USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 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 Set 1.1: A 101 SER OG : rot 180:sc= -3.47! USER MOD Set 1.2: A 135 GLN : amide:sc= -5.5! C(o=-9!,f=-8.9!) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -0.773 (180deg=-0.895) USER MOD Single : A 97 ASN :FLIP amide:sc= -5.57! C(o=-12!,f=-5.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.406 F(o=-1,f=-0.41) USER MOD Single : A 109 MET CE :methyl -158:sc=-0.00819 (180deg=-0.137) USER MOD Single : A 110 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 111 ASN : amide:sc= -0.045 K(o=-0.045,f=-1.9!) USER MOD Single : A 115 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0424) USER MOD Single : A 117 THR OG1 : rot -79:sc= -4.22! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -1.45! C(o=-1.5!,f=-13!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.12 USER MOD Single : A 143 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.6) USER MOD Single : A 144 MET CE :methyl 143:sc= -1.03 (180deg=-1.4) USER MOD Single : A 145 MET CE :methyl -170:sc= -1.21 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 8.050 14.192 0.402 1.00 0.00 N ATOM 53 CA GLU A 82 7.017 13.355 0.995 1.00 0.00 C ATOM 54 C GLU A 82 5.741 13.426 0.158 1.00 0.00 C ATOM 55 O GLU A 82 4.842 12.599 0.307 1.00 0.00 O ATOM 56 CB GLU A 82 6.735 13.841 2.423 1.00 0.00 C ATOM 57 CG GLU A 82 5.784 12.879 3.138 1.00 0.00 C ATOM 58 CD GLU A 82 5.591 13.323 4.584 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.992 14.431 4.902 1.00 0.00 O ATOM 60 OE2 GLU A 82 5.049 12.548 5.357 1.00 0.00 O ATOM 0 HA GLU A 82 7.358 12.320 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.670 13.918 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.298 14.839 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.823 12.854 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.187 11.867 3.109 1.00 0.00 H new ATOM 67 N GLU A 83 5.669 14.427 -0.714 1.00 0.00 N ATOM 68 CA GLU A 83 4.493 14.608 -1.561 1.00 0.00 C ATOM 69 C GLU A 83 4.326 13.457 -2.558 1.00 0.00 C ATOM 70 O GLU A 83 3.248 12.871 -2.650 1.00 0.00 O ATOM 71 CB GLU A 83 4.592 15.941 -2.307 1.00 0.00 C ATOM 72 CG GLU A 83 3.327 16.164 -3.137 1.00 0.00 C ATOM 73 CD GLU A 83 3.368 17.543 -3.788 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.196 18.344 -3.384 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.568 17.780 -4.677 1.00 0.00 O ATOM 0 H GLU A 83 6.404 15.120 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 83 3.614 14.613 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.721 16.757 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.468 15.942 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.244 15.393 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.445 16.078 -2.502 1.00 0.00 H new ATOM 82 N GLU A 84 5.378 13.129 -3.307 1.00 0.00 N ATOM 83 CA GLU A 84 5.270 12.041 -4.280 1.00 0.00 C ATOM 84 C GLU A 84 4.685 10.814 -3.599 1.00 0.00 C ATOM 85 O GLU A 84 3.785 10.162 -4.133 1.00 0.00 O ATOM 86 CB GLU A 84 6.644 11.694 -4.857 1.00 0.00 C ATOM 87 CG GLU A 84 6.497 10.678 -6.001 1.00 0.00 C ATOM 88 CD GLU A 84 6.259 9.274 -5.446 1.00 0.00 C ATOM 89 OE1 GLU A 84 6.506 9.069 -4.269 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.841 8.421 -6.211 1.00 0.00 O ATOM 0 H GLU A 84 6.289 13.585 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 84 4.620 12.362 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.132 12.597 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.282 11.282 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.667 10.966 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.396 10.684 -6.617 1.00 0.00 H new ATOM 97 N ILE A 85 5.190 10.516 -2.405 1.00 0.00 N ATOM 98 CA ILE A 85 4.699 9.373 -1.648 1.00 0.00 C ATOM 99 C ILE A 85 3.201 9.534 -1.422 1.00 0.00 C ATOM 100 O ILE A 85 2.418 8.613 -1.663 1.00 0.00 O ATOM 101 CB ILE A 85 5.410 9.326 -0.284 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.905 9.053 -0.481 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.822 8.223 0.605 1.00 0.00 C ATOM 104 CD1 ILE A 85 7.625 9.148 0.869 1.00 0.00 C ATOM 0 H ILE A 85 5.931 11.045 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 85 4.896 8.453 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 85 5.265 10.291 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.051 8.063 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.328 9.773 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.342 8.212 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.762 8.415 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.943 7.257 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.688 8.954 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.490 10.147 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.209 8.411 1.556 1.00 0.00 H new ATOM 116 N ARG A 86 2.807 10.717 -0.964 1.00 0.00 N ATOM 117 CA ARG A 86 1.401 10.993 -0.702 1.00 0.00 C ATOM 118 C ARG A 86 0.571 10.772 -1.967 1.00 0.00 C ATOM 119 O ARG A 86 -0.563 10.291 -1.903 1.00 0.00 O ATOM 120 CB ARG A 86 1.239 12.439 -0.193 1.00 0.00 C ATOM 121 CG ARG A 86 1.739 12.531 1.257 1.00 0.00 C ATOM 122 CD ARG A 86 1.672 13.980 1.755 1.00 0.00 C ATOM 123 NE ARG A 86 2.118 14.044 3.142 1.00 0.00 N ATOM 124 CZ ARG A 86 2.147 15.195 3.813 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.716 16.295 3.256 1.00 0.00 N ATOM 126 NH2 ARG A 86 2.596 15.223 5.041 1.00 0.00 N ATOM 0 H ARG A 86 3.437 11.495 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 86 1.041 10.308 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.802 13.124 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.193 12.740 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.133 11.891 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.764 12.166 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.298 14.618 1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.652 14.356 1.673 1.00 0.00 H new ATOM 0 HE ARG A 86 2.415 13.187 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.355 16.276 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.741 17.173 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.923 14.365 5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.619 16.103 5.556 1.00 0.00 H new ATOM 140 N GLU A 87 1.146 11.093 -3.117 1.00 0.00 N ATOM 141 CA GLU A 87 0.439 10.903 -4.376 1.00 0.00 C ATOM 142 C GLU A 87 0.370 9.420 -4.759 1.00 0.00 C ATOM 143 O GLU A 87 -0.704 8.818 -4.752 1.00 0.00 O ATOM 144 CB GLU A 87 1.142 11.685 -5.485 1.00 0.00 C ATOM 145 CG GLU A 87 0.995 13.184 -5.213 1.00 0.00 C ATOM 146 CD GLU A 87 1.738 13.984 -6.275 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.357 13.370 -7.127 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.682 15.203 -6.217 1.00 0.00 O ATOM 0 H GLU A 87 2.085 11.480 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.579 11.271 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.197 11.412 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.709 11.435 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.060 13.459 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.389 13.423 -4.225 1.00 0.00 H new ATOM 155 N ALA A 88 1.529 8.858 -5.104 1.00 0.00 N ATOM 156 CA ALA A 88 1.627 7.456 -5.520 1.00 0.00 C ATOM 157 C ALA A 88 0.651 6.583 -4.740 1.00 0.00 C ATOM 158 O ALA A 88 -0.108 5.801 -5.319 1.00 0.00 O ATOM 159 CB ALA A 88 3.055 6.948 -5.312 1.00 0.00 C ATOM 0 H ALA A 88 2.420 9.355 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 88 1.370 7.397 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.119 5.905 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.745 7.547 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.320 7.029 -4.258 1.00 0.00 H new ATOM 165 N PHE A 89 0.670 6.723 -3.426 1.00 0.00 N ATOM 166 CA PHE A 89 -0.224 5.949 -2.581 1.00 0.00 C ATOM 167 C PHE A 89 -1.686 6.370 -2.784 1.00 0.00 C ATOM 168 O PHE A 89 -2.576 5.521 -2.813 1.00 0.00 O ATOM 169 CB PHE A 89 0.183 6.100 -1.116 1.00 0.00 C ATOM 170 CG PHE A 89 1.292 5.113 -0.799 1.00 0.00 C ATOM 171 CD1 PHE A 89 1.022 3.736 -0.810 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.581 5.567 -0.517 1.00 0.00 C ATOM 173 CE1 PHE A 89 2.042 2.820 -0.535 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.601 4.650 -0.245 1.00 0.00 C ATOM 175 CZ PHE A 89 3.333 3.279 -0.254 1.00 0.00 C ATOM 0 H PHE A 89 1.289 7.360 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.142 4.900 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.521 7.118 -0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.675 5.921 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.025 3.383 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.791 6.626 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.833 1.760 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.598 5.003 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.123 2.573 -0.044 1.00 0.00 H new ATOM 185 N ARG A 90 -1.939 7.676 -2.918 1.00 0.00 N ATOM 186 CA ARG A 90 -3.314 8.158 -3.110 1.00 0.00 C ATOM 187 C ARG A 90 -3.921 7.576 -4.389 1.00 0.00 C ATOM 188 O ARG A 90 -5.051 7.089 -4.385 1.00 0.00 O ATOM 189 CB ARG A 90 -3.322 9.691 -3.175 1.00 0.00 C ATOM 190 CG ARG A 90 -3.519 10.269 -1.771 1.00 0.00 C ATOM 191 CD ARG A 90 -3.462 11.777 -1.864 1.00 0.00 C ATOM 192 NE ARG A 90 -3.595 12.383 -0.537 1.00 0.00 N ATOM 193 CZ ARG A 90 -4.792 12.657 -0.008 1.00 0.00 C ATOM 194 NH1 ARG A 90 -5.881 12.388 -0.679 1.00 0.00 N ATOM 195 NH2 ARG A 90 -4.876 13.197 1.185 1.00 0.00 N ATOM 0 H ARG A 90 -1.227 8.406 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.918 7.829 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.384 10.051 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.121 10.032 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.477 9.950 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.745 9.901 -1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.519 12.083 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.259 12.137 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.754 12.601 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.818 11.969 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.794 12.597 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.027 13.408 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.790 13.405 1.587 1.00 0.00 H new ATOM 209 N VAL A 91 -3.163 7.636 -5.478 1.00 0.00 N ATOM 210 CA VAL A 91 -3.634 7.119 -6.763 1.00 0.00 C ATOM 211 C VAL A 91 -3.758 5.599 -6.714 1.00 0.00 C ATOM 212 O VAL A 91 -4.591 5.008 -7.398 1.00 0.00 O ATOM 213 CB VAL A 91 -2.666 7.528 -7.878 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.636 9.052 -7.994 1.00 0.00 C ATOM 215 CG2 VAL A 91 -1.260 7.033 -7.545 1.00 0.00 C ATOM 0 H VAL A 91 -2.224 8.035 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.617 7.542 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.999 7.089 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.947 9.343 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.635 9.419 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.304 9.482 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.574 7.325 -8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.933 7.473 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.269 5.947 -7.454 1.00 0.00 H new ATOM 225 N PHE A 92 -2.912 4.977 -5.901 1.00 0.00 N ATOM 226 CA PHE A 92 -2.919 3.521 -5.773 1.00 0.00 C ATOM 227 C PHE A 92 -4.308 3.018 -5.380 1.00 0.00 C ATOM 228 O PHE A 92 -4.852 2.120 -6.022 1.00 0.00 O ATOM 229 CB PHE A 92 -1.879 3.095 -4.710 1.00 0.00 C ATOM 230 CG PHE A 92 -0.718 2.365 -5.357 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.027 2.958 -6.419 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.349 1.093 -4.903 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.031 2.276 -7.030 1.00 0.00 C ATOM 234 CE2 PHE A 92 0.711 0.414 -5.511 1.00 0.00 C ATOM 235 CZ PHE A 92 1.400 1.005 -6.576 1.00 0.00 C ATOM 0 H PHE A 92 -2.217 5.451 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.659 3.081 -6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.512 3.974 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.352 2.451 -3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.310 3.941 -6.767 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.883 0.636 -4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.563 2.731 -7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.998 -0.566 -5.159 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.217 0.480 -7.048 1.00 0.00 H new ATOM 245 N ASP A 93 -4.878 3.593 -4.331 1.00 0.00 N ATOM 246 CA ASP A 93 -6.199 3.170 -3.891 1.00 0.00 C ATOM 247 C ASP A 93 -7.138 3.122 -5.088 1.00 0.00 C ATOM 248 O ASP A 93 -7.698 4.139 -5.494 1.00 0.00 O ATOM 249 CB ASP A 93 -6.726 4.144 -2.836 1.00 0.00 C ATOM 250 CG ASP A 93 -7.922 3.539 -2.108 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.200 2.371 -2.330 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.537 4.253 -1.334 1.00 0.00 O ATOM 0 H ASP A 93 -4.457 4.339 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.139 2.176 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.937 4.379 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.016 5.082 -3.310 1.00 0.00 H new ATOM 257 N LYS A 94 -7.287 1.930 -5.664 1.00 0.00 N ATOM 258 CA LYS A 94 -8.144 1.758 -6.832 1.00 0.00 C ATOM 259 C LYS A 94 -9.536 2.293 -6.541 1.00 0.00 C ATOM 260 O LYS A 94 -10.035 3.179 -7.237 1.00 0.00 O ATOM 261 CB LYS A 94 -8.242 0.270 -7.179 1.00 0.00 C ATOM 262 CG LYS A 94 -6.870 -0.244 -7.634 1.00 0.00 C ATOM 263 CD LYS A 94 -6.913 -1.768 -7.823 1.00 0.00 C ATOM 264 CE LYS A 94 -7.628 -2.125 -9.131 1.00 0.00 C ATOM 265 NZ LYS A 94 -7.434 -3.573 -9.425 1.00 0.00 N ATOM 0 H LYS A 94 -6.829 1.077 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.714 2.307 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.583 -0.294 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.978 0.118 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.584 0.238 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.112 0.017 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.899 -2.168 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.429 -2.231 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.691 -1.899 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.235 -1.521 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.065 -3.857 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.446 -3.742 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.656 -4.132 -8.577 1.00 0.00 H new ATOM 279 N ASP A 95 -10.154 1.749 -5.502 1.00 0.00 N ATOM 280 CA ASP A 95 -11.492 2.164 -5.103 1.00 0.00 C ATOM 281 C ASP A 95 -11.444 3.521 -4.410 1.00 0.00 C ATOM 282 O ASP A 95 -12.335 3.853 -3.629 1.00 0.00 O ATOM 283 CB ASP A 95 -12.079 1.126 -4.146 1.00 0.00 C ATOM 284 CG ASP A 95 -13.510 1.496 -3.768 1.00 0.00 C ATOM 285 OD1 ASP A 95 -14.311 1.695 -4.667 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.786 1.571 -2.581 1.00 0.00 O ATOM 0 H ASP A 95 -9.749 1.017 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.116 2.245 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.063 0.142 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -11.464 1.062 -3.248 1.00 0.00 H new ATOM 291 N GLY A 96 -10.396 4.295 -4.720 1.00 0.00 N ATOM 292 CA GLY A 96 -10.203 5.634 -4.146 1.00 0.00 C ATOM 293 C GLY A 96 -10.912 5.790 -2.802 1.00 0.00 C ATOM 294 O GLY A 96 -11.550 6.809 -2.543 1.00 0.00 O ATOM 0 H GLY A 96 -9.663 4.014 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.137 5.823 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.578 6.384 -4.842 1.00 0.00 H new ATOM 298 N ASN A 97 -10.808 4.767 -1.956 1.00 0.00 N ATOM 299 CA ASN A 97 -11.462 4.805 -0.652 1.00 0.00 C ATOM 300 C ASN A 97 -10.722 5.728 0.315 1.00 0.00 C ATOM 301 O ASN A 97 -11.211 6.002 1.410 1.00 0.00 O ATOM 302 CB ASN A 97 -11.574 3.395 -0.061 1.00 0.00 C ATOM 303 CG ASN A 97 -10.241 2.659 -0.149 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.256 3.014 0.627 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -10.098 1.728 -0.942 1.00 0.00 N flip ATOM 0 H ASN A 97 -10.284 3.913 -2.147 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.466 5.204 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.891 3.457 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.340 2.833 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.870 1.452 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.207 1.233 -0.992 1.00 0.00 H new ATOM 312 N GLY A 98 -9.550 6.221 -0.095 1.00 0.00 N ATOM 313 CA GLY A 98 -8.767 7.130 0.749 1.00 0.00 C ATOM 314 C GLY A 98 -7.755 6.372 1.598 1.00 0.00 C ATOM 315 O GLY A 98 -7.028 6.965 2.394 1.00 0.00 O ATOM 0 H GLY A 98 -9.125 6.009 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.247 7.854 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.437 7.694 1.397 1.00 0.00 H new ATOM 319 N TYR A 99 -7.713 5.057 1.416 1.00 0.00 N ATOM 320 CA TYR A 99 -6.786 4.204 2.159 1.00 0.00 C ATOM 321 C TYR A 99 -6.267 3.090 1.255 1.00 0.00 C ATOM 322 O TYR A 99 -6.495 3.116 0.047 1.00 0.00 O ATOM 323 CB TYR A 99 -7.477 3.619 3.385 1.00 0.00 C ATOM 324 CG TYR A 99 -7.874 4.737 4.322 1.00 0.00 C ATOM 325 CD1 TYR A 99 -6.972 5.198 5.291 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.147 5.312 4.223 1.00 0.00 C ATOM 327 CE1 TYR A 99 -7.344 6.233 6.159 1.00 0.00 C ATOM 328 CE2 TYR A 99 -9.519 6.346 5.091 1.00 0.00 C ATOM 329 CZ TYR A 99 -8.618 6.807 6.059 1.00 0.00 C ATOM 330 OH TYR A 99 -8.986 7.826 6.916 1.00 0.00 O ATOM 0 H TYR A 99 -8.311 4.555 0.759 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.941 4.805 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.358 3.053 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.810 2.923 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.990 4.755 5.368 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.842 4.958 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.649 6.588 6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.501 6.788 5.014 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.901 8.112 6.711 1.00 0.00 H new ATOM 340 N ILE A 100 -5.544 2.122 1.826 1.00 0.00 N ATOM 341 CA ILE A 100 -4.983 1.026 1.022 1.00 0.00 C ATOM 342 C ILE A 100 -5.324 -0.341 1.611 1.00 0.00 C ATOM 343 O ILE A 100 -5.087 -0.589 2.800 1.00 0.00 O ATOM 344 CB ILE A 100 -3.463 1.177 0.971 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.083 2.583 0.451 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.859 0.101 0.067 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.418 2.757 -1.041 1.00 0.00 C ATOM 0 H ILE A 100 -5.335 2.072 2.823 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.416 1.083 0.023 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.064 1.057 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.612 3.339 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.017 2.750 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.776 0.217 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.108 -0.885 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.263 0.203 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.134 3.759 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.869 2.019 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.488 2.617 -1.192 1.00 0.00 H new ATOM 359 N SER A 101 -5.865 -1.221 0.750 1.00 0.00 N ATOM 360 CA SER A 101 -6.238 -2.590 1.127 1.00 0.00 C ATOM 361 C SER A 101 -5.286 -3.585 0.470 1.00 0.00 C ATOM 362 O SER A 101 -4.590 -3.252 -0.486 1.00 0.00 O ATOM 363 CB SER A 101 -7.672 -2.907 0.679 1.00 0.00 C ATOM 364 OG SER A 101 -8.587 -2.312 1.581 1.00 0.00 O ATOM 0 H SER A 101 -6.055 -1.000 -0.227 1.00 0.00 H new ATOM 0 HA SER A 101 -6.176 -2.672 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.842 -2.531 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.825 -3.986 0.647 1.00 0.00 H new ATOM 0 HG SER A 101 -9.503 -2.511 1.296 1.00 0.00 H new ATOM 370 N ALA A 102 -5.269 -4.802 1.003 1.00 0.00 N ATOM 371 CA ALA A 102 -4.400 -5.862 0.491 1.00 0.00 C ATOM 372 C ALA A 102 -4.820 -6.320 -0.903 1.00 0.00 C ATOM 373 O ALA A 102 -3.975 -6.638 -1.739 1.00 0.00 O ATOM 374 CB ALA A 102 -4.415 -7.052 1.475 1.00 0.00 C ATOM 0 H ALA A 102 -5.849 -5.082 1.794 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.389 -5.464 0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.769 -7.844 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.054 -6.723 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.433 -7.430 1.574 1.00 0.00 H new ATOM 380 N ALA A 103 -6.119 -6.375 -1.143 1.00 0.00 N ATOM 381 CA ALA A 103 -6.620 -6.826 -2.433 1.00 0.00 C ATOM 382 C ALA A 103 -6.150 -5.919 -3.566 1.00 0.00 C ATOM 383 O ALA A 103 -5.897 -6.377 -4.684 1.00 0.00 O ATOM 384 CB ALA A 103 -8.145 -6.861 -2.394 1.00 0.00 C ATOM 0 H ALA A 103 -6.841 -6.116 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.227 -7.824 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.526 -7.198 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.473 -7.548 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.527 -5.862 -2.182 1.00 0.00 H new ATOM 390 N GLU A 104 -6.048 -4.630 -3.283 1.00 0.00 N ATOM 391 CA GLU A 104 -5.623 -3.672 -4.292 1.00 0.00 C ATOM 392 C GLU A 104 -4.164 -3.891 -4.678 1.00 0.00 C ATOM 393 O GLU A 104 -3.787 -3.671 -5.827 1.00 0.00 O ATOM 394 CB GLU A 104 -5.794 -2.251 -3.756 1.00 0.00 C ATOM 395 CG GLU A 104 -7.252 -2.041 -3.357 1.00 0.00 C ATOM 396 CD GLU A 104 -7.442 -0.649 -2.760 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.450 0.029 -2.555 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.582 -0.280 -2.523 1.00 0.00 O ATOM 0 H GLU A 104 -6.252 -4.225 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.242 -3.815 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.142 -2.092 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.503 -1.525 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.896 -2.161 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.551 -2.799 -2.633 1.00 0.00 H new ATOM 405 N LEU A 105 -3.338 -4.306 -3.710 1.00 0.00 N ATOM 406 CA LEU A 105 -1.916 -4.520 -3.981 1.00 0.00 C ATOM 407 C LEU A 105 -1.709 -5.648 -4.981 1.00 0.00 C ATOM 408 O LEU A 105 -0.978 -5.495 -5.954 1.00 0.00 O ATOM 409 CB LEU A 105 -1.186 -4.866 -2.688 1.00 0.00 C ATOM 410 CG LEU A 105 -1.525 -3.831 -1.611 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.736 -4.141 -0.336 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.188 -2.415 -2.100 1.00 0.00 C ATOM 0 H LEU A 105 -3.625 -4.497 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.516 -3.598 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.474 -5.862 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.110 -4.886 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.593 -3.880 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.978 -3.404 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.000 -5.136 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.332 -4.104 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.435 -1.693 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.124 -2.352 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.765 -2.193 -2.998 1.00 0.00 H new ATOM 424 N ARG A 106 -2.344 -6.788 -4.743 1.00 0.00 N ATOM 425 CA ARG A 106 -2.187 -7.913 -5.649 1.00 0.00 C ATOM 426 C ARG A 106 -2.720 -7.575 -7.033 1.00 0.00 C ATOM 427 O ARG A 106 -2.072 -7.864 -8.039 1.00 0.00 O ATOM 428 CB ARG A 106 -2.902 -9.150 -5.095 1.00 0.00 C ATOM 429 CG ARG A 106 -4.356 -8.807 -4.755 1.00 0.00 C ATOM 430 CD ARG A 106 -5.043 -10.028 -4.154 1.00 0.00 C ATOM 431 NE ARG A 106 -6.466 -9.761 -3.969 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.286 -10.682 -3.459 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.819 -11.843 -3.070 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.562 -10.423 -3.341 1.00 0.00 N ATOM 0 H ARG A 106 -2.960 -6.955 -3.947 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.122 -8.131 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.872 -9.956 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.387 -9.509 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.389 -7.976 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.884 -8.486 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.908 -10.890 -4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.585 -10.279 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.842 -8.851 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.823 -12.047 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.451 -12.543 -2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.928 -9.519 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.191 -11.125 -2.952 1.00 0.00 H new ATOM 448 N HIS A 107 -3.903 -6.969 -7.093 1.00 0.00 N ATOM 449 CA HIS A 107 -4.502 -6.620 -8.378 1.00 0.00 C ATOM 450 C HIS A 107 -3.701 -5.539 -9.100 1.00 0.00 C ATOM 451 O HIS A 107 -3.359 -5.692 -10.269 1.00 0.00 O ATOM 452 CB HIS A 107 -5.919 -6.104 -8.156 1.00 0.00 C ATOM 453 CG HIS A 107 -6.804 -7.209 -7.649 1.00 0.00 C ATOM 454 ND1 HIS A 107 -7.711 -7.254 -6.619 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -6.852 -8.460 -8.247 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -8.314 -8.506 -6.578 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -7.761 -9.194 -7.579 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.460 -6.712 -6.278 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.508 -7.519 -8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.906 -5.282 -7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.319 -5.708 -9.089 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.267 -8.785 -9.094 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.068 -8.848 -5.885 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -7.998 -10.159 -7.810 1.00 0.00 H new ATOM 466 N VAL A 108 -3.414 -4.437 -8.406 1.00 0.00 N ATOM 467 CA VAL A 108 -2.670 -3.339 -9.027 1.00 0.00 C ATOM 468 C VAL A 108 -1.269 -3.802 -9.434 1.00 0.00 C ATOM 469 O VAL A 108 -0.836 -3.562 -10.557 1.00 0.00 O ATOM 470 CB VAL A 108 -2.598 -2.136 -8.071 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.521 -2.369 -7.013 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.257 -0.871 -8.860 1.00 0.00 C ATOM 0 H VAL A 108 -3.679 -4.281 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.196 -3.026 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.565 -2.018 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.479 -1.511 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.760 -3.266 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.554 -2.497 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.207 -0.021 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.293 -0.999 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.027 -0.691 -9.610 1.00 0.00 H new ATOM 482 N MET A 109 -0.560 -4.457 -8.516 1.00 0.00 N ATOM 483 CA MET A 109 0.786 -4.928 -8.821 1.00 0.00 C ATOM 484 C MET A 109 0.735 -5.888 -10.005 1.00 0.00 C ATOM 485 O MET A 109 1.527 -5.784 -10.944 1.00 0.00 O ATOM 486 CB MET A 109 1.382 -5.626 -7.600 1.00 0.00 C ATOM 487 CG MET A 109 1.584 -4.605 -6.472 1.00 0.00 C ATOM 488 SD MET A 109 3.018 -3.561 -6.854 1.00 0.00 S ATOM 489 CE MET A 109 3.885 -3.725 -5.270 1.00 0.00 C ATOM 0 H MET A 109 -0.888 -4.670 -7.574 1.00 0.00 H new ATOM 0 HA MET A 109 1.417 -4.078 -9.080 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.721 -6.426 -7.267 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.334 -6.088 -7.861 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.692 -3.989 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.737 -5.120 -5.524 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.566 -2.884 -5.139 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.159 -3.734 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.452 -4.656 -5.260 1.00 0.00 H new ATOM 499 N THR A 110 -0.213 -6.813 -9.965 1.00 0.00 N ATOM 500 CA THR A 110 -0.371 -7.769 -11.050 1.00 0.00 C ATOM 501 C THR A 110 -0.720 -7.025 -12.340 1.00 0.00 C ATOM 502 O THR A 110 -0.200 -7.332 -13.412 1.00 0.00 O ATOM 503 CB THR A 110 -1.471 -8.777 -10.706 1.00 0.00 C ATOM 504 OG1 THR A 110 -1.084 -9.515 -9.553 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.677 -9.733 -11.883 1.00 0.00 C ATOM 0 H THR A 110 -0.879 -6.921 -9.200 1.00 0.00 H new ATOM 0 HA THR A 110 0.564 -8.311 -11.192 1.00 0.00 H new ATOM 0 HB THR A 110 -2.403 -8.249 -10.506 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.126 -8.935 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.460 -10.450 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.970 -9.165 -12.766 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.748 -10.266 -12.086 1.00 0.00 H new ATOM 513 N ASN A 111 -1.593 -6.030 -12.209 1.00 0.00 N ATOM 514 CA ASN A 111 -2.007 -5.217 -13.351 1.00 0.00 C ATOM 515 C ASN A 111 -0.822 -4.415 -13.878 1.00 0.00 C ATOM 516 O ASN A 111 -0.670 -4.222 -15.086 1.00 0.00 O ATOM 517 CB ASN A 111 -3.125 -4.263 -12.931 1.00 0.00 C ATOM 518 CG ASN A 111 -3.765 -3.633 -14.164 1.00 0.00 C ATOM 519 OD1 ASN A 111 -3.462 -4.025 -15.292 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.638 -2.673 -14.019 1.00 0.00 N ATOM 0 H ASN A 111 -2.028 -5.767 -11.325 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.372 -5.876 -14.139 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.878 -4.803 -12.356 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.725 -3.485 -12.281 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.069 -2.248 -14.840 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.889 -2.349 -13.085 1.00 0.00 H new ATOM 527 N LEU A 112 0.014 -3.958 -12.952 1.00 0.00 N ATOM 528 CA LEU A 112 1.196 -3.181 -13.299 1.00 0.00 C ATOM 529 C LEU A 112 2.132 -4.021 -14.154 1.00 0.00 C ATOM 530 O LEU A 112 2.793 -3.508 -15.058 1.00 0.00 O ATOM 531 CB LEU A 112 1.919 -2.716 -12.020 1.00 0.00 C ATOM 532 CG LEU A 112 1.256 -1.441 -11.457 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.680 -1.238 -9.986 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.662 -0.206 -12.296 1.00 0.00 C ATOM 0 H LEU A 112 -0.107 -4.114 -11.951 1.00 0.00 H new ATOM 0 HA LEU A 112 0.890 -2.302 -13.866 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.892 -3.508 -11.272 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.969 -2.521 -12.239 1.00 0.00 H new ATOM 0 HG LEU A 112 0.173 -1.557 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.210 -0.337 -9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.366 -2.098 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.764 -1.135 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.186 0.685 -11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.745 -0.086 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.341 -0.346 -13.328 1.00 0.00 H new ATOM 546 N GLY A 113 2.188 -5.317 -13.866 1.00 0.00 N ATOM 547 CA GLY A 113 3.054 -6.224 -14.619 1.00 0.00 C ATOM 548 C GLY A 113 3.801 -7.169 -13.688 1.00 0.00 C ATOM 549 O GLY A 113 4.550 -8.032 -14.145 1.00 0.00 O ATOM 0 H GLY A 113 1.650 -5.763 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.456 -6.801 -15.324 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.769 -5.646 -15.205 1.00 0.00 H new ATOM 553 N GLU A 114 3.596 -7.009 -12.378 1.00 0.00 N ATOM 554 CA GLU A 114 4.259 -7.864 -11.390 1.00 0.00 C ATOM 555 C GLU A 114 3.218 -8.579 -10.529 1.00 0.00 C ATOM 556 O GLU A 114 2.479 -7.944 -9.776 1.00 0.00 O ATOM 557 CB GLU A 114 5.166 -7.009 -10.498 1.00 0.00 C ATOM 558 CG GLU A 114 6.193 -7.904 -9.803 1.00 0.00 C ATOM 559 CD GLU A 114 7.242 -8.360 -10.811 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.207 -7.877 -11.931 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.062 -9.188 -10.451 1.00 0.00 O ATOM 0 H GLU A 114 2.981 -6.300 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 114 4.859 -8.610 -11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.674 -6.253 -11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.569 -6.480 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.670 -7.361 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.697 -8.769 -9.363 1.00 0.00 H new ATOM 568 N LYS A 115 3.165 -9.908 -10.649 1.00 0.00 N ATOM 569 CA LYS A 115 2.208 -10.713 -9.885 1.00 0.00 C ATOM 570 C LYS A 115 2.836 -11.234 -8.590 1.00 0.00 C ATOM 571 O LYS A 115 3.563 -12.229 -8.593 1.00 0.00 O ATOM 572 CB LYS A 115 1.729 -11.894 -10.740 1.00 0.00 C ATOM 573 CG LYS A 115 0.647 -12.673 -9.988 1.00 0.00 C ATOM 574 CD LYS A 115 0.114 -13.801 -10.876 1.00 0.00 C ATOM 575 CE LYS A 115 -0.977 -14.571 -10.129 1.00 0.00 C ATOM 576 NZ LYS A 115 -2.239 -13.779 -10.130 1.00 0.00 N ATOM 0 H LYS A 115 3.772 -10.448 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 115 1.360 -10.080 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.335 -11.531 -11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.568 -12.550 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.056 -13.085 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.166 -12.004 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.287 -13.390 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.925 -14.475 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.143 -15.538 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.660 -14.768 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.012 -14.357 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.116 -12.929 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.471 -13.497 -11.104 1.00 0.00 H new ATOM 590 N LEU A 116 2.531 -10.554 -7.485 1.00 0.00 N ATOM 591 CA LEU A 116 3.041 -10.937 -6.167 1.00 0.00 C ATOM 592 C LEU A 116 2.266 -12.147 -5.638 1.00 0.00 C ATOM 593 O LEU A 116 1.478 -12.756 -6.363 1.00 0.00 O ATOM 594 CB LEU A 116 2.903 -9.756 -5.183 1.00 0.00 C ATOM 595 CG LEU A 116 4.077 -8.785 -5.349 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.182 -8.356 -6.811 1.00 0.00 C ATOM 597 CD2 LEU A 116 3.834 -7.556 -4.472 1.00 0.00 C ATOM 0 H LEU A 116 1.930 -9.730 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 116 4.094 -11.201 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.963 -9.234 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.872 -10.129 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 116 5.005 -9.274 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.017 -7.665 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.346 -9.233 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.258 -7.863 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.665 -6.859 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.908 -7.069 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.756 -7.863 -3.429 1.00 0.00 H new ATOM 609 N THR A 117 2.492 -12.482 -4.365 1.00 0.00 N ATOM 610 CA THR A 117 1.805 -13.611 -3.725 1.00 0.00 C ATOM 611 C THR A 117 0.763 -13.096 -2.734 1.00 0.00 C ATOM 612 O THR A 117 1.061 -12.258 -1.881 1.00 0.00 O ATOM 613 CB THR A 117 2.818 -14.501 -2.994 1.00 0.00 C ATOM 614 OG1 THR A 117 3.675 -13.691 -2.205 1.00 0.00 O ATOM 615 CG2 THR A 117 3.648 -15.278 -4.014 1.00 0.00 C ATOM 0 H THR A 117 3.145 -11.989 -3.756 1.00 0.00 H new ATOM 0 HA THR A 117 1.306 -14.199 -4.496 1.00 0.00 H new ATOM 0 HB THR A 117 2.286 -15.203 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.359 -13.285 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.367 -15.910 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.990 -15.901 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.180 -14.578 -4.659 1.00 0.00 H new ATOM 623 N ASP A 118 -0.468 -13.585 -2.874 1.00 0.00 N ATOM 624 CA ASP A 118 -1.564 -13.152 -2.010 1.00 0.00 C ATOM 625 C ASP A 118 -1.212 -13.409 -0.547 1.00 0.00 C ATOM 626 O ASP A 118 -1.560 -12.624 0.334 1.00 0.00 O ATOM 627 CB ASP A 118 -2.849 -13.921 -2.376 1.00 0.00 C ATOM 628 CG ASP A 118 -3.572 -13.261 -3.550 1.00 0.00 C ATOM 629 OD1 ASP A 118 -3.205 -12.155 -3.910 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.484 -13.879 -4.078 1.00 0.00 O ATOM 0 H ASP A 118 -0.731 -14.278 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.727 -12.084 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.599 -14.951 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.512 -13.959 -1.512 1.00 0.00 H new ATOM 635 N GLU A 119 -0.529 -14.518 -0.293 1.00 0.00 N ATOM 636 CA GLU A 119 -0.146 -14.867 1.067 1.00 0.00 C ATOM 637 C GLU A 119 0.788 -13.804 1.647 1.00 0.00 C ATOM 638 O GLU A 119 0.669 -13.428 2.818 1.00 0.00 O ATOM 639 CB GLU A 119 0.551 -16.231 1.069 1.00 0.00 C ATOM 640 CG GLU A 119 -0.428 -17.292 0.565 1.00 0.00 C ATOM 641 CD GLU A 119 0.245 -18.662 0.530 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.335 -18.781 1.065 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.345 -19.575 -0.026 1.00 0.00 O ATOM 0 H GLU A 119 -0.231 -15.185 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.042 -14.917 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.436 -16.203 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.890 -16.479 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.303 -17.326 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.780 -17.027 -0.432 1.00 0.00 H new ATOM 650 N GLU A 120 1.685 -13.285 0.811 1.00 0.00 N ATOM 651 CA GLU A 120 2.602 -12.237 1.255 1.00 0.00 C ATOM 652 C GLU A 120 1.861 -10.909 1.368 1.00 0.00 C ATOM 653 O GLU A 120 1.961 -10.217 2.378 1.00 0.00 O ATOM 654 CB GLU A 120 3.769 -12.084 0.276 1.00 0.00 C ATOM 655 CG GLU A 120 4.638 -13.344 0.319 1.00 0.00 C ATOM 656 CD GLU A 120 5.769 -13.236 -0.698 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.823 -12.234 -1.391 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.565 -14.159 -0.770 1.00 0.00 O ATOM 0 H GLU A 120 1.796 -13.567 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 120 2.996 -12.522 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.392 -11.923 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.365 -11.209 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.050 -13.477 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.029 -14.222 0.105 1.00 0.00 H new ATOM 665 N VAL A 121 1.102 -10.574 0.327 1.00 0.00 N ATOM 666 CA VAL A 121 0.327 -9.336 0.322 1.00 0.00 C ATOM 667 C VAL A 121 -0.532 -9.271 1.580 1.00 0.00 C ATOM 668 O VAL A 121 -0.325 -8.427 2.450 1.00 0.00 O ATOM 669 CB VAL A 121 -0.572 -9.296 -0.921 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.580 -8.151 -0.816 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.285 -9.092 -2.170 1.00 0.00 C ATOM 0 H VAL A 121 1.007 -11.138 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 121 1.005 -8.483 0.302 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.110 -10.241 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.209 -8.137 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.203 -8.295 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.047 -7.204 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.356 -9.064 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.830 -8.151 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.994 -9.915 -2.263 1.00 0.00 H new ATOM 681 N ASP A 122 -1.495 -10.179 1.666 1.00 0.00 N ATOM 682 CA ASP A 122 -2.386 -10.236 2.816 1.00 0.00 C ATOM 683 C ASP A 122 -1.582 -10.099 4.105 1.00 0.00 C ATOM 684 O ASP A 122 -1.971 -9.358 5.007 1.00 0.00 O ATOM 685 CB ASP A 122 -3.132 -11.573 2.801 1.00 0.00 C ATOM 686 CG ASP A 122 -4.186 -11.618 3.902 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.223 -10.698 4.703 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.940 -12.578 3.930 1.00 0.00 O ATOM 0 H ASP A 122 -1.679 -10.885 0.954 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.103 -9.417 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.607 -11.719 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.424 -12.391 2.935 1.00 0.00 H new ATOM 693 N GLU A 123 -0.449 -10.798 4.185 1.00 0.00 N ATOM 694 CA GLU A 123 0.395 -10.709 5.374 1.00 0.00 C ATOM 695 C GLU A 123 1.107 -9.351 5.443 1.00 0.00 C ATOM 696 O GLU A 123 1.386 -8.838 6.529 1.00 0.00 O ATOM 697 CB GLU A 123 1.431 -11.834 5.371 1.00 0.00 C ATOM 698 CG GLU A 123 2.237 -11.793 6.673 1.00 0.00 C ATOM 699 CD GLU A 123 3.210 -12.965 6.719 1.00 0.00 C ATOM 700 OE1 GLU A 123 3.047 -13.876 5.926 1.00 0.00 O ATOM 701 OE2 GLU A 123 4.102 -12.937 7.552 1.00 0.00 O ATOM 0 H GLU A 123 -0.101 -11.420 3.456 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.246 -10.809 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.935 -12.799 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.097 -11.726 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.784 -10.853 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.564 -11.835 7.529 1.00 0.00 H new ATOM 708 N MET A 124 1.422 -8.788 4.274 1.00 0.00 N ATOM 709 CA MET A 124 2.128 -7.503 4.199 1.00 0.00 C ATOM 710 C MET A 124 1.425 -6.433 5.026 1.00 0.00 C ATOM 711 O MET A 124 1.953 -5.959 6.028 1.00 0.00 O ATOM 712 CB MET A 124 2.184 -7.039 2.741 1.00 0.00 C ATOM 713 CG MET A 124 3.207 -5.910 2.582 1.00 0.00 C ATOM 714 SD MET A 124 4.872 -6.612 2.491 1.00 0.00 S ATOM 715 CE MET A 124 4.916 -6.867 0.698 1.00 0.00 C ATOM 0 H MET A 124 1.201 -9.199 3.367 1.00 0.00 H new ATOM 0 HA MET A 124 3.133 -7.647 4.597 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.452 -7.876 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.200 -6.695 2.424 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.993 -5.336 1.681 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.137 -5.220 3.423 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.875 -7.302 0.416 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.112 -7.542 0.407 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.788 -5.911 0.191 1.00 0.00 H new ATOM 725 N ILE A 125 0.232 -6.046 4.599 1.00 0.00 N ATOM 726 CA ILE A 125 -0.512 -5.013 5.306 1.00 0.00 C ATOM 727 C ILE A 125 -0.719 -5.421 6.763 1.00 0.00 C ATOM 728 O ILE A 125 -0.536 -4.617 7.674 1.00 0.00 O ATOM 729 CB ILE A 125 -1.885 -4.798 4.624 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.694 -3.969 3.340 1.00 0.00 C ATOM 731 CG2 ILE A 125 -2.850 -4.070 5.580 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.036 -3.810 2.613 1.00 0.00 C ATOM 0 H ILE A 125 -0.237 -6.426 3.777 1.00 0.00 H new ATOM 0 HA ILE A 125 0.056 -4.083 5.275 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.313 -5.768 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.287 -2.989 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.972 -4.458 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.811 -3.926 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.990 -4.668 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.432 -3.100 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.891 -3.222 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.426 -4.793 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.745 -3.301 3.266 1.00 0.00 H new ATOM 744 N ARG A 126 -1.113 -6.663 6.971 1.00 0.00 N ATOM 745 CA ARG A 126 -1.371 -7.155 8.318 1.00 0.00 C ATOM 746 C ARG A 126 -0.277 -6.724 9.293 1.00 0.00 C ATOM 747 O ARG A 126 -0.562 -6.389 10.444 1.00 0.00 O ATOM 748 CB ARG A 126 -1.474 -8.683 8.279 1.00 0.00 C ATOM 749 CG ARG A 126 -2.856 -9.117 7.727 1.00 0.00 C ATOM 750 CD ARG A 126 -3.810 -9.424 8.883 1.00 0.00 C ATOM 751 NE ARG A 126 -3.959 -8.258 9.743 1.00 0.00 N ATOM 752 CZ ARG A 126 -4.349 -8.388 11.007 1.00 0.00 C ATOM 753 NH1 ARG A 126 -4.603 -9.577 11.485 1.00 0.00 N ATOM 754 NH2 ARG A 126 -4.467 -7.336 11.771 1.00 0.00 N ATOM 0 H ARG A 126 -1.262 -7.349 6.231 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.309 -6.726 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.681 -9.092 7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.331 -9.089 9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.272 -8.326 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.744 -9.997 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.783 -9.721 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.430 -10.265 9.463 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.761 -7.329 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.502 -10.399 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.903 -9.684 12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.260 -6.409 11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.767 -7.441 12.740 1.00 0.00 H new ATOM 768 N GLU A 127 0.973 -6.731 8.846 1.00 0.00 N ATOM 769 CA GLU A 127 2.074 -6.331 9.717 1.00 0.00 C ATOM 770 C GLU A 127 2.205 -4.810 9.751 1.00 0.00 C ATOM 771 O GLU A 127 2.607 -4.235 10.763 1.00 0.00 O ATOM 772 CB GLU A 127 3.378 -6.968 9.240 1.00 0.00 C ATOM 773 CG GLU A 127 3.280 -8.486 9.401 1.00 0.00 C ATOM 774 CD GLU A 127 4.540 -9.152 8.859 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.446 -8.433 8.469 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.584 -10.371 8.844 1.00 0.00 O ATOM 0 H GLU A 127 1.248 -7.004 7.902 1.00 0.00 H new ATOM 0 HA GLU A 127 1.863 -6.679 10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.563 -6.711 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.218 -6.582 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.148 -8.740 10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.404 -8.860 8.871 1.00 0.00 H new ATOM 783 N ALA A 128 1.858 -4.161 8.637 1.00 0.00 N ATOM 784 CA ALA A 128 1.934 -2.699 8.542 1.00 0.00 C ATOM 785 C ALA A 128 0.570 -2.067 8.818 1.00 0.00 C ATOM 786 O ALA A 128 0.211 -1.056 8.215 1.00 0.00 O ATOM 787 CB ALA A 128 2.413 -2.285 7.145 1.00 0.00 C ATOM 0 H ALA A 128 1.523 -4.621 7.791 1.00 0.00 H new ATOM 0 HA ALA A 128 2.644 -2.347 9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.466 -1.198 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.401 -2.707 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.713 -2.656 6.396 1.00 0.00 H new ATOM 793 N ASP A 129 -0.185 -2.668 9.740 1.00 0.00 N ATOM 794 CA ASP A 129 -1.513 -2.159 10.101 1.00 0.00 C ATOM 795 C ASP A 129 -1.533 -1.749 11.574 1.00 0.00 C ATOM 796 O ASP A 129 -1.360 -2.581 12.465 1.00 0.00 O ATOM 797 CB ASP A 129 -2.568 -3.243 9.839 1.00 0.00 C ATOM 798 CG ASP A 129 -3.914 -2.622 9.472 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.651 -2.275 10.367 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.181 -2.500 8.291 1.00 0.00 O ATOM 0 H ASP A 129 0.098 -3.505 10.250 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.741 -1.284 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.232 -3.894 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.681 -3.867 10.726 1.00 0.00 H new ATOM 805 N ILE A 130 -1.734 -0.460 11.814 1.00 0.00 N ATOM 806 CA ILE A 130 -1.765 0.068 13.183 1.00 0.00 C ATOM 807 C ILE A 130 -3.175 0.009 13.764 1.00 0.00 C ATOM 808 O ILE A 130 -3.356 -0.255 14.954 1.00 0.00 O ATOM 809 CB ILE A 130 -1.285 1.515 13.196 1.00 0.00 C ATOM 810 CG1 ILE A 130 -0.024 1.631 12.349 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.978 1.947 14.634 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.035 0.621 12.800 1.00 0.00 C ATOM 0 H ILE A 130 -1.878 0.241 11.087 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.106 -0.550 13.793 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.063 2.160 12.788 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.269 1.462 11.300 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.377 2.642 12.424 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.635 2.982 14.638 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.880 1.861 15.240 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.200 1.306 15.048 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.925 0.725 12.179 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.296 0.808 13.842 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.639 -0.390 12.701 1.00 0.00 H new ATOM 824 N ASP A 131 -4.169 0.267 12.921 1.00 0.00 N ATOM 825 CA ASP A 131 -5.567 0.247 13.358 1.00 0.00 C ATOM 826 C ASP A 131 -6.140 -1.171 13.322 1.00 0.00 C ATOM 827 O ASP A 131 -7.118 -1.471 14.005 1.00 0.00 O ATOM 828 CB ASP A 131 -6.401 1.156 12.452 1.00 0.00 C ATOM 829 CG ASP A 131 -5.801 2.558 12.436 1.00 0.00 C ATOM 830 OD1 ASP A 131 -5.636 3.122 13.506 1.00 0.00 O ATOM 831 OD2 ASP A 131 -5.515 3.046 11.356 1.00 0.00 O ATOM 0 H ASP A 131 -4.037 0.492 11.935 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.606 0.606 14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.429 0.751 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.430 1.195 12.808 1.00 0.00 H new ATOM 836 N GLY A 132 -5.541 -2.031 12.504 1.00 0.00 N ATOM 837 CA GLY A 132 -6.017 -3.411 12.374 1.00 0.00 C ATOM 838 C GLY A 132 -7.352 -3.448 11.636 1.00 0.00 C ATOM 839 O GLY A 132 -8.253 -4.205 11.998 1.00 0.00 O ATOM 0 H GLY A 132 -4.733 -1.804 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.280 -4.007 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.128 -3.858 13.362 1.00 0.00 H new ATOM 843 N ASP A 133 -7.478 -2.606 10.608 1.00 0.00 N ATOM 844 CA ASP A 133 -8.713 -2.522 9.824 1.00 0.00 C ATOM 845 C ASP A 133 -8.442 -2.742 8.335 1.00 0.00 C ATOM 846 O ASP A 133 -9.069 -2.113 7.483 1.00 0.00 O ATOM 847 CB ASP A 133 -9.345 -1.146 10.032 1.00 0.00 C ATOM 848 CG ASP A 133 -8.365 -0.051 9.619 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.185 -0.350 9.492 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.808 1.072 9.439 1.00 0.00 O ATOM 0 H ASP A 133 -6.741 -1.973 10.299 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.392 -3.305 10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.261 -1.065 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.624 -1.020 11.078 1.00 0.00 H new ATOM 855 N GLY A 134 -7.527 -3.657 8.032 1.00 0.00 N ATOM 856 CA GLY A 134 -7.206 -3.977 6.643 1.00 0.00 C ATOM 857 C GLY A 134 -6.986 -2.718 5.811 1.00 0.00 C ATOM 858 O GLY A 134 -6.976 -2.771 4.580 1.00 0.00 O ATOM 0 H GLY A 134 -6.997 -4.188 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.310 -4.596 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.015 -4.564 6.208 1.00 0.00 H new ATOM 862 N GLN A 135 -6.814 -1.585 6.483 1.00 0.00 N ATOM 863 CA GLN A 135 -6.598 -0.314 5.794 1.00 0.00 C ATOM 864 C GLN A 135 -5.460 0.450 6.452 1.00 0.00 C ATOM 865 O GLN A 135 -5.437 0.620 7.669 1.00 0.00 O ATOM 866 CB GLN A 135 -7.874 0.525 5.840 1.00 0.00 C ATOM 867 CG GLN A 135 -8.943 -0.096 4.937 1.00 0.00 C ATOM 868 CD GLN A 135 -8.618 0.171 3.470 1.00 0.00 C ATOM 869 OE1 GLN A 135 -7.643 0.855 3.158 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.398 -0.311 2.544 1.00 0.00 N ATOM 0 H GLN A 135 -6.820 -1.519 7.501 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.337 -0.517 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.242 0.586 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.661 1.544 5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -8.999 -1.170 5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.921 0.319 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.206 -0.878 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.201 -0.122 1.561 1.00 0.00 H new ATOM 879 N VAL A 136 -4.532 0.935 5.628 1.00 0.00 N ATOM 880 CA VAL A 136 -3.397 1.707 6.135 1.00 0.00 C ATOM 881 C VAL A 136 -3.184 2.960 5.284 1.00 0.00 C ATOM 882 O VAL A 136 -3.333 2.922 4.059 1.00 0.00 O ATOM 883 CB VAL A 136 -2.126 0.834 6.145 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.499 -0.613 6.438 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.394 0.906 4.802 1.00 0.00 C ATOM 0 H VAL A 136 -4.542 0.809 4.616 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.611 2.020 7.157 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.462 1.213 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.598 -1.227 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.986 -0.673 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.180 -0.976 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.502 0.280 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.053 0.552 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.105 1.937 4.600 1.00 0.00 H new ATOM 895 N ASN A 137 -2.840 4.060 5.938 1.00 0.00 N ATOM 896 CA ASN A 137 -2.610 5.310 5.228 1.00 0.00 C ATOM 897 C ASN A 137 -1.308 5.240 4.437 1.00 0.00 C ATOM 898 O ASN A 137 -0.861 4.158 4.055 1.00 0.00 O ATOM 899 CB ASN A 137 -2.553 6.473 6.214 1.00 0.00 C ATOM 900 CG ASN A 137 -1.323 6.342 7.104 1.00 0.00 C ATOM 901 OD1 ASN A 137 -0.574 5.371 6.990 1.00 0.00 O ATOM 902 ND2 ASN A 137 -1.070 7.267 7.986 1.00 0.00 N ATOM 0 H ASN A 137 -2.715 4.113 6.949 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.436 5.470 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.521 7.418 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.455 6.486 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.249 7.189 8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.693 8.069 8.077 1.00 0.00 H new ATOM 909 N TYR A 138 -0.718 6.400 4.177 1.00 0.00 N ATOM 910 CA TYR A 138 0.521 6.464 3.410 1.00 0.00 C ATOM 911 C TYR A 138 1.731 6.019 4.239 1.00 0.00 C ATOM 912 O TYR A 138 2.463 5.121 3.835 1.00 0.00 O ATOM 913 CB TYR A 138 0.734 7.900 2.904 1.00 0.00 C ATOM 914 CG TYR A 138 -0.608 8.534 2.588 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.582 7.816 1.880 1.00 0.00 C ATOM 916 CD2 TYR A 138 -0.879 9.839 3.018 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.826 8.404 1.603 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.121 10.427 2.739 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.095 9.707 2.033 1.00 0.00 C ATOM 920 OH TYR A 138 -4.320 10.284 1.760 1.00 0.00 O ATOM 0 H TYR A 138 -1.075 7.305 4.484 1.00 0.00 H new ATOM 0 HA TYR A 138 0.431 5.779 2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.257 8.488 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.363 7.893 2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.375 6.810 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.131 10.393 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.576 7.850 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.327 11.435 3.068 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.546 10.923 2.468 1.00 0.00 H new ATOM 930 N GLU A 139 1.935 6.652 5.395 1.00 0.00 N ATOM 931 CA GLU A 139 3.075 6.312 6.250 1.00 0.00 C ATOM 932 C GLU A 139 3.057 4.831 6.608 1.00 0.00 C ATOM 933 O GLU A 139 3.929 4.073 6.169 1.00 0.00 O ATOM 934 CB GLU A 139 3.058 7.168 7.510 1.00 0.00 C ATOM 935 CG GLU A 139 3.350 8.613 7.111 1.00 0.00 C ATOM 936 CD GLU A 139 3.281 9.516 8.332 1.00 0.00 C ATOM 937 OE1 GLU A 139 2.380 9.330 9.131 1.00 0.00 O ATOM 938 OE2 GLU A 139 4.129 10.386 8.448 1.00 0.00 O ATOM 0 H GLU A 139 1.335 7.393 5.758 1.00 0.00 H new ATOM 0 HA GLU A 139 3.994 6.516 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.088 7.099 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.804 6.812 8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.338 8.680 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.630 8.944 6.363 1.00 0.00 H new ATOM 945 N GLU A 140 2.073 4.447 7.434 1.00 0.00 N ATOM 946 CA GLU A 140 1.922 3.057 7.879 1.00 0.00 C ATOM 947 C GLU A 140 2.408 2.109 6.782 1.00 0.00 C ATOM 948 O GLU A 140 2.949 1.035 7.052 1.00 0.00 O ATOM 949 CB GLU A 140 0.446 2.754 8.179 1.00 0.00 C ATOM 950 CG GLU A 140 -0.029 3.564 9.386 1.00 0.00 C ATOM 951 CD GLU A 140 -1.498 3.261 9.670 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.031 2.360 9.042 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.069 3.938 10.512 1.00 0.00 O ATOM 0 H GLU A 140 1.369 5.083 7.808 1.00 0.00 H new ATOM 0 HA GLU A 140 2.514 2.914 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.165 2.993 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.319 1.689 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.577 3.321 10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.101 4.629 9.194 1.00 0.00 H new ATOM 960 N PHE A 141 2.237 2.562 5.538 1.00 0.00 N ATOM 961 CA PHE A 141 2.678 1.811 4.370 1.00 0.00 C ATOM 962 C PHE A 141 4.165 2.069 4.094 1.00 0.00 C ATOM 963 O PHE A 141 4.953 1.137 3.990 1.00 0.00 O ATOM 964 CB PHE A 141 1.857 2.233 3.138 1.00 0.00 C ATOM 965 CG PHE A 141 1.777 1.075 2.169 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.932 0.625 1.522 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.551 0.450 1.933 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.857 -0.454 0.636 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.473 -0.623 1.053 1.00 0.00 C ATOM 970 CZ PHE A 141 1.626 -1.081 0.401 1.00 0.00 C ATOM 0 H PHE A 141 1.792 3.453 5.317 1.00 0.00 H new ATOM 0 HA PHE A 141 2.530 0.749 4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.855 2.538 3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.320 3.094 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.879 1.110 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.338 0.801 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.747 -0.804 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.477 -1.104 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.566 -1.916 -0.281 1.00 0.00 H new ATOM 980 N VAL A 142 4.528 3.350 3.954 1.00 0.00 N ATOM 981 CA VAL A 142 5.926 3.727 3.674 1.00 0.00 C ATOM 982 C VAL A 142 6.878 2.829 4.464 1.00 0.00 C ATOM 983 O VAL A 142 7.657 2.071 3.886 1.00 0.00 O ATOM 984 CB VAL A 142 6.165 5.189 4.060 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.667 5.521 4.007 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.408 6.100 3.088 1.00 0.00 C ATOM 0 H VAL A 142 3.884 4.138 4.028 1.00 0.00 H new ATOM 0 HA VAL A 142 6.114 3.602 2.608 1.00 0.00 H new ATOM 0 HB VAL A 142 5.806 5.349 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.819 6.564 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.206 4.878 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.041 5.356 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.576 7.142 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.767 5.928 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.342 5.879 3.138 1.00 0.00 H new ATOM 996 N GLN A 143 6.808 2.934 5.790 1.00 0.00 N ATOM 997 CA GLN A 143 7.666 2.136 6.670 1.00 0.00 C ATOM 998 C GLN A 143 7.727 0.682 6.190 1.00 0.00 C ATOM 999 O GLN A 143 8.598 -0.088 6.600 1.00 0.00 O ATOM 1000 CB GLN A 143 7.121 2.187 8.108 1.00 0.00 C ATOM 1001 CG GLN A 143 8.202 1.738 9.101 1.00 0.00 C ATOM 1002 CD GLN A 143 9.254 2.831 9.261 1.00 0.00 C ATOM 1003 OE1 GLN A 143 8.914 4.002 9.429 1.00 0.00 O ATOM 1004 NE2 GLN A 143 10.521 2.516 9.221 1.00 0.00 N ATOM 0 H GLN A 143 6.169 3.561 6.279 1.00 0.00 H new ATOM 0 HA GLN A 143 8.673 2.551 6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.797 3.200 8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.246 1.543 8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.749 1.514 10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.671 0.820 8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.801 1.545 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.230 3.241 9.329 1.00 0.00 H new ATOM 1013 N MET A 144 6.794 0.321 5.310 1.00 0.00 N ATOM 1014 CA MET A 144 6.732 -1.037 4.757 1.00 0.00 C ATOM 1015 C MET A 144 7.362 -1.092 3.365 1.00 0.00 C ATOM 1016 O MET A 144 8.212 -1.942 3.099 1.00 0.00 O ATOM 1017 CB MET A 144 5.270 -1.515 4.686 1.00 0.00 C ATOM 1018 CG MET A 144 5.222 -3.044 4.697 1.00 0.00 C ATOM 1019 SD MET A 144 5.771 -3.647 6.313 1.00 0.00 S ATOM 1020 CE MET A 144 5.104 -5.313 6.170 1.00 0.00 C ATOM 0 H MET A 144 6.069 0.949 4.963 1.00 0.00 H new ATOM 0 HA MET A 144 7.296 -1.696 5.417 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.707 -1.119 5.531 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.797 -1.134 3.781 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.209 -3.389 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.861 -3.445 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.790 -6.021 6.636 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.137 -5.362 6.670 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.981 -5.567 5.117 1.00 0.00 H new ATOM 1030 N MET A 145 6.923 -0.201 2.475 1.00 0.00 N ATOM 1031 CA MET A 145 7.440 -0.172 1.103 1.00 0.00 C ATOM 1032 C MET A 145 8.933 -0.497 1.069 1.00 0.00 C ATOM 1033 O MET A 145 9.378 -1.311 0.261 1.00 0.00 O ATOM 1034 CB MET A 145 7.217 1.217 0.489 1.00 0.00 C ATOM 1035 CG MET A 145 7.460 1.182 -1.033 1.00 0.00 C ATOM 1036 SD MET A 145 8.071 2.797 -1.589 1.00 0.00 S ATOM 1037 CE MET A 145 6.638 3.777 -1.081 1.00 0.00 C ATOM 0 H MET A 145 6.216 0.506 2.676 1.00 0.00 H new ATOM 0 HA MET A 145 6.903 -0.926 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.200 1.552 0.693 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.889 1.938 0.954 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.183 0.404 -1.278 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.535 0.933 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.723 4.784 -1.489 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.727 3.310 -1.455 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.599 3.828 0.007 1.00 0.00 H new