USER MOD Single : A 117 THR OG1 : rot 95:sc= 1.13 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl -165:sc= -0.734 (180deg=-1.7) USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= -0.0229 (180deg=-0.304) USER MOD Single : A 135 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1.6!) USER MOD Single : A 137 ASN : amide:sc= -2.62! C(o=-2.6!,f=-13!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 160:sc= -0.496 (180deg=-1.85) USER MOD Single : A 146 MET CE :methyl 158:sc= -0.0893 (180deg=-0.924) USER MOD Single : A 147 THR OG1 : rot 70:sc= 0.333 USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 83 -15.566 -4.845 4.949 1.00 0.00 N ATOM 41 CA GLU A 83 -15.220 -4.749 6.361 1.00 0.00 C ATOM 42 C GLU A 83 -13.731 -5.049 6.507 1.00 0.00 C ATOM 43 O GLU A 83 -12.930 -4.159 6.811 1.00 0.00 O ATOM 44 CB GLU A 83 -16.046 -5.734 7.185 1.00 0.00 C ATOM 45 CG GLU A 83 -15.765 -5.517 8.670 1.00 0.00 C ATOM 46 CD GLU A 83 -16.624 -6.461 9.500 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.556 -7.022 8.947 1.00 0.00 O ATOM 48 OE2 GLU A 83 -16.338 -6.611 10.676 1.00 0.00 O ATOM 0 HA GLU A 83 -15.438 -3.747 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.108 -5.595 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.799 -6.757 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.710 -5.692 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.977 -4.483 8.942 1.00 0.00 H new ATOM 55 N GLU A 84 -13.355 -6.308 6.298 1.00 0.00 N ATOM 56 CA GLU A 84 -11.955 -6.694 6.411 1.00 0.00 C ATOM 57 C GLU A 84 -11.065 -5.676 5.694 1.00 0.00 C ATOM 58 O GLU A 84 -9.940 -5.419 6.120 1.00 0.00 O ATOM 59 CB GLU A 84 -11.744 -8.085 5.805 1.00 0.00 C ATOM 60 CG GLU A 84 -12.555 -9.112 6.596 1.00 0.00 C ATOM 61 CD GLU A 84 -12.373 -10.502 5.995 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.646 -10.615 5.021 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.961 -11.434 6.519 1.00 0.00 O ATOM 0 H GLU A 84 -13.991 -7.067 6.053 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.684 -6.719 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.052 -8.089 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.686 -8.346 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.236 -9.114 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.610 -8.839 6.586 1.00 0.00 H new ATOM 70 N LEU A 85 -11.566 -5.096 4.603 1.00 0.00 N ATOM 71 CA LEU A 85 -10.777 -4.118 3.863 1.00 0.00 C ATOM 72 C LEU A 85 -10.448 -2.917 4.754 1.00 0.00 C ATOM 73 O LEU A 85 -9.308 -2.457 4.789 1.00 0.00 O ATOM 74 CB LEU A 85 -11.546 -3.652 2.619 1.00 0.00 C ATOM 75 CG LEU A 85 -10.559 -3.210 1.530 1.00 0.00 C ATOM 76 CD1 LEU A 85 -11.338 -2.846 0.265 1.00 0.00 C ATOM 77 CD2 LEU A 85 -9.737 -1.997 2.010 1.00 0.00 C ATOM 0 H LEU A 85 -12.493 -5.282 4.221 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.845 -4.588 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.175 -4.460 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.209 -2.826 2.878 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.871 -4.028 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.642 -2.531 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.899 -3.715 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.029 -2.032 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.042 -1.696 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.409 -1.169 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.179 -2.268 2.906 1.00 0.00 H new ATOM 89 N LYS A 86 -11.440 -2.425 5.484 1.00 0.00 N ATOM 90 CA LYS A 86 -11.209 -1.297 6.375 1.00 0.00 C ATOM 91 C LYS A 86 -10.208 -1.676 7.463 1.00 0.00 C ATOM 92 O LYS A 86 -9.339 -0.876 7.823 1.00 0.00 O ATOM 93 CB LYS A 86 -12.524 -0.834 7.006 1.00 0.00 C ATOM 94 CG LYS A 86 -13.341 -0.044 5.980 1.00 0.00 C ATOM 95 CD LYS A 86 -14.649 0.420 6.622 1.00 0.00 C ATOM 96 CE LYS A 86 -15.351 1.411 5.693 1.00 0.00 C ATOM 97 NZ LYS A 86 -15.735 0.725 4.429 1.00 0.00 N ATOM 0 H LYS A 86 -12.396 -2.781 5.478 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.796 -0.475 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.094 -1.695 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.321 -0.213 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.771 0.816 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.551 -0.665 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.296 -0.436 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.447 0.889 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.237 1.818 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.692 2.252 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.397 1.325 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.885 0.553 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.192 -0.182 4.651 1.00 0.00 H new ATOM 111 N GLU A 87 -10.323 -2.894 7.984 1.00 0.00 N ATOM 112 CA GLU A 87 -9.408 -3.345 9.022 1.00 0.00 C ATOM 113 C GLU A 87 -8.009 -3.527 8.440 1.00 0.00 C ATOM 114 O GLU A 87 -7.034 -2.995 8.972 1.00 0.00 O ATOM 115 CB GLU A 87 -9.904 -4.662 9.612 1.00 0.00 C ATOM 116 CG GLU A 87 -8.997 -5.070 10.768 1.00 0.00 C ATOM 117 CD GLU A 87 -9.532 -6.331 11.438 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.409 -6.960 10.866 1.00 0.00 O ATOM 119 OE2 GLU A 87 -9.057 -6.650 12.516 1.00 0.00 O ATOM 0 H GLU A 87 -11.030 -3.576 7.709 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.367 -2.595 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.931 -4.553 9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.908 -5.438 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.986 -5.245 10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.937 -4.261 11.496 1.00 0.00 H new ATOM 126 N ALA A 88 -7.913 -4.277 7.349 1.00 0.00 N ATOM 127 CA ALA A 88 -6.620 -4.507 6.722 1.00 0.00 C ATOM 128 C ALA A 88 -5.934 -3.169 6.448 1.00 0.00 C ATOM 129 O ALA A 88 -4.748 -2.997 6.728 1.00 0.00 O ATOM 130 CB ALA A 88 -6.798 -5.281 5.415 1.00 0.00 C ATOM 0 H ALA A 88 -8.702 -4.729 6.887 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.999 -5.097 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.824 -5.447 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.270 -6.241 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.427 -4.707 4.735 1.00 0.00 H new ATOM 136 N PHE A 89 -6.688 -2.214 5.912 1.00 0.00 N ATOM 137 CA PHE A 89 -6.137 -0.899 5.630 1.00 0.00 C ATOM 138 C PHE A 89 -5.588 -0.275 6.909 1.00 0.00 C ATOM 139 O PHE A 89 -4.500 0.306 6.907 1.00 0.00 O ATOM 140 CB PHE A 89 -7.214 0.006 5.034 1.00 0.00 C ATOM 141 CG PHE A 89 -6.644 1.385 4.787 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.018 1.680 3.569 1.00 0.00 C ATOM 143 CD2 PHE A 89 -6.755 2.374 5.770 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.506 2.959 3.336 1.00 0.00 C ATOM 145 CE2 PHE A 89 -6.239 3.654 5.538 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.614 3.948 4.321 1.00 0.00 C ATOM 0 H PHE A 89 -7.672 -2.327 5.667 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.326 -1.007 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.582 -0.418 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.065 0.070 5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.931 0.918 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.239 2.150 6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.026 3.185 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.323 4.416 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.216 4.936 4.142 1.00 0.00 H new ATOM 156 N LYS A 90 -6.334 -0.402 8.001 1.00 0.00 N ATOM 157 CA LYS A 90 -5.894 0.148 9.275 1.00 0.00 C ATOM 158 C LYS A 90 -4.620 -0.549 9.752 1.00 0.00 C ATOM 159 O LYS A 90 -3.773 0.067 10.400 1.00 0.00 O ATOM 160 CB LYS A 90 -7.000 -0.008 10.322 1.00 0.00 C ATOM 161 CG LYS A 90 -6.589 0.689 11.621 1.00 0.00 C ATOM 162 CD LYS A 90 -7.732 0.594 12.635 1.00 0.00 C ATOM 163 CE LYS A 90 -7.337 1.317 13.923 1.00 0.00 C ATOM 164 NZ LYS A 90 -8.476 1.275 14.884 1.00 0.00 N ATOM 0 H LYS A 90 -7.237 -0.876 8.029 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.678 1.207 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.930 0.420 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.188 -1.065 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.690 0.225 12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.348 1.734 11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.637 1.037 12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.957 -0.451 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.458 0.845 14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.069 2.351 13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.209 1.766 15.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.303 1.744 14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.712 0.285 15.100 1.00 0.00 H new ATOM 178 N VAL A 91 -4.480 -1.833 9.431 1.00 0.00 N ATOM 179 CA VAL A 91 -3.290 -2.577 9.836 1.00 0.00 C ATOM 180 C VAL A 91 -2.136 -2.316 8.870 1.00 0.00 C ATOM 181 O VAL A 91 -0.967 -2.422 9.244 1.00 0.00 O ATOM 182 CB VAL A 91 -3.598 -4.072 9.899 1.00 0.00 C ATOM 183 CG1 VAL A 91 -2.322 -4.846 10.243 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.651 -4.325 10.982 1.00 0.00 C ATOM 0 H VAL A 91 -5.164 -2.373 8.900 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.992 -2.236 10.828 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.975 -4.406 8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.544 -5.912 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.568 -4.664 9.477 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.944 -4.513 11.210 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.874 -5.391 11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.269 -3.990 11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.560 -3.775 10.741 1.00 0.00 H new ATOM 194 N PHE A 92 -2.462 -1.965 7.631 1.00 0.00 N ATOM 195 CA PHE A 92 -1.425 -1.688 6.643 1.00 0.00 C ATOM 196 C PHE A 92 -0.615 -0.468 7.049 1.00 0.00 C ATOM 197 O PHE A 92 0.582 -0.388 6.768 1.00 0.00 O ATOM 198 CB PHE A 92 -2.042 -1.443 5.254 1.00 0.00 C ATOM 199 CG PHE A 92 -2.159 -2.746 4.498 1.00 0.00 C ATOM 200 CD1 PHE A 92 -2.488 -3.926 5.171 1.00 0.00 C ATOM 201 CD2 PHE A 92 -1.928 -2.771 3.117 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.588 -5.125 4.467 1.00 0.00 C ATOM 203 CE2 PHE A 92 -2.027 -3.968 2.413 1.00 0.00 C ATOM 204 CZ PHE A 92 -2.358 -5.148 3.086 1.00 0.00 C ATOM 0 H PHE A 92 -3.418 -1.867 7.290 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.772 -2.559 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.026 -0.986 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.424 -0.742 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.665 -3.909 6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.672 -1.860 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.843 -6.037 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.848 -3.985 1.348 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.436 -6.077 2.541 1.00 0.00 H new ATOM 214 N ASP A 93 -1.272 0.487 7.689 1.00 0.00 N ATOM 215 CA ASP A 93 -0.588 1.703 8.098 1.00 0.00 C ATOM 216 C ASP A 93 0.156 1.493 9.417 1.00 0.00 C ATOM 217 O ASP A 93 -0.290 1.953 10.465 1.00 0.00 O ATOM 218 CB ASP A 93 -1.603 2.841 8.253 1.00 0.00 C ATOM 219 CG ASP A 93 -0.896 4.193 8.187 1.00 0.00 C ATOM 220 OD1 ASP A 93 0.297 4.234 8.447 1.00 0.00 O ATOM 221 OD2 ASP A 93 -1.558 5.168 7.874 1.00 0.00 O ATOM 0 H ASP A 93 -2.262 0.446 7.933 1.00 0.00 H new ATOM 0 HA ASP A 93 0.140 1.963 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.355 2.777 7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.127 2.743 9.204 1.00 0.00 H new ATOM 226 N LYS A 94 1.286 0.794 9.364 1.00 0.00 N ATOM 227 CA LYS A 94 2.056 0.541 10.577 1.00 0.00 C ATOM 228 C LYS A 94 2.215 1.839 11.372 1.00 0.00 C ATOM 229 O LYS A 94 2.077 1.845 12.596 1.00 0.00 O ATOM 230 CB LYS A 94 3.433 -0.021 10.216 1.00 0.00 C ATOM 231 CG LYS A 94 4.185 -0.407 11.493 1.00 0.00 C ATOM 232 CD LYS A 94 5.541 -1.010 11.120 1.00 0.00 C ATOM 233 CE LYS A 94 6.314 -1.361 12.393 1.00 0.00 C ATOM 234 NZ LYS A 94 5.602 -2.445 13.126 1.00 0.00 N ATOM 0 H LYS A 94 1.683 0.399 8.511 1.00 0.00 H new ATOM 0 HA LYS A 94 1.525 -0.189 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.323 -0.892 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.004 0.720 9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.326 0.470 12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.601 -1.125 12.069 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.398 -1.903 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.112 -0.302 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.325 -1.682 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.409 -0.480 13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.253 -2.891 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.791 -2.043 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.265 -3.158 12.449 1.00 0.00 H new ATOM 248 N ASP A 95 2.505 2.933 10.678 1.00 0.00 N ATOM 249 CA ASP A 95 2.675 4.217 11.343 1.00 0.00 C ATOM 250 C ASP A 95 1.326 4.745 11.824 1.00 0.00 C ATOM 251 O ASP A 95 1.262 5.746 12.536 1.00 0.00 O ATOM 252 CB ASP A 95 3.293 5.228 10.379 1.00 0.00 C ATOM 253 CG ASP A 95 4.411 4.580 9.577 1.00 0.00 C ATOM 254 OD1 ASP A 95 5.310 4.029 10.194 1.00 0.00 O ATOM 255 OD2 ASP A 95 4.345 4.639 8.357 1.00 0.00 O ATOM 0 H ASP A 95 2.626 2.957 9.666 1.00 0.00 H new ATOM 0 HA ASP A 95 3.335 4.078 12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.528 5.612 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.683 6.080 10.936 1.00 0.00 H new ATOM 260 N GLN A 96 0.261 4.065 11.438 1.00 0.00 N ATOM 261 CA GLN A 96 -1.071 4.483 11.842 1.00 0.00 C ATOM 262 C GLN A 96 -1.310 5.942 11.449 1.00 0.00 C ATOM 263 O GLN A 96 -2.003 6.681 12.151 1.00 0.00 O ATOM 264 CB GLN A 96 -1.235 4.334 13.362 1.00 0.00 C ATOM 265 CG GLN A 96 -1.106 2.860 13.766 1.00 0.00 C ATOM 266 CD GLN A 96 -2.264 2.056 13.191 1.00 0.00 C ATOM 267 OE1 GLN A 96 -2.238 1.679 12.018 1.00 0.00 O ATOM 268 NE2 GLN A 96 -3.284 1.767 13.949 1.00 0.00 N ATOM 0 H GLN A 96 0.290 3.231 10.852 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.799 3.849 11.336 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.479 4.927 13.877 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.207 4.719 13.670 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.159 2.458 13.405 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.096 2.772 14.852 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.303 2.080 14.920 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.063 1.228 13.572 1.00 0.00 H new ATOM 277 N ASN A 97 -0.722 6.373 10.337 1.00 0.00 N ATOM 278 CA ASN A 97 -0.890 7.756 9.894 1.00 0.00 C ATOM 279 C ASN A 97 -2.151 7.911 9.049 1.00 0.00 C ATOM 280 O ASN A 97 -2.418 8.988 8.517 1.00 0.00 O ATOM 281 CB ASN A 97 0.322 8.186 9.063 1.00 0.00 C ATOM 282 CG ASN A 97 1.596 7.975 9.862 1.00 0.00 C ATOM 283 OD1 ASN A 97 2.666 7.787 9.276 1.00 0.00 O ATOM 284 ND2 ASN A 97 1.548 7.981 11.168 1.00 0.00 N ATOM 0 H ASN A 97 -0.134 5.797 9.734 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.979 8.385 10.780 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.363 7.611 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.228 9.235 8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.399 7.830 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.660 8.137 11.645 1.00 0.00 H new ATOM 291 N GLY A 98 -2.925 6.839 8.923 1.00 0.00 N ATOM 292 CA GLY A 98 -4.148 6.887 8.126 1.00 0.00 C ATOM 293 C GLY A 98 -3.828 6.844 6.633 1.00 0.00 C ATOM 294 O GLY A 98 -4.727 6.723 5.801 1.00 0.00 O ATOM 0 H GLY A 98 -2.732 5.936 9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.791 6.047 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.702 7.797 8.357 1.00 0.00 H new ATOM 298 N TYR A 99 -2.542 6.942 6.292 1.00 0.00 N ATOM 299 CA TYR A 99 -2.111 6.906 4.888 1.00 0.00 C ATOM 300 C TYR A 99 -1.031 5.845 4.698 1.00 0.00 C ATOM 301 O TYR A 99 -0.094 5.760 5.502 1.00 0.00 O ATOM 302 CB TYR A 99 -1.552 8.275 4.485 1.00 0.00 C ATOM 303 CG TYR A 99 -2.692 9.240 4.260 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.441 9.702 5.346 1.00 0.00 C ATOM 305 CD2 TYR A 99 -2.999 9.669 2.964 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.495 10.594 5.138 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.054 10.562 2.755 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.803 11.025 3.843 1.00 0.00 C ATOM 309 OH TYR A 99 -5.844 11.910 3.639 1.00 0.00 O ATOM 0 H TYR A 99 -1.781 7.047 6.964 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.969 6.661 4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.890 8.653 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.955 8.183 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.205 9.369 6.346 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.421 9.310 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.073 10.952 5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.291 10.894 1.755 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.923 12.107 2.682 1.00 0.00 H new ATOM 319 N ILE A 100 -1.134 5.046 3.632 1.00 0.00 N ATOM 320 CA ILE A 100 -0.120 4.024 3.388 1.00 0.00 C ATOM 321 C ILE A 100 1.070 4.665 2.671 1.00 0.00 C ATOM 322 O ILE A 100 0.911 5.265 1.600 1.00 0.00 O ATOM 323 CB ILE A 100 -0.680 2.883 2.533 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.111 2.541 2.979 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.221 1.654 2.695 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.572 1.262 2.275 1.00 0.00 C ATOM 0 H ILE A 100 -1.886 5.085 2.944 1.00 0.00 H new ATOM 0 HA ILE A 100 0.194 3.608 4.345 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.705 3.189 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.144 2.406 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.785 3.364 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.169 0.835 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.232 1.898 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.242 1.354 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.587 1.018 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.554 1.414 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.904 0.442 2.537 1.00 0.00 H new ATOM 338 N SER A 101 2.257 4.546 3.267 1.00 0.00 N ATOM 339 CA SER A 101 3.469 5.134 2.681 1.00 0.00 C ATOM 340 C SER A 101 4.286 4.071 1.955 1.00 0.00 C ATOM 341 O SER A 101 4.057 2.880 2.140 1.00 0.00 O ATOM 342 CB SER A 101 4.319 5.771 3.784 1.00 0.00 C ATOM 343 OG SER A 101 5.531 6.262 3.226 1.00 0.00 O ATOM 0 H SER A 101 2.408 4.053 4.147 1.00 0.00 H new ATOM 0 HA SER A 101 3.171 5.897 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.769 6.584 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.535 5.037 4.561 1.00 0.00 H new ATOM 0 HG SER A 101 6.074 6.671 3.932 1.00 0.00 H new ATOM 349 N ALA A 102 5.239 4.503 1.135 1.00 0.00 N ATOM 350 CA ALA A 102 6.073 3.549 0.406 1.00 0.00 C ATOM 351 C ALA A 102 6.719 2.566 1.385 1.00 0.00 C ATOM 352 O ALA A 102 6.729 1.358 1.142 1.00 0.00 O ATOM 353 CB ALA A 102 7.152 4.283 -0.386 1.00 0.00 C ATOM 0 H ALA A 102 5.452 5.485 0.960 1.00 0.00 H new ATOM 0 HA ALA A 102 5.444 2.996 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.765 3.559 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.682 4.961 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.780 4.854 0.298 1.00 0.00 H new ATOM 359 N SER A 103 7.249 3.083 2.490 1.00 0.00 N ATOM 360 CA SER A 103 7.879 2.226 3.488 1.00 0.00 C ATOM 361 C SER A 103 6.890 1.170 3.987 1.00 0.00 C ATOM 362 O SER A 103 7.257 0.013 4.203 1.00 0.00 O ATOM 363 CB SER A 103 8.384 3.063 4.661 1.00 0.00 C ATOM 364 OG SER A 103 9.412 3.937 4.204 1.00 0.00 O ATOM 0 H SER A 103 7.255 4.078 2.715 1.00 0.00 H new ATOM 0 HA SER A 103 8.726 1.721 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.565 3.639 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.766 2.414 5.449 1.00 0.00 H new ATOM 0 HG SER A 103 9.738 4.478 4.953 1.00 0.00 H new ATOM 370 N GLU A 104 5.630 1.557 4.182 1.00 0.00 N ATOM 371 CA GLU A 104 4.637 0.619 4.639 1.00 0.00 C ATOM 372 C GLU A 104 4.243 -0.330 3.501 1.00 0.00 C ATOM 373 O GLU A 104 4.034 -1.523 3.721 1.00 0.00 O ATOM 374 CB GLU A 104 3.412 1.379 5.141 1.00 0.00 C ATOM 375 CG GLU A 104 3.779 2.206 6.372 1.00 0.00 C ATOM 376 CD GLU A 104 2.571 3.031 6.798 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.885 3.527 5.924 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.358 3.176 7.987 1.00 0.00 O ATOM 0 H GLU A 104 5.287 2.505 4.029 1.00 0.00 H new ATOM 0 HA GLU A 104 5.050 0.027 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.031 2.031 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.615 0.678 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.092 1.551 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.621 2.861 6.148 1.00 0.00 H new ATOM 385 N LEU A 105 4.134 0.200 2.285 1.00 0.00 N ATOM 386 CA LEU A 105 3.754 -0.631 1.144 1.00 0.00 C ATOM 387 C LEU A 105 4.772 -1.760 0.946 1.00 0.00 C ATOM 388 O LEU A 105 4.404 -2.922 0.783 1.00 0.00 O ATOM 389 CB LEU A 105 3.690 0.237 -0.131 1.00 0.00 C ATOM 390 CG LEU A 105 2.702 -0.355 -1.159 1.00 0.00 C ATOM 391 CD1 LEU A 105 3.012 -1.836 -1.404 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.249 -0.211 -0.657 1.00 0.00 C ATOM 0 H LEU A 105 4.300 1.182 2.066 1.00 0.00 H new ATOM 0 HA LEU A 105 2.775 -1.069 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.384 1.250 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.683 0.309 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 105 2.813 0.195 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.307 -2.240 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.027 -1.937 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.922 -2.386 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.566 -0.633 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.136 -0.742 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.018 0.844 -0.511 1.00 0.00 H new ATOM 404 N ARG A 106 6.049 -1.414 0.982 1.00 0.00 N ATOM 405 CA ARG A 106 7.089 -2.421 0.811 1.00 0.00 C ATOM 406 C ARG A 106 7.142 -3.340 2.030 1.00 0.00 C ATOM 407 O ARG A 106 7.301 -4.553 1.894 1.00 0.00 O ATOM 408 CB ARG A 106 8.444 -1.747 0.573 1.00 0.00 C ATOM 409 CG ARG A 106 8.882 -1.035 1.849 1.00 0.00 C ATOM 410 CD ARG A 106 10.173 -0.269 1.601 1.00 0.00 C ATOM 411 NE ARG A 106 11.255 -1.194 1.299 1.00 0.00 N ATOM 412 CZ ARG A 106 12.429 -0.746 0.881 1.00 0.00 C ATOM 413 NH1 ARG A 106 12.621 0.535 0.756 1.00 0.00 N ATOM 414 NH2 ARG A 106 13.389 -1.585 0.596 1.00 0.00 N ATOM 0 H ARG A 106 6.388 -0.463 1.125 1.00 0.00 H new ATOM 0 HA ARG A 106 6.853 -3.029 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.187 -2.490 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.370 -1.034 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.101 -0.350 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.028 -1.761 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.038 0.427 0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.427 0.325 2.479 1.00 0.00 H new ATOM 0 HE ARG A 106 11.108 -2.197 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.870 1.188 0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.523 0.887 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.235 -2.588 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.292 -1.237 0.274 1.00 0.00 H new ATOM 428 N HIS A 107 7.015 -2.759 3.218 1.00 0.00 N ATOM 429 CA HIS A 107 7.058 -3.551 4.437 1.00 0.00 C ATOM 430 C HIS A 107 5.980 -4.626 4.384 1.00 0.00 C ATOM 431 O HIS A 107 6.239 -5.790 4.688 1.00 0.00 O ATOM 432 CB HIS A 107 6.840 -2.654 5.658 1.00 0.00 C ATOM 433 CG HIS A 107 6.998 -3.468 6.911 1.00 0.00 C ATOM 434 ND1 HIS A 107 6.097 -3.392 7.962 1.00 0.00 N ATOM 435 CD2 HIS A 107 7.947 -4.383 7.298 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.518 -4.238 8.920 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.641 -4.868 8.565 1.00 0.00 N ATOM 0 H HIS A 107 6.883 -1.758 3.360 1.00 0.00 H new ATOM 0 HA HIS A 107 8.037 -4.024 4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.557 -1.833 5.652 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.845 -2.209 5.623 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.801 -4.681 6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.010 -4.389 9.861 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.162 -5.557 9.107 1.00 0.00 H new ATOM 446 N VAL A 108 4.779 -4.237 3.971 1.00 0.00 N ATOM 447 CA VAL A 108 3.687 -5.192 3.863 1.00 0.00 C ATOM 448 C VAL A 108 4.002 -6.237 2.795 1.00 0.00 C ATOM 449 O VAL A 108 3.754 -7.427 2.991 1.00 0.00 O ATOM 450 CB VAL A 108 2.380 -4.467 3.525 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.285 -5.492 3.220 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.952 -3.610 4.720 1.00 0.00 C ATOM 0 H VAL A 108 4.540 -3.280 3.709 1.00 0.00 H new ATOM 0 HA VAL A 108 3.569 -5.697 4.822 1.00 0.00 H new ATOM 0 HB VAL A 108 2.534 -3.832 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.357 -4.973 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.587 -6.106 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.130 -6.129 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.022 -3.093 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.800 -4.249 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.729 -2.877 4.939 1.00 0.00 H new ATOM 462 N MET A 109 4.542 -5.791 1.670 1.00 0.00 N ATOM 463 CA MET A 109 4.871 -6.713 0.588 1.00 0.00 C ATOM 464 C MET A 109 5.911 -7.727 1.061 1.00 0.00 C ATOM 465 O MET A 109 5.797 -8.920 0.776 1.00 0.00 O ATOM 466 CB MET A 109 5.414 -5.934 -0.612 1.00 0.00 C ATOM 467 CG MET A 109 4.262 -5.219 -1.325 1.00 0.00 C ATOM 468 SD MET A 109 3.195 -6.435 -2.137 1.00 0.00 S ATOM 469 CE MET A 109 2.611 -5.365 -3.473 1.00 0.00 C ATOM 0 H MET A 109 4.760 -4.812 1.482 1.00 0.00 H new ATOM 0 HA MET A 109 3.968 -7.245 0.290 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.157 -5.208 -0.281 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.917 -6.612 -1.301 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.684 -4.636 -0.608 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.657 -4.519 -2.061 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.925 -5.922 -4.111 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.095 -4.503 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.461 -5.024 -4.064 1.00 0.00 H new ATOM 479 N ILE A 110 6.915 -7.259 1.800 1.00 0.00 N ATOM 480 CA ILE A 110 7.942 -8.161 2.308 1.00 0.00 C ATOM 481 C ILE A 110 7.326 -9.149 3.299 1.00 0.00 C ATOM 482 O ILE A 110 7.604 -10.347 3.248 1.00 0.00 O ATOM 483 CB ILE A 110 9.055 -7.360 2.985 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.796 -6.533 1.928 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.042 -8.320 3.657 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.729 -5.543 2.623 1.00 0.00 C ATOM 0 H ILE A 110 7.037 -6.279 2.056 1.00 0.00 H new ATOM 0 HA ILE A 110 8.368 -8.718 1.474 1.00 0.00 H new ATOM 0 HB ILE A 110 8.622 -6.699 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.367 -7.189 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.082 -5.999 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.835 -7.748 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.518 -8.916 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.476 -8.980 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.257 -4.953 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.145 -4.880 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.451 -6.089 3.231 1.00 0.00 H new ATOM 498 N ASN A 111 6.484 -8.641 4.192 1.00 0.00 N ATOM 499 CA ASN A 111 5.835 -9.498 5.175 1.00 0.00 C ATOM 500 C ASN A 111 4.949 -10.517 4.466 1.00 0.00 C ATOM 501 O ASN A 111 4.784 -11.643 4.936 1.00 0.00 O ATOM 502 CB ASN A 111 5.002 -8.660 6.146 1.00 0.00 C ATOM 503 CG ASN A 111 4.244 -9.569 7.112 1.00 0.00 C ATOM 504 OD1 ASN A 111 3.595 -10.527 6.690 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.289 -9.329 8.396 1.00 0.00 N ATOM 0 H ASN A 111 6.238 -7.653 4.255 1.00 0.00 H new ATOM 0 HA ASN A 111 6.601 -10.025 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.651 -7.985 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.298 -8.040 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.787 -9.934 9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.826 -8.536 8.748 1.00 0.00 H new ATOM 512 N LEU A 112 4.384 -10.117 3.335 1.00 0.00 N ATOM 513 CA LEU A 112 3.519 -11.008 2.575 1.00 0.00 C ATOM 514 C LEU A 112 4.339 -12.007 1.763 1.00 0.00 C ATOM 515 O LEU A 112 3.788 -12.856 1.065 1.00 0.00 O ATOM 516 CB LEU A 112 2.627 -10.197 1.628 1.00 0.00 C ATOM 517 CG LEU A 112 1.481 -9.537 2.410 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.730 -8.558 1.499 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.504 -10.611 2.917 1.00 0.00 C ATOM 0 H LEU A 112 4.507 -9.190 2.927 1.00 0.00 H new ATOM 0 HA LEU A 112 2.899 -11.557 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.220 -9.433 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.221 -10.848 0.854 1.00 0.00 H new ATOM 0 HG LEU A 112 1.898 -8.998 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.082 -8.092 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.417 -7.788 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.321 -9.097 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.305 -10.135 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.091 -11.157 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.033 -11.304 3.572 1.00 0.00 H new ATOM 531 N GLY A 113 5.652 -11.900 1.853 1.00 0.00 N ATOM 532 CA GLY A 113 6.528 -12.806 1.112 1.00 0.00 C ATOM 533 C GLY A 113 6.719 -12.325 -0.323 1.00 0.00 C ATOM 534 O GLY A 113 7.186 -13.075 -1.179 1.00 0.00 O ATOM 0 H GLY A 113 6.136 -11.206 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.495 -12.871 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.102 -13.809 1.110 1.00 0.00 H new ATOM 538 N GLU A 114 6.359 -11.067 -0.579 1.00 0.00 N ATOM 539 CA GLU A 114 6.498 -10.480 -1.915 1.00 0.00 C ATOM 540 C GLU A 114 7.489 -9.320 -1.873 1.00 0.00 C ATOM 541 O GLU A 114 7.414 -8.472 -0.986 1.00 0.00 O ATOM 542 CB GLU A 114 5.140 -9.962 -2.400 1.00 0.00 C ATOM 543 CG GLU A 114 4.202 -11.137 -2.687 1.00 0.00 C ATOM 544 CD GLU A 114 2.826 -10.614 -3.089 1.00 0.00 C ATOM 545 OE1 GLU A 114 2.367 -9.672 -2.464 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.254 -11.160 -4.018 1.00 0.00 O ATOM 0 H GLU A 114 5.969 -10.434 0.120 1.00 0.00 H new ATOM 0 HA GLU A 114 6.863 -11.247 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.700 -9.311 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.271 -9.363 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.613 -11.756 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.117 -11.770 -1.804 1.00 0.00 H new ATOM 553 N LYS A 115 8.421 -9.282 -2.825 1.00 0.00 N ATOM 554 CA LYS A 115 9.420 -8.208 -2.868 1.00 0.00 C ATOM 555 C LYS A 115 9.596 -7.715 -4.301 1.00 0.00 C ATOM 556 O LYS A 115 10.087 -8.445 -5.160 1.00 0.00 O ATOM 557 CB LYS A 115 10.768 -8.728 -2.341 1.00 0.00 C ATOM 558 CG LYS A 115 10.986 -10.172 -2.829 1.00 0.00 C ATOM 559 CD LYS A 115 10.509 -11.156 -1.760 1.00 0.00 C ATOM 560 CE LYS A 115 10.732 -12.581 -2.253 1.00 0.00 C ATOM 561 NZ LYS A 115 10.280 -13.538 -1.207 1.00 0.00 N ATOM 0 H LYS A 115 8.507 -9.973 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 115 9.077 -7.384 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.579 -8.088 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.782 -8.695 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.441 -10.338 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.042 -10.338 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.052 -10.992 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.453 -10.994 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.181 -12.749 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.787 -12.740 -2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.523 -14.507 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.751 -13.316 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.250 -13.460 -1.087 1.00 0.00 H new ATOM 575 N LEU A 116 9.193 -6.477 -4.560 1.00 0.00 N ATOM 576 CA LEU A 116 9.311 -5.900 -5.903 1.00 0.00 C ATOM 577 C LEU A 116 10.489 -4.942 -5.947 1.00 0.00 C ATOM 578 O LEU A 116 10.934 -4.456 -4.911 1.00 0.00 O ATOM 579 CB LEU A 116 8.020 -5.151 -6.271 1.00 0.00 C ATOM 580 CG LEU A 116 6.799 -6.044 -5.996 1.00 0.00 C ATOM 581 CD1 LEU A 116 7.010 -7.429 -6.628 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.599 -6.199 -4.474 1.00 0.00 C ATOM 0 H LEU A 116 8.783 -5.852 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 116 9.472 -6.704 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.946 -4.231 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.043 -4.865 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 116 5.915 -5.580 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.141 -8.056 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.141 -7.321 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.898 -7.893 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.733 -6.833 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.486 -6.656 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.437 -5.218 -4.027 1.00 0.00 H new ATOM 594 N THR A 117 11.010 -4.678 -7.142 1.00 0.00 N ATOM 595 CA THR A 117 12.152 -3.777 -7.260 1.00 0.00 C ATOM 596 C THR A 117 11.749 -2.382 -6.787 1.00 0.00 C ATOM 597 O THR A 117 10.563 -2.075 -6.707 1.00 0.00 O ATOM 598 CB THR A 117 12.626 -3.716 -8.714 1.00 0.00 C ATOM 599 OG1 THR A 117 12.735 -5.034 -9.231 1.00 0.00 O ATOM 600 CG2 THR A 117 13.991 -3.031 -8.778 1.00 0.00 C ATOM 0 H THR A 117 10.670 -5.064 -8.023 1.00 0.00 H new ATOM 0 HA THR A 117 12.968 -4.149 -6.640 1.00 0.00 H new ATOM 0 HB THR A 117 11.907 -3.150 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.910 -5.269 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.328 -2.988 -9.814 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.909 -2.019 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.710 -3.597 -8.186 1.00 0.00 H new ATOM 608 N ASP A 118 12.728 -1.537 -6.473 1.00 0.00 N ATOM 609 CA ASP A 118 12.420 -0.187 -6.008 1.00 0.00 C ATOM 610 C ASP A 118 11.663 0.588 -7.083 1.00 0.00 C ATOM 611 O ASP A 118 10.750 1.355 -6.776 1.00 0.00 O ATOM 612 CB ASP A 118 13.706 0.552 -5.639 1.00 0.00 C ATOM 613 CG ASP A 118 13.369 1.842 -4.898 1.00 0.00 C ATOM 614 OD1 ASP A 118 12.229 1.985 -4.487 1.00 0.00 O ATOM 615 OD2 ASP A 118 14.256 2.666 -4.751 1.00 0.00 O ATOM 0 H ASP A 118 13.722 -1.757 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 118 11.789 -0.263 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.334 -0.083 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.277 0.778 -6.540 1.00 0.00 H new ATOM 620 N GLU A 119 12.033 0.377 -8.340 1.00 0.00 N ATOM 621 CA GLU A 119 11.361 1.058 -9.438 1.00 0.00 C ATOM 622 C GLU A 119 9.916 0.575 -9.567 1.00 0.00 C ATOM 623 O GLU A 119 9.037 1.338 -9.970 1.00 0.00 O ATOM 624 CB GLU A 119 12.109 0.821 -10.750 1.00 0.00 C ATOM 625 CG GLU A 119 13.447 1.560 -10.710 1.00 0.00 C ATOM 626 CD GLU A 119 14.283 1.198 -11.932 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.820 0.395 -12.724 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.379 1.720 -12.052 1.00 0.00 O ATOM 0 H GLU A 119 12.785 -0.252 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 119 11.355 2.127 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.274 -0.246 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.511 1.172 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.276 2.636 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.988 1.300 -9.800 1.00 0.00 H new ATOM 635 N GLU A 120 9.667 -0.683 -9.214 1.00 0.00 N ATOM 636 CA GLU A 120 8.319 -1.218 -9.291 1.00 0.00 C ATOM 637 C GLU A 120 7.443 -0.591 -8.213 1.00 0.00 C ATOM 638 O GLU A 120 6.321 -0.159 -8.484 1.00 0.00 O ATOM 639 CB GLU A 120 8.352 -2.737 -9.124 1.00 0.00 C ATOM 640 CG GLU A 120 9.018 -3.373 -10.343 1.00 0.00 C ATOM 641 CD GLU A 120 9.233 -4.866 -10.107 1.00 0.00 C ATOM 642 OE1 GLU A 120 8.346 -5.492 -9.552 1.00 0.00 O ATOM 643 OE2 GLU A 120 10.281 -5.363 -10.489 1.00 0.00 O ATOM 0 H GLU A 120 10.372 -1.339 -8.877 1.00 0.00 H new ATOM 0 HA GLU A 120 7.898 -0.978 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.899 -3.002 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.339 -3.122 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.397 -3.223 -11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.974 -2.887 -10.539 1.00 0.00 H new ATOM 650 N VAL A 121 7.960 -0.531 -6.990 1.00 0.00 N ATOM 651 CA VAL A 121 7.203 0.057 -5.892 1.00 0.00 C ATOM 652 C VAL A 121 6.922 1.530 -6.174 1.00 0.00 C ATOM 653 O VAL A 121 5.785 1.988 -6.045 1.00 0.00 O ATOM 654 CB VAL A 121 7.973 -0.089 -4.577 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.227 0.641 -3.456 1.00 0.00 C ATOM 656 CG2 VAL A 121 8.096 -1.573 -4.218 1.00 0.00 C ATOM 0 H VAL A 121 8.886 -0.877 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 121 6.254 -0.471 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 121 8.966 0.344 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.779 0.534 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.138 1.698 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.232 0.211 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.644 -1.677 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.101 -2.004 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.630 -2.096 -5.011 1.00 0.00 H new ATOM 666 N GLU A 122 7.955 2.271 -6.572 1.00 0.00 N ATOM 667 CA GLU A 122 7.783 3.682 -6.871 1.00 0.00 C ATOM 668 C GLU A 122 6.757 3.861 -7.984 1.00 0.00 C ATOM 669 O GLU A 122 5.940 4.781 -7.947 1.00 0.00 O ATOM 670 CB GLU A 122 9.118 4.299 -7.285 1.00 0.00 C ATOM 671 CG GLU A 122 10.066 4.337 -6.083 1.00 0.00 C ATOM 672 CD GLU A 122 11.432 4.855 -6.519 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.572 5.186 -7.685 1.00 0.00 O ATOM 674 OE2 GLU A 122 12.317 4.912 -5.682 1.00 0.00 O ATOM 0 H GLU A 122 8.905 1.920 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 122 7.424 4.189 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.563 3.718 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.960 5.307 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.655 4.979 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.165 3.340 -5.654 1.00 0.00 H new ATOM 681 N GLN A 123 6.796 2.978 -8.978 1.00 0.00 N ATOM 682 CA GLN A 123 5.849 3.062 -10.081 1.00 0.00 C ATOM 683 C GLN A 123 4.422 2.841 -9.582 1.00 0.00 C ATOM 684 O GLN A 123 3.518 3.607 -9.918 1.00 0.00 O ATOM 685 CB GLN A 123 6.194 2.022 -11.151 1.00 0.00 C ATOM 686 CG GLN A 123 5.203 2.126 -12.317 1.00 0.00 C ATOM 687 CD GLN A 123 5.579 1.133 -13.409 1.00 0.00 C ATOM 688 OE1 GLN A 123 5.577 -0.077 -13.176 1.00 0.00 O ATOM 689 NE2 GLN A 123 5.903 1.571 -14.595 1.00 0.00 N ATOM 0 H GLN A 123 7.462 2.208 -9.041 1.00 0.00 H new ATOM 0 HA GLN A 123 5.915 4.059 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.211 2.181 -11.511 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.161 1.021 -10.722 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.191 1.926 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.206 3.139 -12.719 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.904 2.573 -14.786 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.155 0.911 -15.331 1.00 0.00 H new ATOM 698 N MET A 124 4.220 1.797 -8.780 1.00 0.00 N ATOM 699 CA MET A 124 2.899 1.511 -8.257 1.00 0.00 C ATOM 700 C MET A 124 2.437 2.642 -7.345 1.00 0.00 C ATOM 701 O MET A 124 1.282 3.065 -7.410 1.00 0.00 O ATOM 702 CB MET A 124 2.929 0.191 -7.489 1.00 0.00 C ATOM 703 CG MET A 124 2.995 -0.972 -8.478 1.00 0.00 C ATOM 704 SD MET A 124 2.908 -2.541 -7.579 1.00 0.00 S ATOM 705 CE MET A 124 4.516 -2.431 -6.755 1.00 0.00 C ATOM 0 H MET A 124 4.948 1.147 -8.485 1.00 0.00 H new ATOM 0 HA MET A 124 2.196 1.427 -9.086 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.791 0.165 -6.823 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.040 0.101 -6.864 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.173 -0.904 -9.190 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.920 -0.922 -9.053 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.789 -3.409 -6.358 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.271 -2.107 -7.472 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.458 -1.711 -5.939 1.00 0.00 H new ATOM 715 N ILE A 125 3.340 3.144 -6.511 1.00 0.00 N ATOM 716 CA ILE A 125 2.990 4.238 -5.613 1.00 0.00 C ATOM 717 C ILE A 125 2.641 5.483 -6.428 1.00 0.00 C ATOM 718 O ILE A 125 1.639 6.147 -6.172 1.00 0.00 O ATOM 719 CB ILE A 125 4.178 4.536 -4.687 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.405 3.341 -3.731 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.902 5.817 -3.882 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.517 3.460 -2.485 1.00 0.00 C ATOM 0 H ILE A 125 4.304 2.818 -6.437 1.00 0.00 H new ATOM 0 HA ILE A 125 2.126 3.954 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 125 5.076 4.685 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.186 2.408 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.453 3.302 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.748 6.024 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.760 6.653 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 125 3.002 5.683 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.695 2.608 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.755 4.382 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.469 3.474 -2.785 1.00 0.00 H new ATOM 734 N LYS A 126 3.467 5.769 -7.422 1.00 0.00 N ATOM 735 CA LYS A 126 3.238 6.919 -8.286 1.00 0.00 C ATOM 736 C LYS A 126 2.000 6.709 -9.149 1.00 0.00 C ATOM 737 O LYS A 126 1.190 7.619 -9.325 1.00 0.00 O ATOM 738 CB LYS A 126 4.454 7.153 -9.168 1.00 0.00 C ATOM 739 CG LYS A 126 5.649 7.558 -8.297 1.00 0.00 C ATOM 740 CD LYS A 126 5.600 9.065 -8.018 1.00 0.00 C ATOM 741 CE LYS A 126 6.811 9.471 -7.183 1.00 0.00 C ATOM 742 NZ LYS A 126 8.042 9.377 -8.017 1.00 0.00 N ATOM 0 H LYS A 126 4.299 5.224 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 126 3.074 7.795 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.689 6.248 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.242 7.934 -9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.631 7.004 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.581 7.302 -8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.591 9.619 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.680 9.318 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.686 10.489 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.899 8.823 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.805 9.927 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.333 8.382 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.848 9.757 -8.966 1.00 0.00 H new ATOM 756 N GLU A 127 1.858 5.502 -9.675 1.00 0.00 N ATOM 757 CA GLU A 127 0.712 5.178 -10.515 1.00 0.00 C ATOM 758 C GLU A 127 -0.556 5.050 -9.682 1.00 0.00 C ATOM 759 O GLU A 127 -1.643 5.423 -10.119 1.00 0.00 O ATOM 760 CB GLU A 127 0.963 3.871 -11.245 1.00 0.00 C ATOM 761 CG GLU A 127 -0.125 3.650 -12.301 1.00 0.00 C ATOM 762 CD GLU A 127 0.134 2.352 -13.058 1.00 0.00 C ATOM 763 OE1 GLU A 127 0.966 1.584 -12.608 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.505 2.147 -14.078 1.00 0.00 O ATOM 0 H GLU A 127 2.516 4.735 -9.537 1.00 0.00 H new ATOM 0 HA GLU A 127 0.579 5.987 -11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.944 3.891 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.968 3.043 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.104 3.612 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.142 4.489 -12.997 1.00 0.00 H new ATOM 771 N ALA A 128 -0.408 4.512 -8.484 1.00 0.00 N ATOM 772 CA ALA A 128 -1.558 4.328 -7.602 1.00 0.00 C ATOM 773 C ALA A 128 -2.048 5.662 -7.057 1.00 0.00 C ATOM 774 O ALA A 128 -3.238 5.840 -6.809 1.00 0.00 O ATOM 775 CB ALA A 128 -1.200 3.408 -6.437 1.00 0.00 C ATOM 0 H ALA A 128 0.483 4.197 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.354 3.873 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.069 3.283 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.892 2.436 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.383 3.847 -5.864 1.00 0.00 H new ATOM 781 N ASP A 129 -1.128 6.589 -6.854 1.00 0.00 N ATOM 782 CA ASP A 129 -1.492 7.891 -6.308 1.00 0.00 C ATOM 783 C ASP A 129 -2.313 8.701 -7.288 1.00 0.00 C ATOM 784 O ASP A 129 -1.803 9.178 -8.298 1.00 0.00 O ATOM 785 CB ASP A 129 -0.247 8.675 -5.949 1.00 0.00 C ATOM 786 CG ASP A 129 -0.606 9.880 -5.088 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.570 9.789 -4.345 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.091 10.879 -5.184 1.00 0.00 O ATOM 0 H ASP A 129 -0.135 6.470 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.093 7.709 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.452 8.033 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.256 9.006 -6.857 1.00 0.00 H new ATOM 793 N LEU A 130 -3.588 8.866 -6.975 1.00 0.00 N ATOM 794 CA LEU A 130 -4.474 9.642 -7.834 1.00 0.00 C ATOM 795 C LEU A 130 -4.484 11.120 -7.442 1.00 0.00 C ATOM 796 O LEU A 130 -4.706 11.989 -8.287 1.00 0.00 O ATOM 797 CB LEU A 130 -5.904 9.086 -7.778 1.00 0.00 C ATOM 798 CG LEU A 130 -6.842 9.927 -8.665 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.312 9.975 -10.105 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.240 9.296 -8.663 1.00 0.00 C ATOM 0 H LEU A 130 -4.031 8.478 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.093 9.559 -8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -5.911 8.048 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.263 9.092 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.889 10.942 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -6.985 10.572 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.319 10.424 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -6.256 8.963 -10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.907 9.888 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.181 8.280 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.626 9.271 -7.644 1.00 0.00 H new ATOM 812 N ASP A 131 -4.278 11.395 -6.163 1.00 0.00 N ATOM 813 CA ASP A 131 -4.302 12.772 -5.680 1.00 0.00 C ATOM 814 C ASP A 131 -3.005 13.499 -6.002 1.00 0.00 C ATOM 815 O ASP A 131 -2.923 14.722 -5.863 1.00 0.00 O ATOM 816 CB ASP A 131 -4.517 12.793 -4.167 1.00 0.00 C ATOM 817 CG ASP A 131 -5.739 11.958 -3.799 1.00 0.00 C ATOM 818 OD1 ASP A 131 -6.790 12.195 -4.374 1.00 0.00 O ATOM 819 OD2 ASP A 131 -5.603 11.093 -2.950 1.00 0.00 O ATOM 0 H ASP A 131 -4.094 10.693 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.123 13.281 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.634 12.402 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.652 13.819 -3.825 1.00 0.00 H new ATOM 824 N GLY A 132 -1.983 12.766 -6.435 1.00 0.00 N ATOM 825 CA GLY A 132 -0.716 13.395 -6.761 1.00 0.00 C ATOM 826 C GLY A 132 -0.004 13.897 -5.505 1.00 0.00 C ATOM 827 O GLY A 132 0.802 14.826 -5.575 1.00 0.00 O ATOM 0 H GLY A 132 -2.009 11.755 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.078 12.682 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.886 14.229 -7.442 1.00 0.00 H new ATOM 831 N ASP A 133 -0.299 13.289 -4.355 1.00 0.00 N ATOM 832 CA ASP A 133 0.340 13.707 -3.105 1.00 0.00 C ATOM 833 C ASP A 133 1.564 12.842 -2.823 1.00 0.00 C ATOM 834 O ASP A 133 2.410 13.194 -1.999 1.00 0.00 O ATOM 835 CB ASP A 133 -0.647 13.584 -1.944 1.00 0.00 C ATOM 836 CG ASP A 133 -1.152 12.152 -1.848 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.911 11.397 -2.774 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.770 11.829 -0.849 1.00 0.00 O ATOM 0 H ASP A 133 -0.963 12.520 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 133 0.651 14.747 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.163 13.872 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.484 14.266 -2.093 1.00 0.00 H new ATOM 843 N GLY A 134 1.657 11.708 -3.512 1.00 0.00 N ATOM 844 CA GLY A 134 2.785 10.802 -3.329 1.00 0.00 C ATOM 845 C GLY A 134 2.466 9.770 -2.267 1.00 0.00 C ATOM 846 O GLY A 134 3.297 8.928 -1.931 1.00 0.00 O ATOM 0 H GLY A 134 0.969 11.397 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.017 10.304 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.671 11.368 -3.041 1.00 0.00 H new ATOM 850 N GLN A 135 1.257 9.854 -1.725 1.00 0.00 N ATOM 851 CA GLN A 135 0.823 8.943 -0.680 1.00 0.00 C ATOM 852 C GLN A 135 -0.360 8.112 -1.153 1.00 0.00 C ATOM 853 O GLN A 135 -1.279 8.633 -1.777 1.00 0.00 O ATOM 854 CB GLN A 135 0.419 9.777 0.545 1.00 0.00 C ATOM 855 CG GLN A 135 1.546 9.775 1.578 1.00 0.00 C ATOM 856 CD GLN A 135 1.274 10.821 2.651 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.272 11.533 2.582 1.00 0.00 O ATOM 858 NE2 GLN A 135 2.108 10.956 3.646 1.00 0.00 N ATOM 0 H GLN A 135 0.559 10.547 -1.995 1.00 0.00 H new ATOM 0 HA GLN A 135 1.634 8.261 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.196 10.800 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.491 9.371 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.630 8.788 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.498 9.983 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.937 10.365 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.930 11.653 4.369 1.00 0.00 H new ATOM 867 N VAL A 136 -0.353 6.823 -0.822 1.00 0.00 N ATOM 868 CA VAL A 136 -1.461 5.963 -1.201 1.00 0.00 C ATOM 869 C VAL A 136 -2.535 6.057 -0.122 1.00 0.00 C ATOM 870 O VAL A 136 -2.346 5.556 0.986 1.00 0.00 O ATOM 871 CB VAL A 136 -0.977 4.514 -1.344 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.177 3.565 -1.413 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.160 4.384 -2.627 1.00 0.00 C ATOM 0 H VAL A 136 0.394 6.362 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.871 6.282 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.363 4.253 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.824 2.539 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.767 3.657 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.796 3.823 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.187 3.356 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.781 4.649 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.699 5.054 -2.581 1.00 0.00 H new ATOM 883 N ASN A 137 -3.669 6.693 -0.436 1.00 0.00 N ATOM 884 CA ASN A 137 -4.752 6.830 0.544 1.00 0.00 C ATOM 885 C ASN A 137 -5.782 5.719 0.350 1.00 0.00 C ATOM 886 O ASN A 137 -5.664 4.912 -0.568 1.00 0.00 O ATOM 887 CB ASN A 137 -5.427 8.201 0.397 1.00 0.00 C ATOM 888 CG ASN A 137 -6.126 8.309 -0.955 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.260 7.316 -1.669 1.00 0.00 O ATOM 890 ND2 ASN A 137 -6.581 9.467 -1.352 1.00 0.00 N ATOM 0 H ASN A 137 -3.859 7.115 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.330 6.749 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.150 8.345 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.683 8.992 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.048 9.549 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -6.469 10.289 -0.759 1.00 0.00 H new ATOM 897 N TYR A 138 -6.782 5.667 1.224 1.00 0.00 N ATOM 898 CA TYR A 138 -7.801 4.628 1.126 1.00 0.00 C ATOM 899 C TYR A 138 -8.390 4.569 -0.287 1.00 0.00 C ATOM 900 O TYR A 138 -8.588 3.484 -0.823 1.00 0.00 O ATOM 901 CB TYR A 138 -8.920 4.900 2.126 1.00 0.00 C ATOM 902 CG TYR A 138 -9.962 3.815 2.021 1.00 0.00 C ATOM 903 CD1 TYR A 138 -11.029 3.956 1.127 1.00 0.00 C ATOM 904 CD2 TYR A 138 -9.864 2.669 2.818 1.00 0.00 C ATOM 905 CE1 TYR A 138 -11.998 2.951 1.029 1.00 0.00 C ATOM 906 CE2 TYR A 138 -10.833 1.666 2.721 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.902 1.805 1.827 1.00 0.00 C ATOM 908 OH TYR A 138 -12.859 0.815 1.732 1.00 0.00 O ATOM 0 H TYR A 138 -6.908 6.321 1.997 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.330 3.671 1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.517 4.935 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.371 5.872 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -11.105 4.841 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.040 2.559 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -12.820 3.060 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.757 0.782 3.337 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.642 0.089 2.354 1.00 0.00 H new ATOM 918 N GLU A 139 -8.676 5.726 -0.877 1.00 0.00 N ATOM 919 CA GLU A 139 -9.255 5.755 -2.223 1.00 0.00 C ATOM 920 C GLU A 139 -8.326 5.095 -3.231 1.00 0.00 C ATOM 921 O GLU A 139 -8.746 4.259 -4.022 1.00 0.00 O ATOM 922 CB GLU A 139 -9.536 7.201 -2.631 1.00 0.00 C ATOM 923 CG GLU A 139 -10.452 7.229 -3.854 1.00 0.00 C ATOM 924 CD GLU A 139 -9.671 6.808 -5.095 1.00 0.00 C ATOM 925 OE1 GLU A 139 -8.483 7.085 -5.145 1.00 0.00 O ATOM 926 OE2 GLU A 139 -10.269 6.208 -5.973 1.00 0.00 O ATOM 0 H GLU A 139 -8.521 6.642 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.190 5.195 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.002 7.737 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.600 7.713 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -11.298 6.559 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.859 8.231 -3.992 1.00 0.00 H new ATOM 933 N GLU A 140 -7.069 5.475 -3.220 1.00 0.00 N ATOM 934 CA GLU A 140 -6.122 4.884 -4.145 1.00 0.00 C ATOM 935 C GLU A 140 -5.894 3.426 -3.788 1.00 0.00 C ATOM 936 O GLU A 140 -5.765 2.574 -4.669 1.00 0.00 O ATOM 937 CB GLU A 140 -4.800 5.662 -4.122 1.00 0.00 C ATOM 938 CG GLU A 140 -5.056 7.101 -4.588 1.00 0.00 C ATOM 939 CD GLU A 140 -4.037 8.054 -3.992 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.493 7.737 -2.949 1.00 0.00 O ATOM 941 OE2 GLU A 140 -3.808 9.088 -4.591 1.00 0.00 O ATOM 0 H GLU A 140 -6.680 6.179 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.530 4.936 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.381 5.662 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.069 5.181 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.011 7.148 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.061 7.408 -4.297 1.00 0.00 H new ATOM 948 N PHE A 141 -5.823 3.127 -2.497 1.00 0.00 N ATOM 949 CA PHE A 141 -5.594 1.756 -2.078 1.00 0.00 C ATOM 950 C PHE A 141 -6.753 0.874 -2.513 1.00 0.00 C ATOM 951 O PHE A 141 -6.558 -0.125 -3.207 1.00 0.00 O ATOM 952 CB PHE A 141 -5.447 1.696 -0.548 1.00 0.00 C ATOM 953 CG PHE A 141 -5.089 0.289 -0.114 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.812 -0.223 -0.383 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.032 -0.499 0.556 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.481 -1.523 0.018 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.700 -1.799 0.956 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.425 -2.310 0.686 1.00 0.00 C ATOM 0 H PHE A 141 -5.919 3.802 -1.738 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.678 1.395 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.675 2.393 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.378 2.006 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.084 0.385 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.015 -0.104 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.497 -1.918 -0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.427 -2.407 1.473 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.170 -3.313 0.994 1.00 0.00 H new ATOM 968 N VAL A 142 -7.957 1.259 -2.115 1.00 0.00 N ATOM 969 CA VAL A 142 -9.131 0.480 -2.466 1.00 0.00 C ATOM 970 C VAL A 142 -9.248 0.385 -3.979 1.00 0.00 C ATOM 971 O VAL A 142 -9.490 -0.690 -4.526 1.00 0.00 O ATOM 972 CB VAL A 142 -10.390 1.137 -1.881 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.687 2.435 -2.620 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.582 0.185 -2.012 1.00 0.00 C ATOM 0 H VAL A 142 -8.144 2.093 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.033 -0.523 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.220 1.355 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.581 2.896 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.843 3.116 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.850 2.223 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.472 0.657 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.751 -0.043 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.373 -0.737 -1.470 1.00 0.00 H new ATOM 984 N LYS A 143 -9.052 1.511 -4.642 1.00 0.00 N ATOM 985 CA LYS A 143 -9.122 1.550 -6.090 1.00 0.00 C ATOM 986 C LYS A 143 -8.053 0.638 -6.681 1.00 0.00 C ATOM 987 O LYS A 143 -8.341 -0.206 -7.528 1.00 0.00 O ATOM 988 CB LYS A 143 -8.906 2.987 -6.549 1.00 0.00 C ATOM 989 CG LYS A 143 -9.083 3.085 -8.064 1.00 0.00 C ATOM 990 CD LYS A 143 -8.902 4.538 -8.507 1.00 0.00 C ATOM 991 CE LYS A 143 -9.095 4.639 -10.022 1.00 0.00 C ATOM 992 NZ LYS A 143 -8.897 6.051 -10.457 1.00 0.00 N ATOM 0 H LYS A 143 -8.844 2.407 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 143 -10.098 1.202 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.614 3.647 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.907 3.320 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.357 2.447 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -10.073 2.728 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.621 5.177 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.908 4.892 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -8.387 3.987 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -10.094 4.300 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.028 6.119 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -9.589 6.662 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.935 6.359 -10.210 1.00 0.00 H new ATOM 1006 N MET A 144 -6.822 0.798 -6.215 1.00 0.00 N ATOM 1007 CA MET A 144 -5.721 -0.039 -6.691 1.00 0.00 C ATOM 1008 C MET A 144 -6.013 -1.489 -6.359 1.00 0.00 C ATOM 1009 O MET A 144 -5.749 -2.395 -7.151 1.00 0.00 O ATOM 1010 CB MET A 144 -4.416 0.355 -5.997 1.00 0.00 C ATOM 1011 CG MET A 144 -3.210 -0.355 -6.638 1.00 0.00 C ATOM 1012 SD MET A 144 -1.700 0.095 -5.738 1.00 0.00 S ATOM 1013 CE MET A 144 -1.773 -1.199 -4.472 1.00 0.00 C ATOM 0 H MET A 144 -6.559 1.491 -5.515 1.00 0.00 H new ATOM 0 HA MET A 144 -5.621 0.098 -7.768 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.280 1.435 -6.057 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.472 0.099 -4.939 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.354 -1.435 -6.613 1.00 0.00 H new ATOM 0 HG3 MET A 144 -3.121 -0.070 -7.686 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.919 -1.101 -3.802 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.696 -1.098 -3.901 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.748 -2.178 -4.951 1.00 0.00 H new ATOM 1023 N MET A 145 -6.566 -1.693 -5.179 1.00 0.00 N ATOM 1024 CA MET A 145 -6.888 -3.041 -4.746 1.00 0.00 C ATOM 1025 C MET A 145 -7.959 -3.638 -5.654 1.00 0.00 C ATOM 1026 O MET A 145 -7.894 -4.813 -6.010 1.00 0.00 O ATOM 1027 CB MET A 145 -7.368 -3.047 -3.291 1.00 0.00 C ATOM 1028 CG MET A 145 -7.631 -4.489 -2.835 1.00 0.00 C ATOM 1029 SD MET A 145 -8.128 -4.492 -1.091 1.00 0.00 S ATOM 1030 CE MET A 145 -6.487 -4.762 -0.372 1.00 0.00 C ATOM 0 H MET A 145 -6.799 -0.957 -4.512 1.00 0.00 H new ATOM 0 HA MET A 145 -5.985 -3.648 -4.810 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.618 -2.584 -2.649 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.278 -2.454 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.413 -4.938 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.734 -5.093 -2.969 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.492 -4.451 0.673 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.232 -5.820 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.749 -4.178 -0.921 1.00 0.00 H new ATOM 1040 N MET A 146 -8.930 -2.819 -6.040 1.00 0.00 N ATOM 1041 CA MET A 146 -9.991 -3.284 -6.916 1.00 0.00 C ATOM 1042 C MET A 146 -9.413 -3.697 -8.259 1.00 0.00 C ATOM 1043 O MET A 146 -9.849 -4.686 -8.854 1.00 0.00 O ATOM 1044 CB MET A 146 -11.035 -2.178 -7.111 1.00 0.00 C ATOM 1045 CG MET A 146 -11.939 -2.096 -5.875 1.00 0.00 C ATOM 1046 SD MET A 146 -13.018 -0.649 -6.011 1.00 0.00 S ATOM 1047 CE MET A 146 -14.017 -1.240 -7.400 1.00 0.00 C ATOM 0 H MET A 146 -9.002 -1.840 -5.762 1.00 0.00 H new ATOM 0 HA MET A 146 -10.474 -4.148 -6.458 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.539 -1.221 -7.275 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.634 -2.382 -7.998 1.00 0.00 H new ATOM 0 HG2 MET A 146 -12.538 -3.003 -5.789 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.333 -2.027 -4.972 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.971 -0.713 -7.412 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.488 -1.053 -8.334 1.00 0.00 H new ATOM 0 HE3 MET A 146 -14.195 -2.310 -7.291 1.00 0.00 H new ATOM 1057 N THR A 147 -8.433 -2.937 -8.738 1.00 0.00 N ATOM 1058 CA THR A 147 -7.808 -3.236 -10.022 1.00 0.00 C ATOM 1059 C THR A 147 -7.161 -4.619 -9.990 1.00 0.00 C ATOM 1060 O THR A 147 -7.665 -5.560 -10.605 1.00 0.00 O ATOM 1061 CB THR A 147 -6.745 -2.176 -10.343 1.00 0.00 C ATOM 1062 OG1 THR A 147 -7.311 -0.882 -10.208 1.00 0.00 O ATOM 1063 CG2 THR A 147 -6.239 -2.363 -11.776 1.00 0.00 C ATOM 0 H THR A 147 -8.057 -2.117 -8.262 1.00 0.00 H new ATOM 0 HA THR A 147 -8.576 -3.225 -10.795 1.00 0.00 H new ATOM 0 HB THR A 147 -5.911 -2.285 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 147 -7.477 -0.695 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 147 -5.485 -1.608 -11.997 1.00 0.00 H new ATOM 0 HG22 THR A 147 -5.800 -3.355 -11.880 1.00 0.00 H new ATOM 0 HG23 THR A 147 -7.071 -2.260 -12.472 1.00 0.00 H new