USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 477 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 Single : A 94 LYS NZ :NH3+ 170:sc= -0.3 (180deg=-0.848) USER MOD Single : A 97 ASN : amide:sc= -2.67! C(o=-2.7!,f=-8.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.708 USER MOD Single : A 107 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-8.1!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 83:sc= 0.733 USER MOD Single : A 111 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.9) USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= -0.0469 (180deg=-0.442) USER MOD Single : A 117 THR OG1 : rot -77:sc= -4.12! USER MOD Single : A 124 MET CE :methyl -148:sc= 0 (180deg=-0.628) USER MOD Single : A 135 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.9!) USER MOD Single : A 137 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.14) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.24) USER MOD Single : A 144 MET CE :methyl 175:sc= -0.56 (180deg=-0.621) USER MOD Single : A 145 MET CE :methyl -167:sc= -0.108 (180deg=-0.353) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.962 14.078 -0.775 1.00 0.00 N ATOM 53 CA GLU A 82 6.781 13.825 0.043 1.00 0.00 C ATOM 54 C GLU A 82 5.531 13.750 -0.833 1.00 0.00 C ATOM 55 O GLU A 82 4.623 12.951 -0.575 1.00 0.00 O ATOM 56 CB GLU A 82 6.630 14.963 1.063 1.00 0.00 C ATOM 57 CG GLU A 82 5.487 14.656 2.030 1.00 0.00 C ATOM 58 CD GLU A 82 5.386 15.759 3.081 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.979 16.806 2.880 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.712 15.538 4.075 1.00 0.00 O ATOM 0 HA GLU A 82 6.898 12.873 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.560 15.091 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.436 15.902 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.548 14.576 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.657 13.694 2.514 1.00 0.00 H new ATOM 67 N GLU A 83 5.483 14.599 -1.856 1.00 0.00 N ATOM 68 CA GLU A 83 4.336 14.640 -2.754 1.00 0.00 C ATOM 69 C GLU A 83 4.178 13.324 -3.531 1.00 0.00 C ATOM 70 O GLU A 83 3.094 12.750 -3.556 1.00 0.00 O ATOM 71 CB GLU A 83 4.486 15.808 -3.732 1.00 0.00 C ATOM 72 CG GLU A 83 3.189 15.998 -4.525 1.00 0.00 C ATOM 73 CD GLU A 83 2.093 16.546 -3.613 1.00 0.00 C ATOM 74 OE1 GLU A 83 2.407 16.911 -2.492 1.00 0.00 O ATOM 75 OE2 GLU A 83 0.954 16.584 -4.049 1.00 0.00 O ATOM 0 H GLU A 83 6.222 15.265 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 83 3.440 14.779 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.726 16.721 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.314 15.618 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.358 16.683 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.874 15.047 -4.955 1.00 0.00 H new ATOM 82 N GLU A 84 5.247 12.835 -4.162 1.00 0.00 N ATOM 83 CA GLU A 84 5.144 11.581 -4.912 1.00 0.00 C ATOM 84 C GLU A 84 4.425 10.538 -4.064 1.00 0.00 C ATOM 85 O GLU A 84 3.472 9.902 -4.514 1.00 0.00 O ATOM 86 CB GLU A 84 6.533 11.056 -5.279 1.00 0.00 C ATOM 87 CG GLU A 84 6.393 9.787 -6.128 1.00 0.00 C ATOM 88 CD GLU A 84 7.767 9.268 -6.547 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.720 10.022 -6.447 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.845 8.122 -6.958 1.00 0.00 O ATOM 0 H GLU A 84 6.169 13.272 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 84 4.584 11.770 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.086 11.816 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.102 10.840 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.866 9.020 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.793 9.999 -7.013 1.00 0.00 H new ATOM 97 N ILE A 85 4.876 10.389 -2.823 1.00 0.00 N ATOM 98 CA ILE A 85 4.260 9.437 -1.903 1.00 0.00 C ATOM 99 C ILE A 85 2.766 9.755 -1.786 1.00 0.00 C ATOM 100 O ILE A 85 1.918 8.870 -1.846 1.00 0.00 O ATOM 101 CB ILE A 85 4.908 9.562 -0.515 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.423 9.380 -0.627 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.349 8.487 0.423 1.00 0.00 C ATOM 104 CD1 ILE A 85 7.067 9.672 0.729 1.00 0.00 C ATOM 0 H ILE A 85 5.660 10.911 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 85 4.402 8.424 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 85 4.684 10.551 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.657 8.363 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.826 10.050 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.814 8.583 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.270 8.612 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.565 7.500 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.147 9.544 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.843 10.697 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.671 8.984 1.476 1.00 0.00 H new ATOM 116 N ARG A 86 2.442 11.026 -1.621 1.00 0.00 N ATOM 117 CA ARG A 86 1.049 11.429 -1.493 1.00 0.00 C ATOM 118 C ARG A 86 0.254 11.049 -2.749 1.00 0.00 C ATOM 119 O ARG A 86 -0.888 10.597 -2.658 1.00 0.00 O ATOM 120 CB ARG A 86 0.994 12.947 -1.254 1.00 0.00 C ATOM 121 CG ARG A 86 1.539 13.283 0.151 1.00 0.00 C ATOM 122 CD ARG A 86 0.423 13.156 1.195 1.00 0.00 C ATOM 123 NE ARG A 86 0.951 13.398 2.532 1.00 0.00 N ATOM 124 CZ ARG A 86 1.380 12.396 3.304 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.402 11.170 2.840 1.00 0.00 N ATOM 126 NH2 ARG A 86 1.790 12.642 4.518 1.00 0.00 N ATOM 0 H ARG A 86 3.115 11.791 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 86 0.596 10.909 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.581 13.464 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.033 13.301 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.360 12.611 0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.942 14.296 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.372 13.869 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.019 12.161 1.146 1.00 0.00 H new ATOM 0 HE ARG A 86 0.994 14.354 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.091 10.980 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.730 10.407 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.782 13.597 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.118 11.879 5.110 1.00 0.00 H new ATOM 140 N GLU A 87 0.870 11.204 -3.916 1.00 0.00 N ATOM 141 CA GLU A 87 0.206 10.857 -5.170 1.00 0.00 C ATOM 142 C GLU A 87 0.175 9.339 -5.382 1.00 0.00 C ATOM 143 O GLU A 87 -0.889 8.721 -5.379 1.00 0.00 O ATOM 144 CB GLU A 87 0.931 11.530 -6.340 1.00 0.00 C ATOM 145 CG GLU A 87 0.720 13.045 -6.264 1.00 0.00 C ATOM 146 CD GLU A 87 1.502 13.740 -7.375 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.132 13.044 -8.154 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.458 14.959 -7.434 1.00 0.00 O ATOM 0 H GLU A 87 1.819 11.564 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.823 11.212 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.995 11.298 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.552 11.146 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.341 13.277 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.045 13.417 -5.292 1.00 0.00 H new ATOM 155 N ALA A 88 1.353 8.758 -5.580 1.00 0.00 N ATOM 156 CA ALA A 88 1.483 7.318 -5.824 1.00 0.00 C ATOM 157 C ALA A 88 0.487 6.531 -4.972 1.00 0.00 C ATOM 158 O ALA A 88 -0.312 5.757 -5.498 1.00 0.00 O ATOM 159 CB ALA A 88 2.910 6.871 -5.509 1.00 0.00 C ATOM 0 H ALA A 88 2.240 9.262 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 88 1.264 7.121 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.004 5.800 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.610 7.411 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.135 7.083 -4.464 1.00 0.00 H new ATOM 165 N PHE A 89 0.531 6.741 -3.657 1.00 0.00 N ATOM 166 CA PHE A 89 -0.379 6.050 -2.756 1.00 0.00 C ATOM 167 C PHE A 89 -1.836 6.455 -3.029 1.00 0.00 C ATOM 168 O PHE A 89 -2.729 5.612 -3.054 1.00 0.00 O ATOM 169 CB PHE A 89 0.000 6.370 -1.316 1.00 0.00 C ATOM 170 CG PHE A 89 1.254 5.603 -0.941 1.00 0.00 C ATOM 171 CD1 PHE A 89 2.489 5.961 -1.492 1.00 0.00 C ATOM 172 CD2 PHE A 89 1.183 4.526 -0.055 1.00 0.00 C ATOM 173 CE1 PHE A 89 3.643 5.261 -1.153 1.00 0.00 C ATOM 174 CE2 PHE A 89 2.342 3.828 0.277 1.00 0.00 C ATOM 175 CZ PHE A 89 3.570 4.193 -0.264 1.00 0.00 C ATOM 0 H PHE A 89 1.182 7.379 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.295 4.976 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.168 7.441 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.817 6.103 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.547 6.787 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.234 4.236 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.594 5.546 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.286 2.995 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.464 3.650 0.005 1.00 0.00 H new ATOM 185 N ARG A 90 -2.084 7.749 -3.255 1.00 0.00 N ATOM 186 CA ARG A 90 -3.449 8.190 -3.545 1.00 0.00 C ATOM 187 C ARG A 90 -3.992 7.414 -4.753 1.00 0.00 C ATOM 188 O ARG A 90 -5.125 6.934 -4.742 1.00 0.00 O ATOM 189 CB ARG A 90 -3.462 9.699 -3.825 1.00 0.00 C ATOM 190 CG ARG A 90 -3.739 10.465 -2.519 1.00 0.00 C ATOM 191 CD ARG A 90 -3.662 11.954 -2.793 1.00 0.00 C ATOM 192 NE ARG A 90 -3.867 12.723 -1.564 1.00 0.00 N ATOM 193 CZ ARG A 90 -5.090 13.047 -1.138 1.00 0.00 C ATOM 194 NH1 ARG A 90 -6.139 12.677 -1.825 1.00 0.00 N ATOM 195 NH2 ARG A 90 -5.243 13.736 -0.034 1.00 0.00 N ATOM 0 H ARG A 90 -1.381 8.488 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.087 7.993 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.505 10.009 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.226 9.935 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.724 10.204 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.012 10.185 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.690 12.199 -3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.415 12.232 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.056 13.018 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.022 12.141 -2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.074 12.924 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.426 14.027 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.179 13.982 0.288 1.00 0.00 H new ATOM 209 N VAL A 91 -3.163 7.290 -5.785 1.00 0.00 N ATOM 210 CA VAL A 91 -3.551 6.569 -6.992 1.00 0.00 C ATOM 211 C VAL A 91 -3.825 5.100 -6.668 1.00 0.00 C ATOM 212 O VAL A 91 -4.798 4.518 -7.147 1.00 0.00 O ATOM 213 CB VAL A 91 -2.430 6.667 -8.035 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.759 5.789 -9.247 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.282 8.121 -8.492 1.00 0.00 C ATOM 0 H VAL A 91 -2.220 7.679 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.461 7.017 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.498 6.324 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.957 5.866 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.860 4.752 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.694 6.124 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.486 8.190 -9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.219 8.461 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.036 8.748 -7.635 1.00 0.00 H new ATOM 225 N PHE A 92 -2.951 4.512 -5.859 1.00 0.00 N ATOM 226 CA PHE A 92 -3.085 3.106 -5.478 1.00 0.00 C ATOM 227 C PHE A 92 -4.507 2.809 -5.027 1.00 0.00 C ATOM 228 O PHE A 92 -5.148 1.916 -5.573 1.00 0.00 O ATOM 229 CB PHE A 92 -2.084 2.770 -4.348 1.00 0.00 C ATOM 230 CG PHE A 92 -0.775 2.312 -4.943 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.269 2.923 -6.100 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.072 1.267 -4.341 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.937 2.485 -6.650 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.135 0.831 -4.888 1.00 0.00 C ATOM 235 CZ PHE A 92 1.639 1.438 -6.046 1.00 0.00 C ATOM 0 H PHE A 92 -2.143 4.984 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.863 2.485 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.922 3.647 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.495 1.991 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.812 3.732 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.463 0.796 -3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.327 2.954 -7.541 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.681 0.026 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.571 1.097 -6.472 1.00 0.00 H new ATOM 245 N ASP A 93 -5.001 3.553 -4.045 1.00 0.00 N ATOM 246 CA ASP A 93 -6.359 3.334 -3.565 1.00 0.00 C ATOM 247 C ASP A 93 -7.342 3.434 -4.733 1.00 0.00 C ATOM 248 O ASP A 93 -7.935 4.485 -4.968 1.00 0.00 O ATOM 249 CB ASP A 93 -6.710 4.384 -2.508 1.00 0.00 C ATOM 250 CG ASP A 93 -7.976 3.982 -1.758 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.353 2.826 -1.847 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.548 4.837 -1.107 1.00 0.00 O ATOM 0 H ASP A 93 -4.492 4.300 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.425 2.340 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.883 4.493 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.854 5.354 -2.984 1.00 0.00 H new ATOM 257 N LYS A 94 -7.489 2.337 -5.473 1.00 0.00 N ATOM 258 CA LYS A 94 -8.378 2.313 -6.632 1.00 0.00 C ATOM 259 C LYS A 94 -9.731 2.896 -6.253 1.00 0.00 C ATOM 260 O LYS A 94 -10.229 3.821 -6.898 1.00 0.00 O ATOM 261 CB LYS A 94 -8.542 0.848 -7.122 1.00 0.00 C ATOM 262 CG LYS A 94 -7.696 0.590 -8.370 1.00 0.00 C ATOM 263 CD LYS A 94 -6.207 0.706 -8.025 1.00 0.00 C ATOM 264 CE LYS A 94 -5.368 0.296 -9.244 1.00 0.00 C ATOM 265 NZ LYS A 94 -6.114 0.609 -10.494 1.00 0.00 N ATOM 0 H LYS A 94 -7.006 1.457 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.951 2.913 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.247 0.160 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.591 0.649 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.910 -0.403 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.954 1.307 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.969 1.729 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.969 0.068 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.415 0.824 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.142 -0.770 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.484 0.491 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.925 -0.036 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.455 1.591 -10.458 1.00 0.00 H new ATOM 279 N ASP A 95 -10.307 2.349 -5.197 1.00 0.00 N ATOM 280 CA ASP A 95 -11.598 2.803 -4.711 1.00 0.00 C ATOM 281 C ASP A 95 -11.500 4.242 -4.216 1.00 0.00 C ATOM 282 O ASP A 95 -12.466 4.787 -3.682 1.00 0.00 O ATOM 283 CB ASP A 95 -12.054 1.890 -3.577 1.00 0.00 C ATOM 284 CG ASP A 95 -13.501 2.184 -3.203 1.00 0.00 C ATOM 285 OD1 ASP A 95 -14.215 2.711 -4.041 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.877 1.875 -2.084 1.00 0.00 O ATOM 0 H ASP A 95 -9.899 1.586 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.323 2.767 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.955 0.848 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -11.412 2.032 -2.708 1.00 0.00 H new ATOM 291 N GLY A 96 -10.320 4.840 -4.402 1.00 0.00 N ATOM 292 CA GLY A 96 -10.068 6.221 -3.985 1.00 0.00 C ATOM 293 C GLY A 96 -10.855 6.582 -2.725 1.00 0.00 C ATOM 294 O GLY A 96 -11.525 7.612 -2.685 1.00 0.00 O ATOM 0 H GLY A 96 -9.520 4.385 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.002 6.357 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.341 6.901 -4.792 1.00 0.00 H new ATOM 298 N ASN A 97 -10.774 5.727 -1.697 1.00 0.00 N ATOM 299 CA ASN A 97 -11.494 5.978 -0.444 1.00 0.00 C ATOM 300 C ASN A 97 -10.560 6.503 0.647 1.00 0.00 C ATOM 301 O ASN A 97 -10.954 6.590 1.808 1.00 0.00 O ATOM 302 CB ASN A 97 -12.207 4.705 0.027 1.00 0.00 C ATOM 303 CG ASN A 97 -11.237 3.532 0.134 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.039 3.728 0.335 1.00 0.00 O ATOM 305 ND2 ASN A 97 -11.695 2.312 0.013 1.00 0.00 N ATOM 0 H ASN A 97 -10.225 4.867 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.240 6.749 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.672 4.884 0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.007 4.455 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.058 1.519 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.689 2.155 -0.154 1.00 0.00 H new ATOM 312 N GLY A 98 -9.338 6.881 0.267 1.00 0.00 N ATOM 313 CA GLY A 98 -8.386 7.424 1.233 1.00 0.00 C ATOM 314 C GLY A 98 -7.884 6.346 2.184 1.00 0.00 C ATOM 315 O GLY A 98 -7.703 6.590 3.377 1.00 0.00 O ATOM 0 H GLY A 98 -8.989 6.822 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.542 7.867 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.860 8.223 1.804 1.00 0.00 H new ATOM 319 N TYR A 99 -7.662 5.153 1.646 1.00 0.00 N ATOM 320 CA TYR A 99 -7.173 4.037 2.444 1.00 0.00 C ATOM 321 C TYR A 99 -6.537 2.985 1.538 1.00 0.00 C ATOM 322 O TYR A 99 -6.696 3.055 0.322 1.00 0.00 O ATOM 323 CB TYR A 99 -8.324 3.428 3.231 1.00 0.00 C ATOM 324 CG TYR A 99 -8.736 4.378 4.336 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.900 4.568 5.443 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.947 5.075 4.248 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.274 5.453 6.463 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.321 5.961 5.269 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.485 6.148 6.376 1.00 0.00 C ATOM 330 OH TYR A 99 -9.856 7.020 7.381 1.00 0.00 O ATOM 0 H TYR A 99 -7.813 4.934 0.661 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.417 4.398 3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.168 3.234 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.023 2.469 3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.965 4.031 5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.593 4.931 3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.628 5.599 7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.255 6.499 5.201 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.724 7.420 7.163 1.00 0.00 H new ATOM 340 N ILE A 100 -5.795 2.028 2.120 1.00 0.00 N ATOM 341 CA ILE A 100 -5.126 0.991 1.318 1.00 0.00 C ATOM 342 C ILE A 100 -5.546 -0.417 1.717 1.00 0.00 C ATOM 343 O ILE A 100 -5.250 -0.866 2.832 1.00 0.00 O ATOM 344 CB ILE A 100 -3.616 1.126 1.500 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.166 2.530 1.042 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.895 0.062 0.676 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.494 2.757 -0.441 1.00 0.00 C ATOM 0 H ILE A 100 -5.645 1.951 3.126 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.416 1.139 0.278 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.368 0.989 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.660 3.290 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.094 2.642 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.818 0.165 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.209 -0.928 1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.142 0.189 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.167 3.753 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.979 2.011 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.570 2.668 -0.593 1.00 0.00 H new ATOM 359 N SER A 101 -6.214 -1.120 0.785 1.00 0.00 N ATOM 360 CA SER A 101 -6.655 -2.496 1.022 1.00 0.00 C ATOM 361 C SER A 101 -5.672 -3.469 0.375 1.00 0.00 C ATOM 362 O SER A 101 -4.907 -3.094 -0.512 1.00 0.00 O ATOM 363 CB SER A 101 -8.053 -2.733 0.430 1.00 0.00 C ATOM 364 OG SER A 101 -7.929 -3.160 -0.916 1.00 0.00 O ATOM 0 H SER A 101 -6.457 -0.754 -0.136 1.00 0.00 H new ATOM 0 HA SER A 101 -6.694 -2.660 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.584 -3.485 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.641 -1.817 0.479 1.00 0.00 H new ATOM 0 HG SER A 101 -8.820 -3.313 -1.294 1.00 0.00 H new ATOM 370 N ALA A 102 -5.696 -4.714 0.835 1.00 0.00 N ATOM 371 CA ALA A 102 -4.803 -5.751 0.319 1.00 0.00 C ATOM 372 C ALA A 102 -5.080 -6.063 -1.148 1.00 0.00 C ATOM 373 O ALA A 102 -4.151 -6.333 -1.912 1.00 0.00 O ATOM 374 CB ALA A 102 -4.962 -7.036 1.163 1.00 0.00 C ATOM 0 H ALA A 102 -6.328 -5.034 1.569 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.781 -5.378 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.296 -7.809 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.709 -6.823 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.993 -7.384 1.105 1.00 0.00 H new ATOM 380 N ALA A 103 -6.346 -6.052 -1.533 1.00 0.00 N ATOM 381 CA ALA A 103 -6.717 -6.360 -2.903 1.00 0.00 C ATOM 382 C ALA A 103 -6.075 -5.395 -3.896 1.00 0.00 C ATOM 383 O ALA A 103 -5.704 -5.792 -5.003 1.00 0.00 O ATOM 384 CB ALA A 103 -8.240 -6.304 -3.041 1.00 0.00 C ATOM 0 H ALA A 103 -7.130 -5.834 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.354 -7.362 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.521 -6.535 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.693 -7.032 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.592 -5.305 -2.784 1.00 0.00 H new ATOM 390 N GLU A 104 -5.955 -4.131 -3.511 1.00 0.00 N ATOM 391 CA GLU A 104 -5.368 -3.132 -4.391 1.00 0.00 C ATOM 392 C GLU A 104 -3.878 -3.398 -4.609 1.00 0.00 C ATOM 393 O GLU A 104 -3.350 -3.140 -5.685 1.00 0.00 O ATOM 394 CB GLU A 104 -5.546 -1.742 -3.769 1.00 0.00 C ATOM 395 CG GLU A 104 -7.033 -1.466 -3.565 1.00 0.00 C ATOM 396 CD GLU A 104 -7.245 -0.123 -2.861 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.593 0.106 -1.852 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.050 0.652 -3.341 1.00 0.00 O ATOM 0 H GLU A 104 -6.254 -3.776 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.873 -3.183 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.020 -1.688 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.109 -0.982 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.542 -1.461 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.478 -2.266 -2.974 1.00 0.00 H new ATOM 405 N LEU A 105 -3.196 -3.902 -3.583 1.00 0.00 N ATOM 406 CA LEU A 105 -1.764 -4.163 -3.705 1.00 0.00 C ATOM 407 C LEU A 105 -1.484 -5.260 -4.725 1.00 0.00 C ATOM 408 O LEU A 105 -0.735 -5.051 -5.681 1.00 0.00 O ATOM 409 CB LEU A 105 -1.207 -4.578 -2.346 1.00 0.00 C ATOM 410 CG LEU A 105 -1.692 -3.608 -1.262 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.959 -3.895 0.052 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.424 -2.160 -1.688 1.00 0.00 C ATOM 0 H LEU A 105 -3.601 -4.134 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.279 -3.249 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.527 -5.592 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.117 -4.586 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.764 -3.746 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.306 -3.204 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.162 -4.919 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.114 -3.767 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.773 -1.481 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.354 -2.018 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.954 -1.950 -2.617 1.00 0.00 H new ATOM 424 N ARG A 106 -2.084 -6.425 -4.526 1.00 0.00 N ATOM 425 CA ARG A 106 -1.870 -7.535 -5.444 1.00 0.00 C ATOM 426 C ARG A 106 -2.264 -7.146 -6.865 1.00 0.00 C ATOM 427 O ARG A 106 -1.511 -7.391 -7.811 1.00 0.00 O ATOM 428 CB ARG A 106 -2.670 -8.772 -4.990 1.00 0.00 C ATOM 429 CG ARG A 106 -4.175 -8.469 -4.967 1.00 0.00 C ATOM 430 CD ARG A 106 -4.916 -9.654 -4.351 1.00 0.00 C ATOM 431 NE ARG A 106 -6.355 -9.426 -4.377 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.102 -9.780 -5.427 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.555 -10.380 -6.453 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.389 -9.543 -5.417 1.00 0.00 N ATOM 0 H ARG A 106 -2.714 -6.625 -3.749 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.808 -7.782 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.473 -9.606 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.341 -9.079 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.367 -7.565 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.537 -8.285 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.676 -10.565 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.584 -9.804 -3.324 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.803 -8.985 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.555 -10.579 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.129 -10.648 -7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.818 -9.090 -4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.963 -9.811 -6.216 1.00 0.00 H new ATOM 448 N HIS A 107 -3.433 -6.531 -7.016 1.00 0.00 N ATOM 449 CA HIS A 107 -3.902 -6.114 -8.327 1.00 0.00 C ATOM 450 C HIS A 107 -2.976 -5.064 -8.921 1.00 0.00 C ATOM 451 O HIS A 107 -2.609 -5.147 -10.090 1.00 0.00 O ATOM 452 CB HIS A 107 -5.315 -5.537 -8.196 1.00 0.00 C ATOM 453 CG HIS A 107 -5.883 -5.203 -9.554 1.00 0.00 C ATOM 454 ND1 HIS A 107 -5.090 -4.794 -10.617 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.172 -5.190 -10.026 1.00 0.00 C ATOM 456 CE1 HIS A 107 -5.905 -4.553 -11.662 1.00 0.00 C ATOM 457 NE2 HIS A 107 -7.184 -4.779 -11.354 1.00 0.00 N ATOM 0 H HIS A 107 -4.068 -6.312 -6.249 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.912 -6.980 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.962 -6.256 -7.693 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.291 -4.641 -7.576 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.075 -4.694 -10.608 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.046 -5.459 -9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.565 -4.218 -12.631 1.00 0.00 H new ATOM 466 N VAL A 108 -2.597 -4.078 -8.115 1.00 0.00 N ATOM 467 CA VAL A 108 -1.711 -3.025 -8.598 1.00 0.00 C ATOM 468 C VAL A 108 -0.355 -3.604 -8.992 1.00 0.00 C ATOM 469 O VAL A 108 0.147 -3.312 -10.067 1.00 0.00 O ATOM 470 CB VAL A 108 -1.538 -1.946 -7.522 1.00 0.00 C ATOM 471 CG1 VAL A 108 -0.420 -0.973 -7.932 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.859 -1.172 -7.352 1.00 0.00 C ATOM 0 H VAL A 108 -2.883 -3.986 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.160 -2.571 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.270 -2.421 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.302 -0.209 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.516 -1.521 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.680 -0.498 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.736 -0.405 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.129 -0.701 -8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.648 -1.861 -7.051 1.00 0.00 H new ATOM 482 N MET A 109 0.237 -4.415 -8.125 1.00 0.00 N ATOM 483 CA MET A 109 1.541 -4.999 -8.427 1.00 0.00 C ATOM 484 C MET A 109 1.455 -5.818 -9.713 1.00 0.00 C ATOM 485 O MET A 109 2.284 -5.669 -10.615 1.00 0.00 O ATOM 486 CB MET A 109 1.979 -5.896 -7.266 1.00 0.00 C ATOM 487 CG MET A 109 2.522 -5.040 -6.116 1.00 0.00 C ATOM 488 SD MET A 109 4.109 -4.315 -6.597 1.00 0.00 S ATOM 489 CE MET A 109 4.506 -3.555 -5.002 1.00 0.00 C ATOM 0 H MET A 109 -0.155 -4.681 -7.222 1.00 0.00 H new ATOM 0 HA MET A 109 2.272 -4.202 -8.563 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.136 -6.493 -6.919 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.745 -6.594 -7.604 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.811 -4.252 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.646 -5.651 -5.222 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.465 -3.042 -5.072 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.729 -2.837 -4.738 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.563 -4.327 -4.235 1.00 0.00 H new ATOM 499 N THR A 110 0.435 -6.660 -9.803 1.00 0.00 N ATOM 500 CA THR A 110 0.239 -7.476 -10.994 1.00 0.00 C ATOM 501 C THR A 110 -0.024 -6.580 -12.200 1.00 0.00 C ATOM 502 O THR A 110 0.537 -6.792 -13.275 1.00 0.00 O ATOM 503 CB THR A 110 -0.936 -8.432 -10.792 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.648 -9.311 -9.713 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.168 -9.246 -12.070 1.00 0.00 C ATOM 0 H THR A 110 -0.264 -6.796 -9.073 1.00 0.00 H new ATOM 0 HA THR A 110 1.142 -8.060 -11.172 1.00 0.00 H new ATOM 0 HB THR A 110 -1.835 -7.858 -10.566 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.867 -8.871 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.007 -9.926 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.391 -8.571 -12.896 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.272 -9.821 -12.303 1.00 0.00 H new ATOM 513 N ASN A 111 -0.877 -5.577 -12.013 1.00 0.00 N ATOM 514 CA ASN A 111 -1.205 -4.641 -13.086 1.00 0.00 C ATOM 515 C ASN A 111 0.031 -3.861 -13.510 1.00 0.00 C ATOM 516 O ASN A 111 0.246 -3.595 -14.692 1.00 0.00 O ATOM 517 CB ASN A 111 -2.281 -3.672 -12.602 1.00 0.00 C ATOM 518 CG ASN A 111 -2.789 -2.819 -13.765 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.917 -3.312 -14.885 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.086 -1.566 -13.559 1.00 0.00 N ATOM 0 H ASN A 111 -1.353 -5.391 -11.130 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.573 -5.203 -13.944 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.109 -4.228 -12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.876 -3.029 -11.820 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.426 -0.989 -14.328 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.978 -1.163 -12.628 1.00 0.00 H new ATOM 527 N LEU A 112 0.839 -3.507 -12.526 1.00 0.00 N ATOM 528 CA LEU A 112 2.065 -2.757 -12.771 1.00 0.00 C ATOM 529 C LEU A 112 2.981 -3.547 -13.684 1.00 0.00 C ATOM 530 O LEU A 112 3.653 -2.975 -14.539 1.00 0.00 O ATOM 531 CB LEU A 112 2.774 -2.464 -11.436 1.00 0.00 C ATOM 532 CG LEU A 112 2.176 -1.205 -10.778 1.00 0.00 C ATOM 533 CD1 LEU A 112 2.745 -1.055 -9.360 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.519 0.057 -11.613 1.00 0.00 C ATOM 0 H LEU A 112 0.670 -3.727 -11.544 1.00 0.00 H new ATOM 0 HA LEU A 112 1.815 -1.813 -13.254 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.670 -3.317 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.841 -2.322 -11.607 1.00 0.00 H new ATOM 0 HG LEU A 112 1.092 -1.309 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.324 -0.165 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.486 -1.933 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.830 -0.959 -9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.089 0.937 -11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.601 0.169 -11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.107 -0.048 -12.617 1.00 0.00 H new ATOM 546 N GLY A 113 3.008 -4.860 -13.498 1.00 0.00 N ATOM 547 CA GLY A 113 3.854 -5.723 -14.318 1.00 0.00 C ATOM 548 C GLY A 113 4.576 -6.751 -13.454 1.00 0.00 C ATOM 549 O GLY A 113 5.373 -7.537 -13.957 1.00 0.00 O ATOM 0 H GLY A 113 2.459 -5.350 -12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.246 -6.232 -15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.583 -5.119 -14.858 1.00 0.00 H new ATOM 553 N GLU A 114 4.292 -6.739 -12.150 1.00 0.00 N ATOM 554 CA GLU A 114 4.924 -7.679 -11.217 1.00 0.00 C ATOM 555 C GLU A 114 3.864 -8.479 -10.465 1.00 0.00 C ATOM 556 O GLU A 114 3.054 -7.916 -9.731 1.00 0.00 O ATOM 557 CB GLU A 114 5.794 -6.905 -10.226 1.00 0.00 C ATOM 558 CG GLU A 114 6.911 -6.162 -10.983 1.00 0.00 C ATOM 559 CD GLU A 114 6.383 -4.847 -11.554 1.00 0.00 C ATOM 560 OE1 GLU A 114 5.190 -4.606 -11.438 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.178 -4.099 -12.100 1.00 0.00 O ATOM 0 H GLU A 114 3.632 -6.093 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 114 5.545 -8.374 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.183 -6.194 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.229 -7.589 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.746 -5.965 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.292 -6.789 -11.789 1.00 0.00 H new ATOM 568 N LYS A 115 3.877 -9.798 -10.661 1.00 0.00 N ATOM 569 CA LYS A 115 2.912 -10.682 -10.005 1.00 0.00 C ATOM 570 C LYS A 115 3.433 -11.159 -8.648 1.00 0.00 C ATOM 571 O LYS A 115 4.181 -12.134 -8.563 1.00 0.00 O ATOM 572 CB LYS A 115 2.625 -11.892 -10.902 1.00 0.00 C ATOM 573 CG LYS A 115 1.542 -12.766 -10.263 1.00 0.00 C ATOM 574 CD LYS A 115 1.176 -13.910 -11.214 1.00 0.00 C ATOM 575 CE LYS A 115 0.070 -14.764 -10.588 1.00 0.00 C ATOM 576 NZ LYS A 115 0.570 -15.392 -9.335 1.00 0.00 N ATOM 0 H LYS A 115 4.543 -10.277 -11.267 1.00 0.00 H new ATOM 0 HA LYS A 115 1.993 -10.120 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.301 -11.557 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.536 -12.473 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.898 -13.168 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.659 -12.166 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.842 -13.508 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.054 -14.524 -11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.802 -14.147 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.249 -15.534 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.045 -16.190 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 1.540 -15.736 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.565 -14.689 -8.568 1.00 0.00 H new ATOM 590 N LEU A 116 3.025 -10.457 -7.589 1.00 0.00 N ATOM 591 CA LEU A 116 3.438 -10.799 -6.227 1.00 0.00 C ATOM 592 C LEU A 116 2.624 -11.987 -5.716 1.00 0.00 C ATOM 593 O LEU A 116 1.873 -12.606 -6.469 1.00 0.00 O ATOM 594 CB LEU A 116 3.238 -9.571 -5.292 1.00 0.00 C ATOM 595 CG LEU A 116 4.585 -9.034 -4.788 1.00 0.00 C ATOM 596 CD1 LEU A 116 5.316 -8.331 -5.934 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.334 -8.044 -3.650 1.00 0.00 C ATOM 0 H LEU A 116 2.408 -9.647 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 116 4.493 -11.073 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.707 -8.784 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.615 -9.854 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 116 5.199 -9.858 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.272 -7.950 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.488 -9.039 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.709 -7.503 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.286 -7.658 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.723 -7.218 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.813 -8.549 -2.837 1.00 0.00 H new ATOM 609 N THR A 117 2.774 -12.290 -4.422 1.00 0.00 N ATOM 610 CA THR A 117 2.038 -13.393 -3.798 1.00 0.00 C ATOM 611 C THR A 117 0.912 -12.844 -2.919 1.00 0.00 C ATOM 612 O THR A 117 1.153 -12.043 -2.012 1.00 0.00 O ATOM 613 CB THR A 117 2.985 -14.245 -2.947 1.00 0.00 C ATOM 614 OG1 THR A 117 3.779 -13.397 -2.131 1.00 0.00 O ATOM 615 CG2 THR A 117 3.890 -15.079 -3.858 1.00 0.00 C ATOM 0 H THR A 117 3.397 -11.788 -3.789 1.00 0.00 H new ATOM 0 HA THR A 117 1.608 -14.013 -4.585 1.00 0.00 H new ATOM 0 HB THR A 117 2.401 -14.914 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.489 -12.994 -2.672 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.562 -15.683 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.278 -15.732 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.475 -14.416 -4.495 1.00 0.00 H new ATOM 623 N ASP A 118 -0.316 -13.272 -3.203 1.00 0.00 N ATOM 624 CA ASP A 118 -1.476 -12.808 -2.447 1.00 0.00 C ATOM 625 C ASP A 118 -1.303 -13.121 -0.963 1.00 0.00 C ATOM 626 O ASP A 118 -1.735 -12.352 -0.103 1.00 0.00 O ATOM 627 CB ASP A 118 -2.746 -13.492 -2.963 1.00 0.00 C ATOM 628 CG ASP A 118 -3.135 -12.921 -4.326 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.642 -11.859 -4.666 1.00 0.00 O ATOM 630 OD2 ASP A 118 -3.920 -13.556 -5.007 1.00 0.00 O ATOM 0 H ASP A 118 -0.533 -13.936 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.564 -11.729 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.582 -14.567 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.560 -13.346 -2.253 1.00 0.00 H new ATOM 635 N GLU A 119 -0.677 -14.257 -0.669 1.00 0.00 N ATOM 636 CA GLU A 119 -0.457 -14.665 0.715 1.00 0.00 C ATOM 637 C GLU A 119 0.428 -13.646 1.440 1.00 0.00 C ATOM 638 O GLU A 119 0.205 -13.333 2.615 1.00 0.00 O ATOM 639 CB GLU A 119 0.207 -16.049 0.740 1.00 0.00 C ATOM 640 CG GLU A 119 -0.755 -17.078 0.145 1.00 0.00 C ATOM 641 CD GLU A 119 -0.086 -18.453 0.055 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.077 -18.552 0.410 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.750 -19.387 -0.368 1.00 0.00 O ATOM 0 H GLU A 119 -0.315 -14.908 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.418 -14.713 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.136 -16.030 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.465 -16.323 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.652 -17.144 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.072 -16.756 -0.847 1.00 0.00 H new ATOM 650 N GLU A 120 1.400 -13.092 0.720 1.00 0.00 N ATOM 651 CA GLU A 120 2.275 -12.074 1.301 1.00 0.00 C ATOM 652 C GLU A 120 1.530 -10.748 1.421 1.00 0.00 C ATOM 653 O GLU A 120 1.581 -10.086 2.456 1.00 0.00 O ATOM 654 CB GLU A 120 3.532 -11.883 0.443 1.00 0.00 C ATOM 655 CG GLU A 120 4.406 -13.139 0.526 1.00 0.00 C ATOM 656 CD GLU A 120 5.638 -12.979 -0.360 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.850 -11.884 -0.855 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.350 -13.954 -0.538 1.00 0.00 O ATOM 0 H GLU A 120 1.601 -13.325 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 120 2.577 -12.410 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.252 -11.690 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.092 -11.014 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.711 -13.312 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.833 -14.012 0.212 1.00 0.00 H new ATOM 665 N VAL A 121 0.815 -10.384 0.361 1.00 0.00 N ATOM 666 CA VAL A 121 0.038 -9.145 0.362 1.00 0.00 C ATOM 667 C VAL A 121 -0.909 -9.142 1.559 1.00 0.00 C ATOM 668 O VAL A 121 -0.780 -8.319 2.465 1.00 0.00 O ATOM 669 CB VAL A 121 -0.767 -9.039 -0.946 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.875 -7.990 -0.814 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.170 -8.642 -2.096 1.00 0.00 C ATOM 0 H VAL A 121 0.756 -10.922 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 121 0.711 -8.291 0.435 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.221 -10.008 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.433 -7.930 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.550 -8.273 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.432 -7.019 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.401 -8.567 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.630 -7.679 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.947 -9.398 -2.209 1.00 0.00 H new ATOM 681 N ASP A 122 -1.847 -10.083 1.555 1.00 0.00 N ATOM 682 CA ASP A 122 -2.809 -10.203 2.639 1.00 0.00 C ATOM 683 C ASP A 122 -2.092 -10.112 3.982 1.00 0.00 C ATOM 684 O ASP A 122 -2.558 -9.421 4.890 1.00 0.00 O ATOM 685 CB ASP A 122 -3.534 -11.545 2.511 1.00 0.00 C ATOM 686 CG ASP A 122 -4.755 -11.591 3.421 1.00 0.00 C ATOM 687 OD1 ASP A 122 -5.162 -10.542 3.891 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.270 -12.677 3.631 1.00 0.00 O ATOM 0 H ASP A 122 -1.960 -10.773 0.812 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.535 -9.392 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.840 -11.700 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.853 -12.357 2.767 1.00 0.00 H new ATOM 693 N GLU A 123 -0.950 -10.793 4.100 1.00 0.00 N ATOM 694 CA GLU A 123 -0.182 -10.746 5.338 1.00 0.00 C ATOM 695 C GLU A 123 0.487 -9.371 5.516 1.00 0.00 C ATOM 696 O GLU A 123 0.640 -8.889 6.639 1.00 0.00 O ATOM 697 CB GLU A 123 0.884 -11.845 5.348 1.00 0.00 C ATOM 698 CG GLU A 123 1.813 -11.673 6.568 1.00 0.00 C ATOM 699 CD GLU A 123 2.940 -10.696 6.239 1.00 0.00 C ATOM 700 OE1 GLU A 123 3.840 -11.085 5.514 1.00 0.00 O ATOM 701 OE2 GLU A 123 2.888 -9.574 6.718 1.00 0.00 O ATOM 0 H GLU A 123 -0.545 -11.373 3.365 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.871 -10.909 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.407 -12.825 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.468 -11.804 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.241 -11.306 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.231 -12.638 6.855 1.00 0.00 H new ATOM 708 N MET A 124 0.888 -8.758 4.403 1.00 0.00 N ATOM 709 CA MET A 124 1.553 -7.456 4.436 1.00 0.00 C ATOM 710 C MET A 124 0.772 -6.455 5.275 1.00 0.00 C ATOM 711 O MET A 124 1.225 -6.029 6.339 1.00 0.00 O ATOM 712 CB MET A 124 1.688 -6.922 3.004 1.00 0.00 C ATOM 713 CG MET A 124 2.823 -5.899 2.915 1.00 0.00 C ATOM 714 SD MET A 124 4.403 -6.770 2.776 1.00 0.00 S ATOM 715 CE MET A 124 5.458 -5.309 2.610 1.00 0.00 C ATOM 0 H MET A 124 0.764 -9.143 3.466 1.00 0.00 H new ATOM 0 HA MET A 124 2.536 -7.585 4.888 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.881 -7.748 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.751 -6.461 2.692 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.676 -5.249 2.052 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.823 -5.261 3.799 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.314 -5.548 1.978 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.888 -4.498 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.809 -5.000 3.595 1.00 0.00 H new ATOM 725 N ILE A 125 -0.401 -6.083 4.791 1.00 0.00 N ATOM 726 CA ILE A 125 -1.235 -5.121 5.502 1.00 0.00 C ATOM 727 C ILE A 125 -1.489 -5.608 6.931 1.00 0.00 C ATOM 728 O ILE A 125 -1.435 -4.825 7.878 1.00 0.00 O ATOM 729 CB ILE A 125 -2.587 -4.939 4.764 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.390 -4.009 3.553 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.647 -4.345 5.726 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.702 -3.901 2.763 1.00 0.00 C ATOM 0 H ILE A 125 -0.797 -6.427 3.916 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.716 -4.163 5.535 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.940 -5.911 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.074 -3.021 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.599 -4.395 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.591 -4.222 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.790 -5.019 6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.306 -3.375 6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.558 -3.242 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.999 -4.890 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.482 -3.494 3.407 1.00 0.00 H new ATOM 744 N ARG A 126 -1.780 -6.888 7.074 1.00 0.00 N ATOM 745 CA ARG A 126 -2.065 -7.452 8.385 1.00 0.00 C ATOM 746 C ARG A 126 -0.952 -7.135 9.380 1.00 0.00 C ATOM 747 O ARG A 126 -1.231 -6.815 10.534 1.00 0.00 O ATOM 748 CB ARG A 126 -2.231 -8.964 8.245 1.00 0.00 C ATOM 749 CG ARG A 126 -3.567 -9.294 7.544 1.00 0.00 C ATOM 750 CD ARG A 126 -4.693 -9.362 8.577 1.00 0.00 C ATOM 751 NE ARG A 126 -5.963 -9.581 7.915 1.00 0.00 N ATOM 752 CZ ARG A 126 -7.102 -9.470 8.587 1.00 0.00 C ATOM 753 NH1 ARG A 126 -7.076 -9.162 9.860 1.00 0.00 N ATOM 754 NH2 ARG A 126 -8.240 -9.667 7.982 1.00 0.00 N ATOM 0 H ARG A 126 -1.826 -7.556 6.304 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.984 -7.008 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.400 -9.376 7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.203 -9.432 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.793 -8.534 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.486 -10.245 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.499 -10.168 9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.728 -8.436 9.150 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.982 -9.823 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.184 -9.009 10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.948 -9.075 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -8.256 -9.907 6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -9.115 -9.581 8.500 1.00 0.00 H new ATOM 768 N GLU A 127 0.299 -7.221 8.943 1.00 0.00 N ATOM 769 CA GLU A 127 1.417 -6.929 9.834 1.00 0.00 C ATOM 770 C GLU A 127 1.660 -5.422 9.924 1.00 0.00 C ATOM 771 O GLU A 127 1.889 -4.891 11.011 1.00 0.00 O ATOM 772 CB GLU A 127 2.680 -7.651 9.350 1.00 0.00 C ATOM 773 CG GLU A 127 2.470 -9.171 9.424 1.00 0.00 C ATOM 774 CD GLU A 127 2.277 -9.617 10.872 1.00 0.00 C ATOM 775 OE1 GLU A 127 2.667 -8.873 11.758 1.00 0.00 O ATOM 776 OE2 GLU A 127 1.743 -10.696 11.074 1.00 0.00 O ATOM 0 H GLU A 127 0.563 -7.486 7.994 1.00 0.00 H new ATOM 0 HA GLU A 127 1.168 -7.291 10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.909 -7.356 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.533 -7.362 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.599 -9.453 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.329 -9.684 8.991 1.00 0.00 H new ATOM 783 N ALA A 128 1.607 -4.739 8.782 1.00 0.00 N ATOM 784 CA ALA A 128 1.825 -3.293 8.757 1.00 0.00 C ATOM 785 C ALA A 128 0.755 -2.571 9.574 1.00 0.00 C ATOM 786 O ALA A 128 1.069 -1.786 10.468 1.00 0.00 O ATOM 787 CB ALA A 128 1.800 -2.797 7.304 1.00 0.00 C ATOM 0 H ALA A 128 1.417 -5.157 7.871 1.00 0.00 H new ATOM 0 HA ALA A 128 2.797 -3.076 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.962 -1.719 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.588 -3.293 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.832 -3.026 6.858 1.00 0.00 H new ATOM 793 N ASP A 129 -0.506 -2.845 9.258 1.00 0.00 N ATOM 794 CA ASP A 129 -1.621 -2.216 9.961 1.00 0.00 C ATOM 795 C ASP A 129 -1.367 -2.203 11.458 1.00 0.00 C ATOM 796 O ASP A 129 -0.995 -3.219 12.042 1.00 0.00 O ATOM 797 CB ASP A 129 -2.910 -2.982 9.668 1.00 0.00 C ATOM 798 CG ASP A 129 -4.111 -2.268 10.277 1.00 0.00 C ATOM 799 OD1 ASP A 129 -3.950 -1.669 11.324 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.172 -2.327 9.678 1.00 0.00 O ATOM 0 H ASP A 129 -0.782 -3.496 8.523 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.718 -1.188 9.613 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.045 -3.078 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.838 -3.992 10.071 1.00 0.00 H new ATOM 805 N ILE A 130 -1.553 -1.039 12.072 1.00 0.00 N ATOM 806 CA ILE A 130 -1.333 -0.890 13.513 1.00 0.00 C ATOM 807 C ILE A 130 -2.616 -1.177 14.288 1.00 0.00 C ATOM 808 O ILE A 130 -2.578 -1.691 15.407 1.00 0.00 O ATOM 809 CB ILE A 130 -0.832 0.526 13.843 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.476 0.783 13.088 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.571 0.647 15.358 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.002 2.187 13.422 1.00 0.00 C ATOM 0 H ILE A 130 -1.854 -0.186 11.600 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.573 -1.612 13.811 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.586 1.255 13.546 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.218 0.032 13.361 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.311 0.692 12.014 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.216 1.652 15.587 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.495 0.456 15.903 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.183 -0.081 15.657 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.932 2.365 12.883 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.263 2.932 13.127 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.184 2.262 14.494 1.00 0.00 H new ATOM 824 N ASP A 131 -3.743 -0.833 13.685 1.00 0.00 N ATOM 825 CA ASP A 131 -5.051 -1.044 14.318 1.00 0.00 C ATOM 826 C ASP A 131 -5.634 -2.401 13.919 1.00 0.00 C ATOM 827 O ASP A 131 -6.684 -2.807 14.421 1.00 0.00 O ATOM 828 CB ASP A 131 -6.013 0.071 13.899 1.00 0.00 C ATOM 829 CG ASP A 131 -5.542 1.408 14.467 1.00 0.00 C ATOM 830 OD1 ASP A 131 -4.719 1.393 15.370 1.00 0.00 O ATOM 831 OD2 ASP A 131 -6.009 2.432 13.992 1.00 0.00 O ATOM 0 H ASP A 131 -3.787 -0.407 12.759 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.918 -1.027 15.400 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.066 0.127 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.018 -0.151 14.256 1.00 0.00 H new ATOM 836 N GLY A 132 -4.948 -3.090 13.011 1.00 0.00 N ATOM 837 CA GLY A 132 -5.398 -4.400 12.543 1.00 0.00 C ATOM 838 C GLY A 132 -6.891 -4.384 12.227 1.00 0.00 C ATOM 839 O GLY A 132 -7.679 -5.085 12.861 1.00 0.00 O ATOM 0 H GLY A 132 -4.080 -2.765 12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.837 -4.685 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.192 -5.153 13.304 1.00 0.00 H new ATOM 843 N ASP A 133 -7.272 -3.566 11.246 1.00 0.00 N ATOM 844 CA ASP A 133 -8.675 -3.440 10.846 1.00 0.00 C ATOM 845 C ASP A 133 -8.859 -3.833 9.383 1.00 0.00 C ATOM 846 O ASP A 133 -9.924 -4.308 8.994 1.00 0.00 O ATOM 847 CB ASP A 133 -9.124 -1.995 11.040 1.00 0.00 C ATOM 848 CG ASP A 133 -8.162 -1.050 10.325 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.976 -1.116 10.611 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.623 -0.282 9.500 1.00 0.00 O ATOM 0 H ASP A 133 -6.629 -2.980 10.713 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.276 -4.108 11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.133 -1.863 10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.159 -1.756 12.103 1.00 0.00 H new ATOM 855 N GLY A 134 -7.813 -3.633 8.575 1.00 0.00 N ATOM 856 CA GLY A 134 -7.865 -3.969 7.146 1.00 0.00 C ATOM 857 C GLY A 134 -7.572 -2.755 6.269 1.00 0.00 C ATOM 858 O GLY A 134 -7.462 -2.876 5.052 1.00 0.00 O ATOM 0 H GLY A 134 -6.923 -3.242 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.142 -4.756 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.850 -4.365 6.901 1.00 0.00 H new ATOM 862 N GLN A 135 -7.432 -1.587 6.887 1.00 0.00 N ATOM 863 CA GLN A 135 -7.139 -0.356 6.146 1.00 0.00 C ATOM 864 C GLN A 135 -5.845 0.242 6.665 1.00 0.00 C ATOM 865 O GLN A 135 -5.728 0.557 7.847 1.00 0.00 O ATOM 866 CB GLN A 135 -8.291 0.645 6.303 1.00 0.00 C ATOM 867 CG GLN A 135 -9.591 0.016 5.778 1.00 0.00 C ATOM 868 CD GLN A 135 -9.460 -0.356 4.298 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.193 0.501 3.452 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.632 -1.599 3.933 1.00 0.00 N ATOM 0 H GLN A 135 -7.516 -1.462 7.896 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.030 -0.587 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.406 0.922 7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.069 1.560 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.830 -0.873 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.417 0.715 5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.853 -2.310 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.545 -1.859 2.950 1.00 0.00 H new ATOM 879 N VAL A 136 -4.876 0.410 5.762 1.00 0.00 N ATOM 880 CA VAL A 136 -3.579 0.990 6.133 1.00 0.00 C ATOM 881 C VAL A 136 -3.456 2.407 5.585 1.00 0.00 C ATOM 882 O VAL A 136 -3.658 2.657 4.392 1.00 0.00 O ATOM 883 CB VAL A 136 -2.427 0.117 5.589 1.00 0.00 C ATOM 884 CG1 VAL A 136 -1.131 0.917 5.590 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.236 -1.120 6.475 1.00 0.00 C ATOM 0 H VAL A 136 -4.961 0.156 4.778 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.515 1.025 7.221 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.677 -0.193 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.321 0.298 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.246 1.797 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.897 1.230 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.421 -1.727 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.996 -0.806 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.155 -1.707 6.484 1.00 0.00 H new ATOM 895 N ASN A 137 -3.112 3.327 6.475 1.00 0.00 N ATOM 896 CA ASN A 137 -2.954 4.723 6.083 1.00 0.00 C ATOM 897 C ASN A 137 -1.786 4.865 5.109 1.00 0.00 C ATOM 898 O ASN A 137 -1.436 3.919 4.410 1.00 0.00 O ATOM 899 CB ASN A 137 -2.706 5.588 7.317 1.00 0.00 C ATOM 900 CG ASN A 137 -3.865 5.436 8.292 1.00 0.00 C ATOM 901 OD1 ASN A 137 -5.025 5.582 7.904 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.619 5.147 9.542 1.00 0.00 N ATOM 0 H ASN A 137 -2.938 3.137 7.462 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.869 5.056 5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.773 5.294 7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.599 6.633 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.389 5.041 10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.657 5.027 9.858 1.00 0.00 H new ATOM 909 N TYR A 138 -1.190 6.054 5.057 1.00 0.00 N ATOM 910 CA TYR A 138 -0.065 6.304 4.158 1.00 0.00 C ATOM 911 C TYR A 138 1.270 5.941 4.819 1.00 0.00 C ATOM 912 O TYR A 138 2.034 5.145 4.277 1.00 0.00 O ATOM 913 CB TYR A 138 -0.067 7.777 3.744 1.00 0.00 C ATOM 914 CG TYR A 138 -1.385 8.110 3.079 1.00 0.00 C ATOM 915 CD1 TYR A 138 -2.471 8.539 3.854 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.523 7.992 1.690 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.694 8.848 3.242 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.747 8.302 1.077 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.830 8.731 1.853 1.00 0.00 C ATOM 920 OH TYR A 138 -5.034 9.037 1.250 1.00 0.00 O ATOM 0 H TYR A 138 -1.465 6.856 5.624 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.178 5.673 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.083 8.412 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 138 0.758 7.975 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.366 8.632 4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.687 7.662 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.531 9.176 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.853 8.209 0.006 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.958 8.904 0.282 1.00 0.00 H new ATOM 930 N GLU A 139 1.544 6.520 5.995 1.00 0.00 N ATOM 931 CA GLU A 139 2.800 6.249 6.706 1.00 0.00 C ATOM 932 C GLU A 139 2.920 4.773 7.036 1.00 0.00 C ATOM 933 O GLU A 139 3.816 4.091 6.508 1.00 0.00 O ATOM 934 CB GLU A 139 2.867 7.100 7.975 1.00 0.00 C ATOM 935 CG GLU A 139 2.879 8.577 7.571 1.00 0.00 C ATOM 936 CD GLU A 139 4.165 8.909 6.816 1.00 0.00 C ATOM 937 OE1 GLU A 139 5.229 8.620 7.341 1.00 0.00 O ATOM 938 OE2 GLU A 139 4.070 9.437 5.720 1.00 0.00 O ATOM 0 H GLU A 139 0.920 7.172 6.470 1.00 0.00 H new ATOM 0 HA GLU A 139 3.638 6.514 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.012 6.890 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.762 6.857 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.014 8.797 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.798 9.205 8.458 1.00 0.00 H new ATOM 945 N GLU A 140 2.018 4.296 7.925 1.00 0.00 N ATOM 946 CA GLU A 140 1.991 2.881 8.347 1.00 0.00 C ATOM 947 C GLU A 140 2.440 1.996 7.178 1.00 0.00 C ATOM 948 O GLU A 140 3.002 0.917 7.367 1.00 0.00 O ATOM 949 CB GLU A 140 0.561 2.491 8.736 1.00 0.00 C ATOM 950 CG GLU A 140 0.157 3.131 10.060 1.00 0.00 C ATOM 951 CD GLU A 140 -1.325 2.901 10.326 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.939 2.158 9.576 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.821 3.468 11.280 1.00 0.00 O ATOM 0 H GLU A 140 1.300 4.873 8.363 1.00 0.00 H new ATOM 0 HA GLU A 140 2.658 2.745 9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.130 2.802 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.485 1.406 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.749 2.709 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.368 4.200 10.034 1.00 0.00 H new ATOM 960 N PHE A 141 2.209 2.504 5.960 1.00 0.00 N ATOM 961 CA PHE A 141 2.614 1.812 4.747 1.00 0.00 C ATOM 962 C PHE A 141 4.029 2.216 4.329 1.00 0.00 C ATOM 963 O PHE A 141 4.873 1.346 4.129 1.00 0.00 O ATOM 964 CB PHE A 141 1.650 2.157 3.617 1.00 0.00 C ATOM 965 CG PHE A 141 1.633 1.042 2.585 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.790 0.734 1.855 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.458 0.307 2.369 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.772 -0.299 0.916 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.445 -0.728 1.430 1.00 0.00 C ATOM 970 CZ PHE A 141 1.603 -1.032 0.705 1.00 0.00 C ATOM 0 H PHE A 141 1.741 3.396 5.797 1.00 0.00 H new ATOM 0 HA PHE A 141 2.598 0.741 4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.647 2.308 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.949 3.094 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.697 1.297 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.436 0.541 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.663 -0.531 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.460 -1.294 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.592 -1.834 -0.018 1.00 0.00 H new ATOM 980 N VAL A 142 4.262 3.534 4.160 1.00 0.00 N ATOM 981 CA VAL A 142 5.574 4.039 3.724 1.00 0.00 C ATOM 982 C VAL A 142 6.690 3.149 4.254 1.00 0.00 C ATOM 983 O VAL A 142 7.473 2.597 3.479 1.00 0.00 O ATOM 984 CB VAL A 142 5.777 5.471 4.236 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.246 5.886 4.094 1.00 0.00 C ATOM 986 CG2 VAL A 142 4.897 6.434 3.423 1.00 0.00 C ATOM 0 H VAL A 142 3.563 4.260 4.318 1.00 0.00 H new ATOM 0 HA VAL A 142 5.603 4.033 2.634 1.00 0.00 H new ATOM 0 HB VAL A 142 5.498 5.511 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.374 6.904 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.873 5.209 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.537 5.840 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.040 7.452 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.176 6.381 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.850 6.153 3.535 1.00 0.00 H new ATOM 996 N GLN A 143 6.759 3.015 5.579 1.00 0.00 N ATOM 997 CA GLN A 143 7.801 2.187 6.192 1.00 0.00 C ATOM 998 C GLN A 143 8.000 0.903 5.385 1.00 0.00 C ATOM 999 O GLN A 143 9.048 0.702 4.775 1.00 0.00 O ATOM 1000 CB GLN A 143 7.393 1.840 7.627 1.00 0.00 C ATOM 1001 CG GLN A 143 7.218 3.127 8.442 1.00 0.00 C ATOM 1002 CD GLN A 143 8.540 3.886 8.531 1.00 0.00 C ATOM 1003 OE1 GLN A 143 9.558 3.316 8.931 1.00 0.00 O ATOM 1004 NE2 GLN A 143 8.585 5.144 8.176 1.00 0.00 N ATOM 0 H GLN A 143 6.120 3.459 6.238 1.00 0.00 H new ATOM 0 HA GLN A 143 8.739 2.742 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.463 1.272 7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.151 1.207 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.460 3.758 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.862 2.885 9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.741 5.611 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.465 5.658 8.229 1.00 0.00 H new ATOM 1013 N MET A 144 6.994 0.038 5.385 1.00 0.00 N ATOM 1014 CA MET A 144 7.084 -1.218 4.642 1.00 0.00 C ATOM 1015 C MET A 144 7.676 -0.969 3.252 1.00 0.00 C ATOM 1016 O MET A 144 8.594 -1.669 2.824 1.00 0.00 O ATOM 1017 CB MET A 144 5.689 -1.830 4.502 1.00 0.00 C ATOM 1018 CG MET A 144 5.190 -2.291 5.870 1.00 0.00 C ATOM 1019 SD MET A 144 6.165 -3.718 6.429 1.00 0.00 S ATOM 1020 CE MET A 144 4.791 -4.745 7.015 1.00 0.00 C ATOM 0 H MET A 144 6.115 0.177 5.884 1.00 0.00 H new ATOM 0 HA MET A 144 7.733 -1.905 5.185 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.000 -1.097 4.081 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.719 -2.673 3.812 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.272 -1.477 6.591 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.135 -2.560 5.811 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.171 -5.719 7.323 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.309 -4.258 7.863 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.066 -4.876 6.212 1.00 0.00 H new ATOM 1030 N MET A 145 7.139 0.028 2.548 1.00 0.00 N ATOM 1031 CA MET A 145 7.621 0.347 1.212 1.00 0.00 C ATOM 1032 C MET A 145 8.984 1.035 1.271 1.00 0.00 C ATOM 1033 O MET A 145 9.635 1.228 0.249 1.00 0.00 O ATOM 1034 CB MET A 145 6.616 1.261 0.505 1.00 0.00 C ATOM 1035 CG MET A 145 6.920 1.350 -1.009 1.00 0.00 C ATOM 1036 SD MET A 145 8.079 2.709 -1.332 1.00 0.00 S ATOM 1037 CE MET A 145 6.895 4.071 -1.228 1.00 0.00 C ATOM 0 H MET A 145 6.378 0.621 2.880 1.00 0.00 H new ATOM 0 HA MET A 145 7.728 -0.584 0.656 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.605 0.882 0.655 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.651 2.257 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.344 0.409 -1.359 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.996 1.509 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 145 7.350 4.980 -1.622 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.008 3.827 -1.812 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.612 4.228 -0.187 1.00 0.00 H new