USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 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 109 MET CE :methyl 180:sc= -0.0868 (180deg=-0.0868) USER MOD Set 1.2: A 124 MET CE :methyl 159:sc= -0.339 (180deg=-2.17) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -1.86 K(o=-3.4,f=-5.9!) USER MOD Set 2.2: A 110 THR OG1 : rot -83:sc= 0.439 USER MOD Set 2.3: A 111 ASN :FLIP amide:sc= -1.96 F(o=-5.8!,f=-3.4) USER MOD Single : A 81 SER OG : rot -30:sc= 0.0358 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 134:sc= -1.33 (180deg=-2.69!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.493 USER MOD Single : A 143 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 144 MET CE :methyl 165:sc= -0.0138 (180deg=-0.531) USER MOD Single : A 145 MET CE :methyl -117:sc= 0 (180deg=-1.71!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -3.57! C(o=-3.6!,f=-14!) USER MOD Single : B 48 SER OG : rot -31:sc= 0.29 USER MOD Single : B 49 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 GLN : amide:sc= -3.8! X(o=-3.8!,f=-4.1) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 6.126 -7.439 -11.961 1.00 0.00 N ATOM 81 CA SER A 81 6.325 -7.369 -10.518 1.00 0.00 C ATOM 82 C SER A 81 5.059 -6.877 -9.832 1.00 0.00 C ATOM 83 O SER A 81 4.961 -6.884 -8.606 1.00 0.00 O ATOM 84 CB SER A 81 7.489 -6.436 -10.185 1.00 0.00 C ATOM 85 OG SER A 81 7.147 -5.108 -10.560 1.00 0.00 O ATOM 0 HA SER A 81 6.559 -8.370 -10.155 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.712 -6.479 -9.119 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.388 -6.755 -10.712 1.00 0.00 H new ATOM 0 HG SER A 81 6.530 -5.132 -11.321 1.00 0.00 H new ATOM 91 N GLU A 82 4.097 -6.440 -10.631 1.00 0.00 N ATOM 92 CA GLU A 82 2.848 -5.935 -10.080 1.00 0.00 C ATOM 93 C GLU A 82 2.243 -6.986 -9.166 1.00 0.00 C ATOM 94 O GLU A 82 1.666 -6.664 -8.127 1.00 0.00 O ATOM 95 CB GLU A 82 1.861 -5.623 -11.209 1.00 0.00 C ATOM 96 CG GLU A 82 2.318 -4.391 -11.984 1.00 0.00 C ATOM 97 CD GLU A 82 1.493 -4.240 -13.257 1.00 0.00 C ATOM 98 OE1 GLU A 82 0.817 -5.189 -13.618 1.00 0.00 O ATOM 99 OE2 GLU A 82 1.547 -3.176 -13.853 1.00 0.00 O ATOM 0 H GLU A 82 4.155 -6.424 -11.649 1.00 0.00 H new ATOM 0 HA GLU A 82 3.050 -5.023 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.785 -6.477 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.867 -5.453 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.211 -3.501 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.375 -4.480 -12.234 1.00 0.00 H new ATOM 106 N GLU A 83 2.395 -8.242 -9.552 1.00 0.00 N ATOM 107 CA GLU A 83 1.877 -9.349 -8.760 1.00 0.00 C ATOM 108 C GLU A 83 2.635 -9.470 -7.435 1.00 0.00 C ATOM 109 O GLU A 83 2.072 -9.886 -6.425 1.00 0.00 O ATOM 110 CB GLU A 83 2.034 -10.649 -9.548 1.00 0.00 C ATOM 111 CG GLU A 83 3.527 -10.979 -9.693 1.00 0.00 C ATOM 112 CD GLU A 83 4.029 -11.760 -8.478 1.00 0.00 C ATOM 113 OE1 GLU A 83 3.241 -12.476 -7.881 1.00 0.00 O ATOM 114 OE2 GLU A 83 5.200 -11.629 -8.162 1.00 0.00 O ATOM 0 H GLU A 83 2.873 -8.522 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 83 0.825 -9.162 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.518 -11.462 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.575 -10.549 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.689 -11.563 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.099 -10.058 -9.801 1.00 0.00 H new ATOM 121 N GLU A 84 3.918 -9.111 -7.445 1.00 0.00 N ATOM 122 CA GLU A 84 4.724 -9.194 -6.227 1.00 0.00 C ATOM 123 C GLU A 84 4.167 -8.251 -5.164 1.00 0.00 C ATOM 124 O GLU A 84 3.976 -8.635 -4.008 1.00 0.00 O ATOM 125 CB GLU A 84 6.179 -8.823 -6.536 1.00 0.00 C ATOM 126 CG GLU A 84 7.043 -9.022 -5.285 1.00 0.00 C ATOM 127 CD GLU A 84 6.893 -7.835 -4.334 1.00 0.00 C ATOM 128 OE1 GLU A 84 6.618 -6.745 -4.810 1.00 0.00 O ATOM 129 OE2 GLU A 84 7.055 -8.035 -3.142 1.00 0.00 O ATOM 0 H GLU A 84 4.415 -8.766 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 84 4.687 -10.216 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.556 -9.440 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.237 -7.786 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.751 -9.941 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.088 -9.135 -5.572 1.00 0.00 H new ATOM 136 N ILE A 85 3.888 -7.022 -5.577 1.00 0.00 N ATOM 137 CA ILE A 85 3.327 -6.025 -4.678 1.00 0.00 C ATOM 138 C ILE A 85 1.914 -6.431 -4.284 1.00 0.00 C ATOM 139 O ILE A 85 1.472 -6.197 -3.161 1.00 0.00 O ATOM 140 CB ILE A 85 3.297 -4.648 -5.345 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.727 -4.139 -5.582 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.557 -3.675 -4.426 1.00 0.00 C ATOM 143 CD1 ILE A 85 5.255 -3.426 -4.331 1.00 0.00 C ATOM 0 H ILE A 85 4.042 -6.692 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 85 3.956 -5.967 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 85 2.789 -4.722 -6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.380 -4.974 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.740 -3.455 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.528 -2.688 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.539 -4.030 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.076 -3.612 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.269 -3.071 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.611 -2.578 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.261 -4.121 -3.491 1.00 0.00 H new ATOM 155 N ARG A 86 1.213 -7.040 -5.232 1.00 0.00 N ATOM 156 CA ARG A 86 -0.155 -7.489 -5.016 1.00 0.00 C ATOM 157 C ARG A 86 -0.212 -8.463 -3.844 1.00 0.00 C ATOM 158 O ARG A 86 -1.149 -8.436 -3.047 1.00 0.00 O ATOM 159 CB ARG A 86 -0.646 -8.182 -6.288 1.00 0.00 C ATOM 160 CG ARG A 86 -2.132 -8.506 -6.189 1.00 0.00 C ATOM 161 CD ARG A 86 -2.513 -9.405 -7.364 1.00 0.00 C ATOM 162 NE ARG A 86 -1.919 -10.727 -7.195 1.00 0.00 N ATOM 163 CZ ARG A 86 -1.954 -11.627 -8.173 1.00 0.00 C ATOM 164 NH1 ARG A 86 -2.541 -11.341 -9.301 1.00 0.00 N ATOM 165 NH2 ARG A 86 -1.403 -12.798 -8.000 1.00 0.00 N ATOM 0 H ARG A 86 1.574 -7.235 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.790 -6.633 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.466 -7.540 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.079 -9.099 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.348 -9.005 -5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.721 -7.589 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.598 -9.491 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.171 -8.960 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.469 -10.965 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.973 -10.427 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.568 -12.031 -10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.947 -13.021 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.429 -13.490 -8.749 1.00 0.00 H new ATOM 179 N GLU A 87 0.799 -9.320 -3.746 1.00 0.00 N ATOM 180 CA GLU A 87 0.855 -10.298 -2.666 1.00 0.00 C ATOM 181 C GLU A 87 0.846 -9.584 -1.321 1.00 0.00 C ATOM 182 O GLU A 87 0.160 -10.002 -0.388 1.00 0.00 O ATOM 183 CB GLU A 87 2.123 -11.146 -2.799 1.00 0.00 C ATOM 184 CG GLU A 87 2.154 -12.209 -1.697 1.00 0.00 C ATOM 185 CD GLU A 87 3.379 -13.100 -1.868 1.00 0.00 C ATOM 186 OE1 GLU A 87 4.125 -12.874 -2.806 1.00 0.00 O ATOM 187 OE2 GLU A 87 3.551 -13.998 -1.061 1.00 0.00 O ATOM 0 H GLU A 87 1.585 -9.357 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.017 -10.949 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.151 -11.623 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.006 -10.510 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.176 -11.730 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.247 -12.812 -1.736 1.00 0.00 H new ATOM 194 N ALA A 88 1.599 -8.495 -1.234 1.00 0.00 N ATOM 195 CA ALA A 88 1.657 -7.718 -0.004 1.00 0.00 C ATOM 196 C ALA A 88 0.279 -7.170 0.347 1.00 0.00 C ATOM 197 O ALA A 88 -0.110 -7.155 1.515 1.00 0.00 O ATOM 198 CB ALA A 88 2.652 -6.566 -0.156 1.00 0.00 C ATOM 0 H ALA A 88 2.174 -8.132 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 88 1.989 -8.372 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.688 -5.991 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.642 -6.967 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.336 -5.918 -0.973 1.00 0.00 H new ATOM 204 N PHE A 89 -0.477 -6.754 -0.668 1.00 0.00 N ATOM 205 CA PHE A 89 -1.825 -6.252 -0.428 1.00 0.00 C ATOM 206 C PHE A 89 -2.751 -7.409 -0.062 1.00 0.00 C ATOM 207 O PHE A 89 -3.583 -7.293 0.839 1.00 0.00 O ATOM 208 CB PHE A 89 -2.346 -5.510 -1.663 1.00 0.00 C ATOM 209 CG PHE A 89 -1.790 -4.105 -1.660 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.397 -3.119 -0.874 1.00 0.00 C ATOM 211 CD2 PHE A 89 -0.669 -3.791 -2.435 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.884 -1.818 -0.864 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.154 -2.487 -2.426 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.762 -1.501 -1.639 1.00 0.00 C ATOM 0 H PHE A 89 -0.185 -6.754 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.800 -5.548 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.046 -6.032 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.436 -5.484 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.262 -3.363 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.200 -4.553 -3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.354 -1.057 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.711 -2.243 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.365 -0.496 -1.630 1.00 0.00 H new ATOM 224 N ARG A 90 -2.610 -8.515 -0.786 1.00 0.00 N ATOM 225 CA ARG A 90 -3.457 -9.680 -0.547 1.00 0.00 C ATOM 226 C ARG A 90 -3.553 -9.976 0.944 1.00 0.00 C ATOM 227 O ARG A 90 -4.539 -10.552 1.406 1.00 0.00 O ATOM 228 CB ARG A 90 -2.922 -10.912 -1.287 1.00 0.00 C ATOM 229 CG ARG A 90 -3.349 -10.855 -2.757 1.00 0.00 C ATOM 230 CD ARG A 90 -2.898 -12.131 -3.474 1.00 0.00 C ATOM 231 NE ARG A 90 -3.394 -12.140 -4.846 1.00 0.00 N ATOM 232 CZ ARG A 90 -3.210 -13.195 -5.634 1.00 0.00 C ATOM 233 NH1 ARG A 90 -2.559 -14.236 -5.191 1.00 0.00 N ATOM 234 NH2 ARG A 90 -3.678 -13.190 -6.852 1.00 0.00 N ATOM 0 H ARG A 90 -1.926 -8.630 -1.534 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.452 -9.450 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.835 -10.948 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.303 -11.821 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.432 -10.750 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.912 -9.981 -3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.810 -12.192 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.267 -13.007 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.890 -11.324 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.191 -14.241 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.418 -15.045 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.185 -12.376 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.537 -14.000 -7.456 1.00 0.00 H new ATOM 248 N VAL A 91 -2.542 -9.565 1.697 1.00 0.00 N ATOM 249 CA VAL A 91 -2.547 -9.779 3.138 1.00 0.00 C ATOM 250 C VAL A 91 -3.722 -9.046 3.784 1.00 0.00 C ATOM 251 O VAL A 91 -4.359 -9.569 4.698 1.00 0.00 O ATOM 252 CB VAL A 91 -1.230 -9.294 3.751 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.347 -9.297 5.280 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.101 -10.237 3.331 1.00 0.00 C ATOM 0 H VAL A 91 -1.716 -9.086 1.339 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.654 -10.847 3.326 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.016 -8.284 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.410 -8.952 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.156 -8.633 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.558 -10.309 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.839 -9.896 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.319 -11.245 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.017 -10.243 2.244 1.00 0.00 H new ATOM 264 N PHE A 92 -4.007 -7.837 3.306 1.00 0.00 N ATOM 265 CA PHE A 92 -5.113 -7.058 3.856 1.00 0.00 C ATOM 266 C PHE A 92 -6.435 -7.480 3.214 1.00 0.00 C ATOM 267 O PHE A 92 -7.498 -7.339 3.816 1.00 0.00 O ATOM 268 CB PHE A 92 -4.877 -5.564 3.616 1.00 0.00 C ATOM 269 CG PHE A 92 -3.479 -5.194 4.063 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.085 -5.402 5.390 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.574 -4.647 3.147 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.790 -5.071 5.798 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.280 -4.312 3.557 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.886 -4.526 4.880 1.00 0.00 C ATOM 0 H PHE A 92 -3.496 -7.381 2.550 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.166 -7.245 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.006 -5.330 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.613 -4.976 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.783 -5.819 6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.875 -4.483 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.487 -5.236 6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.584 -3.887 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.115 -4.271 5.194 1.00 0.00 H new ATOM 284 N ASP A 93 -6.356 -8.022 2.000 1.00 0.00 N ATOM 285 CA ASP A 93 -7.553 -8.487 1.302 1.00 0.00 C ATOM 286 C ASP A 93 -7.773 -9.965 1.613 1.00 0.00 C ATOM 287 O ASP A 93 -7.392 -10.830 0.825 1.00 0.00 O ATOM 288 CB ASP A 93 -7.399 -8.308 -0.208 1.00 0.00 C ATOM 289 CG ASP A 93 -8.724 -8.602 -0.902 1.00 0.00 C ATOM 290 OD1 ASP A 93 -9.616 -9.110 -0.243 1.00 0.00 O ATOM 291 OD2 ASP A 93 -8.826 -8.317 -2.084 1.00 0.00 O ATOM 0 H ASP A 93 -5.486 -8.149 1.484 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.407 -7.900 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.079 -7.290 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.625 -8.976 -0.585 1.00 0.00 H new ATOM 296 N LYS A 94 -8.369 -10.259 2.765 1.00 0.00 N ATOM 297 CA LYS A 94 -8.610 -11.642 3.168 1.00 0.00 C ATOM 298 C LYS A 94 -9.682 -12.314 2.325 1.00 0.00 C ATOM 299 O LYS A 94 -9.769 -13.541 2.278 1.00 0.00 O ATOM 300 CB LYS A 94 -9.040 -11.669 4.633 1.00 0.00 C ATOM 301 CG LYS A 94 -10.389 -10.961 4.802 1.00 0.00 C ATOM 302 CD LYS A 94 -10.787 -10.966 6.280 1.00 0.00 C ATOM 303 CE LYS A 94 -12.141 -10.273 6.442 1.00 0.00 C ATOM 304 NZ LYS A 94 -12.539 -10.284 7.878 1.00 0.00 N ATOM 0 H LYS A 94 -8.693 -9.561 3.434 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.681 -12.193 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.116 -12.700 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.285 -11.181 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.322 -9.936 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.152 -11.463 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.843 -11.990 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.030 -10.454 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.082 -9.247 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.895 -10.781 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.460 -9.813 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.612 -11.267 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.824 -9.780 8.440 1.00 0.00 H new ATOM 318 N ASP A 95 -10.495 -11.511 1.665 1.00 0.00 N ATOM 319 CA ASP A 95 -11.562 -12.049 0.830 1.00 0.00 C ATOM 320 C ASP A 95 -11.091 -12.211 -0.610 1.00 0.00 C ATOM 321 O ASP A 95 -11.670 -12.980 -1.377 1.00 0.00 O ATOM 322 CB ASP A 95 -12.776 -11.119 0.868 1.00 0.00 C ATOM 323 CG ASP A 95 -13.426 -11.166 2.247 1.00 0.00 C ATOM 324 OD1 ASP A 95 -13.111 -12.073 2.999 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.230 -10.292 2.531 1.00 0.00 O ATOM 0 H ASP A 95 -10.442 -10.493 1.687 1.00 0.00 H new ATOM 0 HA ASP A 95 -11.840 -13.028 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.470 -10.099 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.497 -11.417 0.107 1.00 0.00 H new ATOM 330 N GLY A 96 -10.053 -11.470 -0.976 1.00 0.00 N ATOM 331 CA GLY A 96 -9.540 -11.539 -2.338 1.00 0.00 C ATOM 332 C GLY A 96 -10.553 -10.938 -3.303 1.00 0.00 C ATOM 333 O GLY A 96 -10.720 -11.413 -4.427 1.00 0.00 O ATOM 0 H GLY A 96 -9.557 -10.825 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.594 -11.001 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.338 -12.576 -2.608 1.00 0.00 H new ATOM 337 N ASN A 97 -11.230 -9.888 -2.847 1.00 0.00 N ATOM 338 CA ASN A 97 -12.233 -9.219 -3.665 1.00 0.00 C ATOM 339 C ASN A 97 -11.606 -8.072 -4.454 1.00 0.00 C ATOM 340 O ASN A 97 -12.274 -7.425 -5.259 1.00 0.00 O ATOM 341 CB ASN A 97 -13.353 -8.678 -2.774 1.00 0.00 C ATOM 342 CG ASN A 97 -14.608 -8.433 -3.602 1.00 0.00 C ATOM 343 OD1 ASN A 97 -14.888 -9.177 -4.543 1.00 0.00 O ATOM 344 ND2 ASN A 97 -15.387 -7.428 -3.308 1.00 0.00 N ATOM 0 H ASN A 97 -11.102 -9.484 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.645 -9.943 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.568 -9.388 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.034 -7.750 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.229 -7.258 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.154 -6.813 -2.528 1.00 0.00 H new ATOM 351 N GLY A 98 -10.316 -7.835 -4.226 1.00 0.00 N ATOM 352 CA GLY A 98 -9.608 -6.768 -4.927 1.00 0.00 C ATOM 353 C GLY A 98 -9.603 -5.466 -4.126 1.00 0.00 C ATOM 354 O GLY A 98 -9.164 -4.430 -4.625 1.00 0.00 O ATOM 0 H GLY A 98 -9.744 -8.363 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.581 -7.079 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.077 -6.597 -5.896 1.00 0.00 H new ATOM 358 N TYR A 99 -10.093 -5.521 -2.889 1.00 0.00 N ATOM 359 CA TYR A 99 -10.132 -4.324 -2.048 1.00 0.00 C ATOM 360 C TYR A 99 -9.692 -4.632 -0.621 1.00 0.00 C ATOM 361 O TYR A 99 -9.737 -5.780 -0.177 1.00 0.00 O ATOM 362 CB TYR A 99 -11.541 -3.740 -2.012 1.00 0.00 C ATOM 363 CG TYR A 99 -12.045 -3.505 -3.414 1.00 0.00 C ATOM 364 CD1 TYR A 99 -12.414 -4.594 -4.207 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.168 -2.201 -3.909 1.00 0.00 C ATOM 366 CE1 TYR A 99 -12.900 -4.385 -5.502 1.00 0.00 C ATOM 367 CE2 TYR A 99 -12.656 -1.991 -5.206 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.020 -3.083 -6.003 1.00 0.00 C ATOM 369 OH TYR A 99 -13.499 -2.876 -7.280 1.00 0.00 O ATOM 0 H TYR A 99 -10.463 -6.365 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.442 -3.602 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.211 -4.421 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.539 -2.802 -1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.324 -5.598 -3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -11.888 -1.359 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.183 -5.228 -6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.751 -0.986 -5.591 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.520 -1.915 -7.470 1.00 0.00 H new ATOM 379 N ILE A 100 -9.292 -3.587 0.099 1.00 0.00 N ATOM 380 CA ILE A 100 -8.870 -3.729 1.489 1.00 0.00 C ATOM 381 C ILE A 100 -9.589 -2.672 2.322 1.00 0.00 C ATOM 382 O ILE A 100 -9.852 -1.575 1.830 1.00 0.00 O ATOM 383 CB ILE A 100 -7.346 -3.546 1.594 1.00 0.00 C ATOM 384 CG1 ILE A 100 -6.987 -2.059 1.649 1.00 0.00 C ATOM 385 CG2 ILE A 100 -6.689 -4.133 0.352 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.474 -1.898 1.485 1.00 0.00 C ATOM 0 H ILE A 100 -9.251 -2.632 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.122 -4.723 1.859 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.000 -4.045 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.510 -1.517 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.309 -1.630 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.608 -4.007 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.927 -5.194 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.060 -3.618 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.214 -0.840 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.963 -2.427 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.166 -2.312 0.525 1.00 0.00 H new ATOM 398 N SER A 101 -9.921 -2.987 3.567 1.00 0.00 N ATOM 399 CA SER A 101 -10.620 -2.018 4.405 1.00 0.00 C ATOM 400 C SER A 101 -9.731 -0.811 4.692 1.00 0.00 C ATOM 401 O SER A 101 -8.837 -0.873 5.534 1.00 0.00 O ATOM 402 CB SER A 101 -11.033 -2.670 5.725 1.00 0.00 C ATOM 403 OG SER A 101 -11.963 -3.713 5.462 1.00 0.00 O ATOM 0 H SER A 101 -9.724 -3.883 4.012 1.00 0.00 H new ATOM 0 HA SER A 101 -11.508 -1.682 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.157 -3.068 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.479 -1.928 6.387 1.00 0.00 H new ATOM 0 HG SER A 101 -12.229 -4.135 6.306 1.00 0.00 H new ATOM 409 N ALA A 102 -9.961 0.273 3.960 1.00 0.00 N ATOM 410 CA ALA A 102 -9.161 1.487 4.098 1.00 0.00 C ATOM 411 C ALA A 102 -8.833 1.813 5.552 1.00 0.00 C ATOM 412 O ALA A 102 -7.789 2.402 5.832 1.00 0.00 O ATOM 413 CB ALA A 102 -9.930 2.665 3.503 1.00 0.00 C ATOM 0 H ALA A 102 -10.700 0.337 3.260 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.222 1.315 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.337 3.574 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.127 2.475 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.875 2.787 4.033 1.00 0.00 H new ATOM 419 N ALA A 103 -9.713 1.453 6.472 1.00 0.00 N ATOM 420 CA ALA A 103 -9.474 1.745 7.879 1.00 0.00 C ATOM 421 C ALA A 103 -8.206 1.059 8.380 1.00 0.00 C ATOM 422 O ALA A 103 -7.454 1.635 9.165 1.00 0.00 O ATOM 423 CB ALA A 103 -10.670 1.291 8.716 1.00 0.00 C ATOM 0 H ALA A 103 -10.587 0.965 6.276 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.342 2.822 7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.484 1.513 9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.565 1.818 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.815 0.218 8.592 1.00 0.00 H new ATOM 429 N GLU A 104 -7.976 -0.175 7.940 1.00 0.00 N ATOM 430 CA GLU A 104 -6.796 -0.913 8.376 1.00 0.00 C ATOM 431 C GLU A 104 -5.539 -0.370 7.708 1.00 0.00 C ATOM 432 O GLU A 104 -4.452 -0.416 8.284 1.00 0.00 O ATOM 433 CB GLU A 104 -6.956 -2.400 8.048 1.00 0.00 C ATOM 434 CG GLU A 104 -6.458 -2.689 6.629 1.00 0.00 C ATOM 435 CD GLU A 104 -6.985 -4.042 6.165 1.00 0.00 C ATOM 436 OE1 GLU A 104 -6.725 -5.021 6.845 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.637 -4.080 5.136 1.00 0.00 O ATOM 0 H GLU A 104 -8.581 -0.678 7.292 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.696 -0.790 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.397 -3.000 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.003 -2.689 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.792 -1.905 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.368 -2.686 6.608 1.00 0.00 H new ATOM 444 N LEU A 105 -5.690 0.143 6.492 1.00 0.00 N ATOM 445 CA LEU A 105 -4.544 0.687 5.770 1.00 0.00 C ATOM 446 C LEU A 105 -3.928 1.832 6.561 1.00 0.00 C ATOM 447 O LEU A 105 -2.713 1.878 6.759 1.00 0.00 O ATOM 448 CB LEU A 105 -4.975 1.186 4.385 1.00 0.00 C ATOM 449 CG LEU A 105 -3.791 1.873 3.692 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.718 1.420 2.231 1.00 0.00 C ATOM 451 CD2 LEU A 105 -3.983 3.391 3.741 1.00 0.00 C ATOM 0 H LEU A 105 -6.578 0.194 5.992 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.803 -0.103 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.328 0.351 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.807 1.884 4.482 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.867 1.603 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.877 1.909 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.583 0.339 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.642 1.689 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.142 3.880 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.908 3.657 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.036 3.718 4.780 1.00 0.00 H new ATOM 463 N ARG A 106 -4.768 2.761 7.001 1.00 0.00 N ATOM 464 CA ARG A 106 -4.276 3.904 7.755 1.00 0.00 C ATOM 465 C ARG A 106 -3.523 3.427 8.992 1.00 0.00 C ATOM 466 O ARG A 106 -2.394 3.850 9.236 1.00 0.00 O ATOM 467 CB ARG A 106 -5.454 4.790 8.171 1.00 0.00 C ATOM 468 CG ARG A 106 -4.942 5.966 9.006 1.00 0.00 C ATOM 469 CD ARG A 106 -5.218 5.706 10.488 1.00 0.00 C ATOM 470 NE ARG A 106 -6.649 5.786 10.754 1.00 0.00 N ATOM 471 CZ ARG A 106 -7.149 5.441 11.936 1.00 0.00 C ATOM 472 NH1 ARG A 106 -6.355 5.023 12.883 1.00 0.00 N ATOM 473 NH2 ARG A 106 -8.433 5.523 12.148 1.00 0.00 N ATOM 0 H ARG A 106 -5.777 2.746 6.851 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.596 4.481 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.975 5.158 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.174 4.208 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.873 6.101 8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.431 6.888 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.843 4.722 10.768 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.686 6.436 11.098 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.278 6.112 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.351 4.961 12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.739 4.758 13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.052 5.852 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.818 5.259 13.055 1.00 0.00 H new ATOM 487 N HIS A 107 -4.139 2.536 9.766 1.00 0.00 N ATOM 488 CA HIS A 107 -3.504 2.002 10.967 1.00 0.00 C ATOM 489 C HIS A 107 -2.208 1.281 10.620 1.00 0.00 C ATOM 490 O HIS A 107 -1.175 1.482 11.258 1.00 0.00 O ATOM 491 CB HIS A 107 -4.476 1.030 11.647 1.00 0.00 C ATOM 492 CG HIS A 107 -3.784 0.293 12.760 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.399 0.916 13.936 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.419 -1.027 12.896 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.829 -0.017 14.722 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.816 -1.219 14.137 1.00 0.00 N ATOM 0 H HIS A 107 -5.073 2.170 9.583 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.262 2.824 11.640 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.332 1.578 12.041 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.861 0.319 10.916 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.524 1.902 14.165 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.576 -1.796 12.154 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.431 0.182 15.706 1.00 0.00 H new ATOM 505 N VAL A 108 -2.285 0.436 9.607 1.00 0.00 N ATOM 506 CA VAL A 108 -1.137 -0.338 9.151 1.00 0.00 C ATOM 507 C VAL A 108 -0.013 0.570 8.653 1.00 0.00 C ATOM 508 O VAL A 108 1.166 0.297 8.878 1.00 0.00 O ATOM 509 CB VAL A 108 -1.583 -1.276 8.028 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.369 -1.946 7.386 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.503 -2.350 8.607 1.00 0.00 C ATOM 0 H VAL A 108 -3.140 0.265 9.077 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.750 -0.914 9.992 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.112 -0.698 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.700 -2.611 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.291 -1.184 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.169 -2.522 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.824 -3.022 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.966 -2.918 9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.376 -1.877 9.057 1.00 0.00 H new ATOM 521 N MET A 109 -0.387 1.639 7.963 1.00 0.00 N ATOM 522 CA MET A 109 0.600 2.571 7.422 1.00 0.00 C ATOM 523 C MET A 109 1.220 3.434 8.515 1.00 0.00 C ATOM 524 O MET A 109 2.336 3.928 8.359 1.00 0.00 O ATOM 525 CB MET A 109 -0.049 3.477 6.372 1.00 0.00 C ATOM 526 CG MET A 109 0.113 2.859 4.982 1.00 0.00 C ATOM 527 SD MET A 109 -0.242 1.084 5.053 1.00 0.00 S ATOM 528 CE MET A 109 -0.038 0.738 3.289 1.00 0.00 C ATOM 0 H MET A 109 -1.357 1.883 7.764 1.00 0.00 H new ATOM 0 HA MET A 109 1.391 1.977 6.964 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.107 3.612 6.599 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.411 4.465 6.397 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.561 3.346 4.277 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.127 3.022 4.618 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.215 -0.321 3.103 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.752 1.331 2.717 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.976 0.996 2.983 1.00 0.00 H new ATOM 538 N THR A 110 0.488 3.647 9.603 1.00 0.00 N ATOM 539 CA THR A 110 0.988 4.496 10.681 1.00 0.00 C ATOM 540 C THR A 110 1.573 3.686 11.844 1.00 0.00 C ATOM 541 O THR A 110 2.214 4.258 12.726 1.00 0.00 O ATOM 542 CB THR A 110 -0.146 5.385 11.202 1.00 0.00 C ATOM 543 OG1 THR A 110 -1.139 4.571 11.810 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.770 6.164 10.044 1.00 0.00 C ATOM 0 H THR A 110 -0.439 3.252 9.762 1.00 0.00 H new ATOM 0 HA THR A 110 1.793 5.104 10.267 1.00 0.00 H new ATOM 0 HB THR A 110 0.255 6.088 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.740 4.218 11.121 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.575 6.794 10.421 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.010 6.789 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.170 5.465 9.309 1.00 0.00 H new ATOM 552 N ASN A 111 1.343 2.368 11.860 1.00 0.00 N ATOM 553 CA ASN A 111 1.854 1.529 12.954 1.00 0.00 C ATOM 554 C ASN A 111 2.843 0.460 12.478 1.00 0.00 C ATOM 555 O ASN A 111 3.699 0.025 13.249 1.00 0.00 O ATOM 556 CB ASN A 111 0.686 0.846 13.666 1.00 0.00 C ATOM 557 CG ASN A 111 -0.119 1.877 14.450 1.00 0.00 C ATOM 558 OD1 ASN A 111 -1.258 2.299 13.975 1.00 0.00 O flip ATOM 559 ND2 ASN A 111 0.302 2.311 15.523 1.00 0.00 N flip ATOM 0 H ASN A 111 0.818 1.866 11.144 1.00 0.00 H new ATOM 0 HA ASN A 111 2.391 2.191 13.633 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.045 0.349 12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.060 0.075 14.340 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.193 1.980 15.893 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.240 3.002 16.042 1.00 0.00 H new ATOM 566 N LEU A 112 2.721 0.030 11.224 1.00 0.00 N ATOM 567 CA LEU A 112 3.614 -1.004 10.689 1.00 0.00 C ATOM 568 C LEU A 112 4.517 -0.452 9.590 1.00 0.00 C ATOM 569 O LEU A 112 4.451 0.726 9.239 1.00 0.00 O ATOM 570 CB LEU A 112 2.801 -2.165 10.108 1.00 0.00 C ATOM 571 CG LEU A 112 1.905 -2.791 11.181 1.00 0.00 C ATOM 572 CD1 LEU A 112 1.068 -3.907 10.548 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.765 -3.384 12.302 1.00 0.00 C ATOM 0 H LEU A 112 2.023 0.374 10.564 1.00 0.00 H new ATOM 0 HA LEU A 112 4.231 -1.352 11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.189 -1.808 9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.475 -2.921 9.704 1.00 0.00 H new ATOM 0 HG LEU A 112 1.253 -2.023 11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.428 -4.357 11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.450 -3.492 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.730 -4.668 10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.119 -3.827 13.060 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.421 -4.151 11.890 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.368 -2.596 12.754 1.00 0.00 H new ATOM 585 N GLY A 113 5.350 -1.334 9.043 1.00 0.00 N ATOM 586 CA GLY A 113 6.260 -0.965 7.966 1.00 0.00 C ATOM 587 C GLY A 113 7.265 0.100 8.392 1.00 0.00 C ATOM 588 O GLY A 113 8.016 -0.079 9.350 1.00 0.00 O ATOM 0 H GLY A 113 5.412 -2.311 9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.796 -1.852 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.684 -0.598 7.117 1.00 0.00 H new ATOM 592 N GLU A 114 7.272 1.205 7.656 1.00 0.00 N ATOM 593 CA GLU A 114 8.189 2.302 7.942 1.00 0.00 C ATOM 594 C GLU A 114 7.487 3.414 8.704 1.00 0.00 C ATOM 595 O GLU A 114 7.989 4.533 8.792 1.00 0.00 O ATOM 596 CB GLU A 114 8.777 2.851 6.642 1.00 0.00 C ATOM 597 CG GLU A 114 9.535 1.736 5.920 1.00 0.00 C ATOM 598 CD GLU A 114 10.776 1.349 6.717 1.00 0.00 C ATOM 599 OE1 GLU A 114 11.186 2.133 7.555 1.00 0.00 O ATOM 600 OE2 GLU A 114 11.298 0.272 6.476 1.00 0.00 O ATOM 0 H GLU A 114 6.655 1.365 6.859 1.00 0.00 H new ATOM 0 HA GLU A 114 8.996 1.915 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.982 3.238 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.448 3.683 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.888 0.868 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.822 2.067 4.922 1.00 0.00 H new ATOM 607 N LYS A 115 6.327 3.089 9.251 1.00 0.00 N ATOM 608 CA LYS A 115 5.549 4.054 10.009 1.00 0.00 C ATOM 609 C LYS A 115 5.455 5.387 9.275 1.00 0.00 C ATOM 610 O LYS A 115 6.397 6.180 9.271 1.00 0.00 O ATOM 611 CB LYS A 115 6.187 4.246 11.374 1.00 0.00 C ATOM 612 CG LYS A 115 5.673 3.175 12.339 1.00 0.00 C ATOM 613 CD LYS A 115 6.368 3.335 13.693 1.00 0.00 C ATOM 614 CE LYS A 115 5.691 2.429 14.723 1.00 0.00 C ATOM 615 NZ LYS A 115 4.317 2.936 15.003 1.00 0.00 N ATOM 0 H LYS A 115 5.903 2.164 9.184 1.00 0.00 H new ATOM 0 HA LYS A 115 4.535 3.672 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.272 4.184 11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.953 5.239 11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.593 3.266 12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.866 2.182 11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.424 3.078 13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.319 4.374 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.644 1.406 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.276 2.405 15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 3.645 2.143 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.298 3.389 15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.049 3.630 14.277 1.00 0.00 H new ATOM 629 N LEU A 116 4.298 5.632 8.673 1.00 0.00 N ATOM 630 CA LEU A 116 4.073 6.877 7.953 1.00 0.00 C ATOM 631 C LEU A 116 3.458 7.904 8.892 1.00 0.00 C ATOM 632 O LEU A 116 2.799 7.545 9.868 1.00 0.00 O ATOM 633 CB LEU A 116 3.113 6.665 6.774 1.00 0.00 C ATOM 634 CG LEU A 116 3.831 6.042 5.568 1.00 0.00 C ATOM 635 CD1 LEU A 116 4.911 6.987 5.041 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.477 4.721 5.980 1.00 0.00 C ATOM 0 H LEU A 116 3.506 4.989 8.669 1.00 0.00 H new ATOM 0 HA LEU A 116 5.034 7.227 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.292 6.018 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.675 7.620 6.484 1.00 0.00 H new ATOM 0 HG LEU A 116 3.098 5.866 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.410 6.529 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.453 7.927 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.641 7.179 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.986 4.282 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.199 4.902 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.708 4.035 6.336 1.00 0.00 H new ATOM 648 N THR A 117 3.647 9.181 8.585 1.00 0.00 N ATOM 649 CA THR A 117 3.074 10.238 9.401 1.00 0.00 C ATOM 650 C THR A 117 1.703 10.609 8.852 1.00 0.00 C ATOM 651 O THR A 117 1.327 10.173 7.764 1.00 0.00 O ATOM 652 CB THR A 117 3.987 11.467 9.394 1.00 0.00 C ATOM 653 OG1 THR A 117 4.078 11.979 8.071 1.00 0.00 O ATOM 654 CG2 THR A 117 5.377 11.072 9.890 1.00 0.00 C ATOM 0 H THR A 117 4.188 9.506 7.784 1.00 0.00 H new ATOM 0 HA THR A 117 2.974 9.885 10.427 1.00 0.00 H new ATOM 0 HB THR A 117 3.575 12.233 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.661 12.767 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.027 11.947 9.885 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.304 10.680 10.904 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.793 10.307 9.235 1.00 0.00 H new ATOM 662 N ASP A 118 0.951 11.402 9.602 1.00 0.00 N ATOM 663 CA ASP A 118 -0.379 11.796 9.158 1.00 0.00 C ATOM 664 C ASP A 118 -0.298 12.527 7.823 1.00 0.00 C ATOM 665 O ASP A 118 -1.142 12.331 6.947 1.00 0.00 O ATOM 666 CB ASP A 118 -1.029 12.707 10.201 1.00 0.00 C ATOM 667 CG ASP A 118 -1.409 11.897 11.436 1.00 0.00 C ATOM 668 OD1 ASP A 118 -1.396 10.681 11.349 1.00 0.00 O ATOM 669 OD2 ASP A 118 -1.705 12.506 12.451 1.00 0.00 O ATOM 0 H ASP A 118 1.232 11.780 10.506 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.984 10.898 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.341 13.506 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.916 13.181 9.780 1.00 0.00 H new ATOM 674 N GLU A 119 0.721 13.366 7.665 1.00 0.00 N ATOM 675 CA GLU A 119 0.892 14.109 6.422 1.00 0.00 C ATOM 676 C GLU A 119 1.114 13.155 5.250 1.00 0.00 C ATOM 677 O GLU A 119 0.517 13.320 4.186 1.00 0.00 O ATOM 678 CB GLU A 119 2.087 15.060 6.548 1.00 0.00 C ATOM 679 CG GLU A 119 2.232 15.883 5.264 1.00 0.00 C ATOM 680 CD GLU A 119 3.374 16.883 5.412 1.00 0.00 C ATOM 681 OE1 GLU A 119 3.989 16.898 6.465 1.00 0.00 O ATOM 682 OE2 GLU A 119 3.617 17.618 4.469 1.00 0.00 O ATOM 0 H GLU A 119 1.433 13.547 8.373 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.014 14.685 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.948 15.723 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.999 14.491 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.423 15.222 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.301 16.410 5.053 1.00 0.00 H new ATOM 689 N GLU A 120 1.959 12.146 5.453 1.00 0.00 N ATOM 690 CA GLU A 120 2.224 11.170 4.401 1.00 0.00 C ATOM 691 C GLU A 120 0.985 10.331 4.124 1.00 0.00 C ATOM 692 O GLU A 120 0.641 10.086 2.972 1.00 0.00 O ATOM 693 CB GLU A 120 3.399 10.271 4.797 1.00 0.00 C ATOM 694 CG GLU A 120 4.690 11.093 4.723 1.00 0.00 C ATOM 695 CD GLU A 120 5.888 10.259 5.164 1.00 0.00 C ATOM 696 OE1 GLU A 120 5.887 9.812 6.298 1.00 0.00 O ATOM 697 OE2 GLU A 120 6.793 10.088 4.363 1.00 0.00 O ATOM 0 H GLU A 120 2.465 11.985 6.324 1.00 0.00 H new ATOM 0 HA GLU A 120 2.485 11.707 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.255 9.883 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.459 9.411 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.843 11.447 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.602 11.975 5.357 1.00 0.00 H new ATOM 704 N VAL A 121 0.308 9.911 5.186 1.00 0.00 N ATOM 705 CA VAL A 121 -0.904 9.113 5.037 1.00 0.00 C ATOM 706 C VAL A 121 -1.988 9.923 4.328 1.00 0.00 C ATOM 707 O VAL A 121 -2.635 9.437 3.408 1.00 0.00 O ATOM 708 CB VAL A 121 -1.406 8.661 6.417 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.790 8.031 6.288 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.449 7.621 6.998 1.00 0.00 C ATOM 0 H VAL A 121 0.574 10.107 6.151 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.673 8.234 4.435 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.456 9.530 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.138 7.713 7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.485 8.762 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.736 7.167 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.808 7.303 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.400 6.760 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.544 8.058 7.100 1.00 0.00 H new ATOM 720 N ASP A 122 -2.189 11.163 4.755 1.00 0.00 N ATOM 721 CA ASP A 122 -3.215 11.995 4.138 1.00 0.00 C ATOM 722 C ASP A 122 -3.054 11.963 2.625 1.00 0.00 C ATOM 723 O ASP A 122 -4.033 11.855 1.886 1.00 0.00 O ATOM 724 CB ASP A 122 -3.102 13.435 4.643 1.00 0.00 C ATOM 725 CG ASP A 122 -4.218 14.288 4.047 1.00 0.00 C ATOM 726 OD1 ASP A 122 -4.923 13.788 3.187 1.00 0.00 O ATOM 727 OD2 ASP A 122 -4.349 15.429 4.460 1.00 0.00 O ATOM 0 H ASP A 122 -1.668 11.608 5.510 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.197 11.606 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.162 13.453 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.131 13.849 4.370 1.00 0.00 H new ATOM 732 N GLU A 123 -1.812 12.027 2.174 1.00 0.00 N ATOM 733 CA GLU A 123 -1.524 11.973 0.749 1.00 0.00 C ATOM 734 C GLU A 123 -1.986 10.630 0.188 1.00 0.00 C ATOM 735 O GLU A 123 -2.514 10.554 -0.922 1.00 0.00 O ATOM 736 CB GLU A 123 -0.018 12.145 0.517 1.00 0.00 C ATOM 737 CG GLU A 123 0.288 12.153 -0.986 1.00 0.00 C ATOM 738 CD GLU A 123 -0.362 13.361 -1.648 1.00 0.00 C ATOM 739 OE1 GLU A 123 -0.664 14.307 -0.941 1.00 0.00 O ATOM 740 OE2 GLU A 123 -0.546 13.325 -2.853 1.00 0.00 O ATOM 0 H GLU A 123 -0.990 12.116 2.771 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.055 12.778 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.323 13.076 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.527 11.335 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.366 12.178 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.081 11.235 -1.445 1.00 0.00 H new ATOM 747 N MET A 124 -1.784 9.574 0.972 1.00 0.00 N ATOM 748 CA MET A 124 -2.178 8.228 0.567 1.00 0.00 C ATOM 749 C MET A 124 -3.702 8.088 0.566 1.00 0.00 C ATOM 750 O MET A 124 -4.275 7.431 -0.302 1.00 0.00 O ATOM 751 CB MET A 124 -1.574 7.217 1.543 1.00 0.00 C ATOM 752 CG MET A 124 -0.051 7.275 1.438 1.00 0.00 C ATOM 753 SD MET A 124 0.701 6.253 2.727 1.00 0.00 S ATOM 754 CE MET A 124 0.238 4.649 2.042 1.00 0.00 C ATOM 0 H MET A 124 -1.349 9.625 1.893 1.00 0.00 H new ATOM 0 HA MET A 124 -1.813 8.041 -0.443 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.890 7.442 2.562 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.930 6.213 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.267 6.927 0.455 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.289 8.306 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.892 3.877 2.448 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.795 4.425 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.337 4.675 0.957 1.00 0.00 H new ATOM 764 N ILE A 125 -4.347 8.700 1.563 1.00 0.00 N ATOM 765 CA ILE A 125 -5.805 8.630 1.695 1.00 0.00 C ATOM 766 C ILE A 125 -6.502 9.215 0.470 1.00 0.00 C ATOM 767 O ILE A 125 -7.487 8.659 -0.015 1.00 0.00 O ATOM 768 CB ILE A 125 -6.237 9.366 2.974 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.489 8.348 4.091 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.503 10.201 2.745 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.229 7.522 4.332 1.00 0.00 C ATOM 0 H ILE A 125 -3.884 9.248 2.288 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.101 7.583 1.765 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.433 10.045 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.778 8.864 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.317 7.694 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.778 10.706 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.314 10.943 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.318 9.548 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.414 6.800 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.960 6.994 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.412 8.182 4.624 1.00 0.00 H new ATOM 783 N ARG A 126 -5.995 10.336 -0.028 1.00 0.00 N ATOM 784 CA ARG A 126 -6.593 10.973 -1.196 1.00 0.00 C ATOM 785 C ARG A 126 -6.417 10.099 -2.434 1.00 0.00 C ATOM 786 O ARG A 126 -7.208 10.169 -3.374 1.00 0.00 O ATOM 787 CB ARG A 126 -5.963 12.347 -1.435 1.00 0.00 C ATOM 788 CG ARG A 126 -6.421 13.315 -0.341 1.00 0.00 C ATOM 789 CD ARG A 126 -5.893 14.719 -0.642 1.00 0.00 C ATOM 790 NE ARG A 126 -4.446 14.765 -0.480 1.00 0.00 N ATOM 791 CZ ARG A 126 -3.757 15.856 -0.798 1.00 0.00 C ATOM 792 NH1 ARG A 126 -4.374 16.900 -1.278 1.00 0.00 N ATOM 793 NH2 ARG A 126 -2.464 15.883 -0.631 1.00 0.00 N ATOM 0 H ARG A 126 -5.181 10.819 0.353 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.659 11.100 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.876 12.266 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -6.252 12.726 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.510 13.329 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.058 12.980 0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.160 15.004 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -6.363 15.442 0.025 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.955 13.948 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.385 16.879 -1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.845 17.737 -1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.981 15.067 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.936 16.721 -0.875 1.00 0.00 H new ATOM 807 N GLU A 127 -5.378 9.272 -2.423 1.00 0.00 N ATOM 808 CA GLU A 127 -5.110 8.381 -3.547 1.00 0.00 C ATOM 809 C GLU A 127 -5.696 6.992 -3.294 1.00 0.00 C ATOM 810 O GLU A 127 -5.562 6.096 -4.126 1.00 0.00 O ATOM 811 CB GLU A 127 -3.601 8.267 -3.773 1.00 0.00 C ATOM 812 CG GLU A 127 -3.023 9.652 -4.073 1.00 0.00 C ATOM 813 CD GLU A 127 -3.570 10.170 -5.400 1.00 0.00 C ATOM 814 OE1 GLU A 127 -4.027 9.358 -6.187 1.00 0.00 O ATOM 815 OE2 GLU A 127 -3.524 11.371 -5.608 1.00 0.00 O ATOM 0 H GLU A 127 -4.711 9.199 -1.654 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.582 8.801 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.121 7.845 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.397 7.589 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.279 10.343 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.935 9.600 -4.114 1.00 0.00 H new ATOM 822 N ALA A 128 -6.330 6.814 -2.137 1.00 0.00 N ATOM 823 CA ALA A 128 -6.910 5.518 -1.787 1.00 0.00 C ATOM 824 C ALA A 128 -8.377 5.419 -2.228 1.00 0.00 C ATOM 825 O ALA A 128 -8.674 4.777 -3.231 1.00 0.00 O ATOM 826 CB ALA A 128 -6.785 5.295 -0.276 1.00 0.00 C ATOM 0 H ALA A 128 -6.455 7.541 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.360 4.739 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.217 4.329 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.733 5.311 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.316 6.086 0.254 1.00 0.00 H new ATOM 832 N ASP A 129 -9.292 6.046 -1.484 1.00 0.00 N ATOM 833 CA ASP A 129 -10.717 5.999 -1.833 1.00 0.00 C ATOM 834 C ASP A 129 -11.573 6.552 -0.691 1.00 0.00 C ATOM 835 O ASP A 129 -11.779 7.761 -0.583 1.00 0.00 O ATOM 836 CB ASP A 129 -11.137 4.552 -2.153 1.00 0.00 C ATOM 837 CG ASP A 129 -11.174 4.335 -3.664 1.00 0.00 C ATOM 838 OD1 ASP A 129 -11.739 5.171 -4.350 1.00 0.00 O ATOM 839 OD2 ASP A 129 -10.640 3.334 -4.113 1.00 0.00 O ATOM 0 H ASP A 129 -9.077 6.586 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.875 6.620 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.437 3.853 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -12.118 4.347 -1.725 1.00 0.00 H new ATOM 844 N ILE A 130 -12.057 5.656 0.158 1.00 0.00 N ATOM 845 CA ILE A 130 -12.885 6.027 1.298 1.00 0.00 C ATOM 846 C ILE A 130 -14.057 6.906 0.886 1.00 0.00 C ATOM 847 O ILE A 130 -14.267 7.974 1.460 1.00 0.00 O ATOM 848 CB ILE A 130 -12.064 6.776 2.343 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.752 6.036 2.609 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.870 6.843 3.645 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.823 6.933 3.421 1.00 0.00 C ATOM 0 H ILE A 130 -11.887 4.653 0.077 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.269 5.098 1.718 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.842 7.779 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.947 5.110 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.279 5.761 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.295 7.376 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.808 7.368 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.081 5.832 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.887 6.409 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.620 7.847 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.298 7.185 4.369 1.00 0.00 H new ATOM 894 N GLY A 134 -15.350 2.796 3.356 1.00 0.00 N ATOM 895 CA GLY A 134 -14.038 2.655 3.976 1.00 0.00 C ATOM 896 C GLY A 134 -13.247 1.495 3.374 1.00 0.00 C ATOM 897 O GLY A 134 -12.532 0.791 4.088 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.476 3.581 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.158 2.496 5.048 1.00 0.00 H new ATOM 901 N GLN A 135 -13.355 1.320 2.057 1.00 0.00 N ATOM 902 CA GLN A 135 -12.618 0.262 1.366 1.00 0.00 C ATOM 903 C GLN A 135 -11.708 0.875 0.314 1.00 0.00 C ATOM 904 O GLN A 135 -12.041 1.897 -0.284 1.00 0.00 O ATOM 905 CB GLN A 135 -13.576 -0.731 0.699 1.00 0.00 C ATOM 906 CG GLN A 135 -14.695 0.027 -0.013 1.00 0.00 C ATOM 907 CD GLN A 135 -15.636 -0.961 -0.695 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.354 -1.424 -1.801 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.737 -1.323 -0.093 1.00 0.00 N ATOM 0 H GLN A 135 -13.942 1.893 1.450 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.022 -0.276 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.033 -1.351 -0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -13.998 -1.402 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.248 0.635 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.272 0.709 -0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -16.968 -0.938 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -17.366 -1.991 -0.539 1.00 0.00 H new ATOM 918 N VAL A 136 -10.551 0.257 0.108 1.00 0.00 N ATOM 919 CA VAL A 136 -9.582 0.756 -0.856 1.00 0.00 C ATOM 920 C VAL A 136 -9.159 -0.318 -1.844 1.00 0.00 C ATOM 921 O VAL A 136 -8.838 -1.444 -1.461 1.00 0.00 O ATOM 922 CB VAL A 136 -8.351 1.269 -0.112 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.143 1.289 -1.053 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.624 2.687 0.372 1.00 0.00 C ATOM 0 H VAL A 136 -10.262 -0.591 0.597 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.054 1.561 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.139 0.614 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.269 1.656 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.948 0.280 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.351 1.945 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.751 3.064 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.832 3.330 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.484 2.684 1.041 1.00 0.00 H new ATOM 934 N ASN A 137 -9.130 0.054 -3.117 1.00 0.00 N ATOM 935 CA ASN A 137 -8.708 -0.867 -4.156 1.00 0.00 C ATOM 936 C ASN A 137 -7.197 -0.744 -4.341 1.00 0.00 C ATOM 937 O ASN A 137 -6.709 0.273 -4.826 1.00 0.00 O ATOM 938 CB ASN A 137 -9.420 -0.539 -5.470 1.00 0.00 C ATOM 939 CG ASN A 137 -9.002 0.842 -5.966 1.00 0.00 C ATOM 940 OD1 ASN A 137 -8.563 1.680 -5.177 1.00 0.00 O ATOM 941 ND2 ASN A 137 -9.114 1.131 -7.233 1.00 0.00 N ATOM 0 H ASN A 137 -9.392 0.982 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.964 -1.886 -3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.178 -1.291 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -10.500 -0.570 -5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.838 2.052 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.478 0.436 -7.885 1.00 0.00 H new ATOM 948 N TYR A 138 -6.452 -1.763 -3.930 1.00 0.00 N ATOM 949 CA TYR A 138 -4.996 -1.713 -4.041 1.00 0.00 C ATOM 950 C TYR A 138 -4.542 -1.657 -5.498 1.00 0.00 C ATOM 951 O TYR A 138 -3.357 -1.476 -5.775 1.00 0.00 O ATOM 952 CB TYR A 138 -4.359 -2.926 -3.358 1.00 0.00 C ATOM 953 CG TYR A 138 -4.908 -4.210 -3.941 1.00 0.00 C ATOM 954 CD1 TYR A 138 -4.425 -4.687 -5.165 1.00 0.00 C ATOM 955 CD2 TYR A 138 -5.893 -4.930 -3.252 1.00 0.00 C ATOM 956 CE1 TYR A 138 -4.927 -5.880 -5.699 1.00 0.00 C ATOM 957 CE2 TYR A 138 -6.392 -6.123 -3.780 1.00 0.00 C ATOM 958 CZ TYR A 138 -5.910 -6.601 -5.006 1.00 0.00 C ATOM 959 OH TYR A 138 -6.397 -7.780 -5.531 1.00 0.00 O ATOM 0 H TYR A 138 -6.822 -2.622 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.669 -0.801 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.277 -2.896 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.556 -2.893 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -3.665 -4.135 -5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.268 -4.561 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.557 -6.245 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.149 -6.677 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 138 -6.667 -8.376 -4.801 1.00 0.00 H new ATOM 969 N GLU A 139 -5.476 -1.835 -6.423 1.00 0.00 N ATOM 970 CA GLU A 139 -5.123 -1.822 -7.840 1.00 0.00 C ATOM 971 C GLU A 139 -4.498 -0.484 -8.239 1.00 0.00 C ATOM 972 O GLU A 139 -3.445 -0.458 -8.877 1.00 0.00 O ATOM 973 CB GLU A 139 -6.369 -2.083 -8.691 1.00 0.00 C ATOM 974 CG GLU A 139 -5.987 -2.113 -10.175 1.00 0.00 C ATOM 975 CD GLU A 139 -7.205 -2.480 -11.018 1.00 0.00 C ATOM 976 OE1 GLU A 139 -8.259 -2.689 -10.440 1.00 0.00 O ATOM 977 OE2 GLU A 139 -7.065 -2.546 -12.228 1.00 0.00 O ATOM 0 H GLU A 139 -6.465 -1.987 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.390 -2.610 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.825 -3.031 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.112 -1.305 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.603 -1.140 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.189 -2.837 -10.339 1.00 0.00 H new ATOM 984 N GLU A 140 -5.147 0.624 -7.885 1.00 0.00 N ATOM 985 CA GLU A 140 -4.621 1.940 -8.250 1.00 0.00 C ATOM 986 C GLU A 140 -3.260 2.173 -7.609 1.00 0.00 C ATOM 987 O GLU A 140 -2.363 2.744 -8.228 1.00 0.00 O ATOM 988 CB GLU A 140 -5.589 3.037 -7.806 1.00 0.00 C ATOM 989 CG GLU A 140 -5.623 3.114 -6.279 1.00 0.00 C ATOM 990 CD GLU A 140 -6.736 4.049 -5.831 1.00 0.00 C ATOM 991 OE1 GLU A 140 -7.419 4.582 -6.690 1.00 0.00 O ATOM 992 OE2 GLU A 140 -6.891 4.217 -4.635 1.00 0.00 O ATOM 0 H GLU A 140 -6.020 0.640 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.510 1.972 -9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.280 3.997 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.588 2.831 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.781 2.120 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.664 3.470 -5.903 1.00 0.00 H new ATOM 999 N PHE A 141 -3.106 1.711 -6.376 1.00 0.00 N ATOM 1000 CA PHE A 141 -1.836 1.866 -5.680 1.00 0.00 C ATOM 1001 C PHE A 141 -0.743 1.144 -6.449 1.00 0.00 C ATOM 1002 O PHE A 141 0.350 1.667 -6.634 1.00 0.00 O ATOM 1003 CB PHE A 141 -1.925 1.311 -4.258 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.129 2.447 -3.284 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.060 3.305 -2.998 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.370 2.642 -2.661 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.229 4.358 -2.093 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.534 3.697 -1.756 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.465 4.553 -1.472 1.00 0.00 C ATOM 0 H PHE A 141 -3.833 1.233 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.599 2.928 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.750 0.602 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.014 0.766 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.104 3.154 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.196 1.981 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.404 5.020 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.489 3.851 -1.275 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.595 5.365 -0.772 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.054 -0.050 -6.927 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.089 -0.806 -7.704 1.00 0.00 C ATOM 1021 C VAL A 142 0.240 -0.050 -8.981 1.00 0.00 C ATOM 1022 O VAL A 142 1.400 0.029 -9.385 1.00 0.00 O ATOM 1023 CB VAL A 142 -0.632 -2.198 -8.015 1.00 0.00 C ATOM 1024 CG1 VAL A 142 0.272 -2.881 -9.042 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -0.626 -3.014 -6.723 1.00 0.00 C ATOM 0 H VAL A 142 -1.954 -0.510 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 142 0.827 -0.927 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.643 -2.125 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.116 -3.875 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.296 -2.288 -9.956 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.281 -2.967 -8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.011 -4.014 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.393 -3.086 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.256 -2.524 -5.980 1.00 0.00 H new ATOM 1035 N GLN A 143 -0.783 0.527 -9.601 1.00 0.00 N ATOM 1036 CA GLN A 143 -0.572 1.297 -10.816 1.00 0.00 C ATOM 1037 C GLN A 143 0.342 2.475 -10.509 1.00 0.00 C ATOM 1038 O GLN A 143 1.246 2.786 -11.279 1.00 0.00 O ATOM 1039 CB GLN A 143 -1.909 1.812 -11.354 1.00 0.00 C ATOM 1040 CG GLN A 143 -2.739 0.644 -11.881 1.00 0.00 C ATOM 1041 CD GLN A 143 -2.089 0.075 -13.134 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -1.961 0.770 -14.142 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -1.648 -1.147 -13.123 1.00 0.00 N ATOM 0 H GLN A 143 -1.752 0.477 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.112 0.658 -11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -2.454 2.330 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.736 2.536 -12.150 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.820 -0.130 -11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -3.752 0.978 -12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -1.755 -1.720 -12.286 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.194 -1.533 -13.951 1.00 0.00 H new ATOM 1052 N MET A 144 0.115 3.114 -9.361 1.00 0.00 N ATOM 1053 CA MET A 144 0.944 4.243 -8.957 1.00 0.00 C ATOM 1054 C MET A 144 2.390 3.778 -8.833 1.00 0.00 C ATOM 1055 O MET A 144 3.316 4.449 -9.288 1.00 0.00 O ATOM 1056 CB MET A 144 0.460 4.781 -7.603 1.00 0.00 C ATOM 1057 CG MET A 144 -0.894 5.475 -7.766 1.00 0.00 C ATOM 1058 SD MET A 144 -1.725 5.582 -6.156 1.00 0.00 S ATOM 1059 CE MET A 144 -0.507 6.613 -5.302 1.00 0.00 C ATOM 0 H MET A 144 -0.627 2.871 -8.704 1.00 0.00 H new ATOM 0 HA MET A 144 0.873 5.035 -9.702 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.374 3.963 -6.888 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.190 5.482 -7.199 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.754 6.473 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.515 4.921 -8.470 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.947 7.016 -4.390 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.366 6.011 -5.049 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.205 7.434 -5.952 1.00 0.00 H new ATOM 1069 N MET A 145 2.567 2.619 -8.206 1.00 0.00 N ATOM 1070 CA MET A 145 3.894 2.046 -8.006 1.00 0.00 C ATOM 1071 C MET A 145 4.484 1.527 -9.313 1.00 0.00 C ATOM 1072 O MET A 145 5.691 1.293 -9.396 1.00 0.00 O ATOM 1073 CB MET A 145 3.798 0.886 -7.013 1.00 0.00 C ATOM 1074 CG MET A 145 3.363 1.415 -5.648 1.00 0.00 C ATOM 1075 SD MET A 145 3.050 0.016 -4.542 1.00 0.00 S ATOM 1076 CE MET A 145 2.339 0.945 -3.159 1.00 0.00 C ATOM 0 H MET A 145 1.805 2.057 -7.827 1.00 0.00 H new ATOM 0 HA MET A 145 4.545 2.831 -7.622 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.083 0.145 -7.372 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.762 0.385 -6.930 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.137 2.059 -5.230 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.464 2.023 -5.749 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.975 0.834 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.270 1.999 -3.426 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.343 0.561 -2.937 1.00 0.00 H new ATOM 1214 N ASP B 35 0.518 -10.282 14.229 1.00 0.00 N ATOM 1215 CA ASP B 35 1.624 -11.004 14.850 1.00 0.00 C ATOM 1216 C ASP B 35 2.541 -11.633 13.803 1.00 0.00 C ATOM 1217 O ASP B 35 3.761 -11.641 13.966 1.00 0.00 O ATOM 1218 CB ASP B 35 1.078 -12.100 15.769 1.00 0.00 C ATOM 1219 CG ASP B 35 2.226 -12.782 16.505 1.00 0.00 C ATOM 1220 OD1 ASP B 35 3.367 -12.508 16.170 1.00 0.00 O ATOM 1221 OD2 ASP B 35 1.948 -13.569 17.395 1.00 0.00 O ATOM 0 HA ASP B 35 2.206 -10.287 15.429 1.00 0.00 H new ATOM 0 HB2 ASP B 35 0.379 -11.670 16.487 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.523 -12.834 15.184 1.00 0.00 H new ATOM 1226 N ALA B 36 1.956 -12.173 12.740 1.00 0.00 N ATOM 1227 CA ALA B 36 2.754 -12.814 11.698 1.00 0.00 C ATOM 1228 C ALA B 36 3.741 -11.809 11.085 1.00 0.00 C ATOM 1229 O ALA B 36 3.377 -10.659 10.837 1.00 0.00 O ATOM 1230 CB ALA B 36 1.841 -13.361 10.600 1.00 0.00 C ATOM 0 H ALA B 36 0.949 -12.181 12.577 1.00 0.00 H new ATOM 0 HA ALA B 36 3.313 -13.634 12.148 1.00 0.00 H new ATOM 0 HB1 ALA B 36 2.445 -13.837 9.828 1.00 0.00 H new ATOM 0 HB2 ALA B 36 1.156 -14.093 11.028 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.270 -12.543 10.161 1.00 0.00 H new ATOM 1236 N PRO B 37 4.977 -12.202 10.841 1.00 0.00 N ATOM 1237 CA PRO B 37 6.004 -11.290 10.256 1.00 0.00 C ATOM 1238 C PRO B 37 5.731 -10.950 8.793 1.00 0.00 C ATOM 1239 O PRO B 37 6.214 -9.939 8.282 1.00 0.00 O ATOM 1240 CB PRO B 37 7.308 -12.064 10.399 1.00 0.00 C ATOM 1241 CG PRO B 37 6.901 -13.486 10.403 1.00 0.00 C ATOM 1242 CD PRO B 37 5.538 -13.542 11.083 1.00 0.00 C ATOM 0 HA PRO B 37 6.015 -10.326 10.764 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.989 -11.849 9.575 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.828 -11.798 11.320 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.844 -13.877 9.387 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.628 -14.096 10.939 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.909 -14.323 10.657 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.630 -13.752 12.149 1.00 0.00 H new ATOM 1250 N GLU B 38 4.963 -11.801 8.122 1.00 0.00 N ATOM 1251 CA GLU B 38 4.645 -11.578 6.716 1.00 0.00 C ATOM 1252 C GLU B 38 3.866 -10.279 6.545 1.00 0.00 C ATOM 1253 O GLU B 38 4.103 -9.524 5.600 1.00 0.00 O ATOM 1254 CB GLU B 38 3.815 -12.749 6.171 1.00 0.00 C ATOM 1255 CG GLU B 38 4.681 -14.012 6.067 1.00 0.00 C ATOM 1256 CD GLU B 38 4.803 -14.692 7.427 1.00 0.00 C ATOM 1257 OE1 GLU B 38 4.206 -14.204 8.372 1.00 0.00 O ATOM 1258 OE2 GLU B 38 5.498 -15.693 7.507 1.00 0.00 O ATOM 0 H GLU B 38 4.552 -12.644 8.524 1.00 0.00 H new ATOM 0 HA GLU B 38 5.579 -11.507 6.159 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.964 -12.936 6.826 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.413 -12.494 5.191 1.00 0.00 H new ATOM 0 HG2 GLU B 38 4.242 -14.703 5.347 1.00 0.00 H new ATOM 0 HG3 GLU B 38 5.672 -13.751 5.695 1.00 0.00 H new ATOM 1265 N THR B 39 2.940 -10.016 7.462 1.00 0.00 N ATOM 1266 CA THR B 39 2.145 -8.797 7.391 1.00 0.00 C ATOM 1267 C THR B 39 3.044 -7.574 7.516 1.00 0.00 C ATOM 1268 O THR B 39 2.920 -6.619 6.749 1.00 0.00 O ATOM 1269 CB THR B 39 1.097 -8.784 8.507 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.238 -9.905 8.361 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.274 -7.497 8.420 1.00 0.00 C ATOM 0 H THR B 39 2.724 -10.623 8.253 1.00 0.00 H new ATOM 0 HA THR B 39 1.638 -8.769 6.426 1.00 0.00 H new ATOM 0 HB THR B 39 1.596 -8.831 9.475 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.432 -9.899 9.076 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.472 -7.488 9.215 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.933 -6.636 8.531 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.226 -7.449 7.452 1.00 0.00 H new ATOM 1279 N GLU B 40 3.955 -7.614 8.482 1.00 0.00 N ATOM 1280 CA GLU B 40 4.876 -6.506 8.691 1.00 0.00 C ATOM 1281 C GLU B 40 5.763 -6.323 7.464 1.00 0.00 C ATOM 1282 O GLU B 40 6.000 -5.200 7.020 1.00 0.00 O ATOM 1283 CB GLU B 40 5.743 -6.773 9.924 1.00 0.00 C ATOM 1284 CG GLU B 40 6.668 -5.579 10.176 1.00 0.00 C ATOM 1285 CD GLU B 40 7.483 -5.810 11.443 1.00 0.00 C ATOM 1286 OE1 GLU B 40 7.310 -6.852 12.053 1.00 0.00 O ATOM 1287 OE2 GLU B 40 8.268 -4.941 11.786 1.00 0.00 O ATOM 0 H GLU B 40 4.074 -8.395 9.127 1.00 0.00 H new ATOM 0 HA GLU B 40 4.300 -5.595 8.850 1.00 0.00 H new ATOM 0 HB2 GLU B 40 5.110 -6.945 10.795 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.333 -7.677 9.776 1.00 0.00 H new ATOM 0 HG2 GLU B 40 7.335 -5.439 9.325 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.080 -4.667 10.273 1.00 0.00 H new ATOM 1294 N ARG B 41 6.248 -7.436 6.921 1.00 0.00 N ATOM 1295 CA ARG B 41 7.109 -7.388 5.743 1.00 0.00 C ATOM 1296 C ARG B 41 6.352 -6.810 4.551 1.00 0.00 C ATOM 1297 O ARG B 41 6.899 -6.021 3.780 1.00 0.00 O ATOM 1298 CB ARG B 41 7.601 -8.799 5.401 1.00 0.00 C ATOM 1299 CG ARG B 41 8.599 -9.284 6.462 1.00 0.00 C ATOM 1300 CD ARG B 41 10.014 -8.802 6.120 1.00 0.00 C ATOM 1301 NE ARG B 41 10.481 -9.442 4.895 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.625 -9.082 4.325 1.00 0.00 C ATOM 1303 NH1 ARG B 41 12.354 -8.141 4.862 1.00 0.00 N ATOM 1304 NH2 ARG B 41 12.022 -9.670 3.231 1.00 0.00 N ATOM 0 H ARG B 41 6.062 -8.375 7.274 1.00 0.00 H new ATOM 0 HA ARG B 41 7.963 -6.747 5.963 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.755 -9.484 5.347 1.00 0.00 H new ATOM 0 HB3 ARG B 41 8.074 -8.799 4.419 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.307 -8.910 7.443 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.581 -10.372 6.517 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.018 -7.719 5.997 1.00 0.00 H new ATOM 0 HD3 ARG B 41 10.693 -9.032 6.941 1.00 0.00 H new ATOM 0 HE ARG B 41 9.919 -10.179 4.469 1.00 0.00 H new ATOM 0 HH11 ARG B 41 12.045 -7.683 5.719 1.00 0.00 H new ATOM 0 HH12 ARG B 41 13.233 -7.864 4.424 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.454 -10.407 2.813 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.901 -9.393 2.793 1.00 0.00 H new ATOM 1318 N ALA B 42 5.090 -7.203 4.411 1.00 0.00 N ATOM 1319 CA ALA B 42 4.267 -6.711 3.312 1.00 0.00 C ATOM 1320 C ALA B 42 4.110 -5.199 3.412 1.00 0.00 C ATOM 1321 O ALA B 42 4.151 -4.489 2.407 1.00 0.00 O ATOM 1322 CB ALA B 42 2.889 -7.377 3.352 1.00 0.00 C ATOM 0 H ALA B 42 4.618 -7.855 5.038 1.00 0.00 H new ATOM 0 HA ALA B 42 4.756 -6.957 2.369 1.00 0.00 H new ATOM 0 HB1 ALA B 42 2.281 -7.004 2.528 1.00 0.00 H new ATOM 0 HB2 ALA B 42 3.004 -8.457 3.258 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.400 -7.145 4.298 1.00 0.00 H new ATOM 1328 N ALA B 43 3.932 -4.717 4.635 1.00 0.00 N ATOM 1329 CA ALA B 43 3.772 -3.289 4.875 1.00 0.00 C ATOM 1330 C ALA B 43 5.018 -2.524 4.435 1.00 0.00 C ATOM 1331 O ALA B 43 4.922 -1.424 3.889 1.00 0.00 O ATOM 1332 CB ALA B 43 3.516 -3.038 6.362 1.00 0.00 C ATOM 0 H ALA B 43 3.895 -5.293 5.476 1.00 0.00 H new ATOM 0 HA ALA B 43 2.921 -2.936 4.293 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.397 -1.968 6.535 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.608 -3.558 6.668 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.360 -3.408 6.944 1.00 0.00 H new ATOM 1338 N VAL B 44 6.187 -3.104 4.690 1.00 0.00 N ATOM 1339 CA VAL B 44 7.447 -2.458 4.331 1.00 0.00 C ATOM 1340 C VAL B 44 7.545 -2.220 2.827 1.00 0.00 C ATOM 1341 O VAL B 44 7.915 -1.130 2.391 1.00 0.00 O ATOM 1342 CB VAL B 44 8.625 -3.331 4.771 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.921 -2.770 4.183 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.724 -3.331 6.298 1.00 0.00 C ATOM 0 H VAL B 44 6.289 -4.013 5.140 1.00 0.00 H new ATOM 0 HA VAL B 44 7.479 -1.495 4.840 1.00 0.00 H new ATOM 0 HB VAL B 44 8.470 -4.350 4.416 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.761 -3.391 4.495 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.856 -2.768 3.095 1.00 0.00 H new ATOM 0 HG13 VAL B 44 10.071 -1.751 4.539 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.563 -3.953 6.608 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.877 -2.312 6.653 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.802 -3.728 6.722 1.00 0.00 H new ATOM 1354 N ALA B 45 7.229 -3.241 2.037 1.00 0.00 N ATOM 1355 CA ALA B 45 7.308 -3.112 0.585 1.00 0.00 C ATOM 1356 C ALA B 45 6.357 -2.037 0.074 1.00 0.00 C ATOM 1357 O ALA B 45 6.735 -1.204 -0.747 1.00 0.00 O ATOM 1358 CB ALA B 45 6.967 -4.450 -0.073 1.00 0.00 C ATOM 0 H ALA B 45 6.920 -4.154 2.370 1.00 0.00 H new ATOM 0 HA ALA B 45 8.326 -2.821 0.326 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.027 -4.348 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.674 -5.210 0.260 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.956 -4.746 0.208 1.00 0.00 H new ATOM 1364 N ILE B 46 5.125 -2.053 0.565 1.00 0.00 N ATOM 1365 CA ILE B 46 4.141 -1.065 0.145 1.00 0.00 C ATOM 1366 C ILE B 46 4.578 0.335 0.558 1.00 0.00 C ATOM 1367 O ILE B 46 4.549 1.271 -0.241 1.00 0.00 O ATOM 1368 CB ILE B 46 2.786 -1.393 0.769 1.00 0.00 C ATOM 1369 CG1 ILE B 46 2.250 -2.681 0.143 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.805 -0.247 0.509 1.00 0.00 C ATOM 1371 CD1 ILE B 46 1.058 -3.184 0.955 1.00 0.00 C ATOM 0 H ILE B 46 4.786 -2.731 1.247 1.00 0.00 H new ATOM 0 HA ILE B 46 4.056 -1.094 -0.941 1.00 0.00 H new ATOM 0 HB ILE B 46 2.900 -1.525 1.845 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.950 -2.499 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE B 46 3.033 -3.439 0.118 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.840 -0.486 0.956 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.193 0.671 0.951 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.683 -0.109 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.675 -4.102 0.509 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.373 -3.382 1.979 1.00 0.00 H new ATOM 0 HD13 ILE B 46 0.274 -2.427 0.957 1.00 0.00 H new ATOM 1383 N GLN B 47 4.984 0.462 1.815 1.00 0.00 N ATOM 1384 CA GLN B 47 5.432 1.744 2.341 1.00 0.00 C ATOM 1385 C GLN B 47 6.729 2.197 1.676 1.00 0.00 C ATOM 1386 O GLN B 47 6.907 3.382 1.394 1.00 0.00 O ATOM 1387 CB GLN B 47 5.626 1.640 3.853 1.00 0.00 C ATOM 1388 CG GLN B 47 4.257 1.514 4.526 1.00 0.00 C ATOM 1389 CD GLN B 47 4.418 1.463 6.041 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.245 2.180 6.604 1.00 0.00 O ATOM 1391 NE2 GLN B 47 3.665 0.658 6.740 1.00 0.00 N ATOM 0 H GLN B 47 5.012 -0.305 2.487 1.00 0.00 H new ATOM 0 HA GLN B 47 4.667 2.489 2.121 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.245 0.776 4.094 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.149 2.520 4.226 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.628 2.360 4.248 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.753 0.613 4.176 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.980 0.065 6.271 1.00 0.00 H new ATOM 0 HE22 GLN B 47 3.761 0.622 7.755 1.00 0.00 H new ATOM 1400 N SER B 48 7.638 1.255 1.438 1.00 0.00 N ATOM 1401 CA SER B 48 8.913 1.592 0.816 1.00 0.00 C ATOM 1402 C SER B 48 8.693 2.153 -0.584 1.00 0.00 C ATOM 1403 O SER B 48 9.344 3.117 -0.988 1.00 0.00 O ATOM 1404 CB SER B 48 9.795 0.344 0.726 1.00 0.00 C ATOM 1405 OG SER B 48 9.175 -0.606 -0.130 1.00 0.00 O ATOM 0 H SER B 48 7.518 0.267 1.663 1.00 0.00 H new ATOM 0 HA SER B 48 9.406 2.347 1.429 1.00 0.00 H new ATOM 0 HB2 SER B 48 10.781 0.608 0.343 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.942 -0.084 1.718 1.00 0.00 H new ATOM 0 HG SER B 48 8.201 -0.517 -0.066 1.00 0.00 H new ATOM 1411 N GLN B 49 7.763 1.550 -1.313 1.00 0.00 N ATOM 1412 CA GLN B 49 7.449 2.000 -2.662 1.00 0.00 C ATOM 1413 C GLN B 49 6.759 3.359 -2.636 1.00 0.00 C ATOM 1414 O GLN B 49 6.997 4.201 -3.502 1.00 0.00 O ATOM 1415 CB GLN B 49 6.555 0.974 -3.366 1.00 0.00 C ATOM 1416 CG GLN B 49 7.357 -0.298 -3.672 1.00 0.00 C ATOM 1417 CD GLN B 49 8.459 -0.001 -4.685 1.00 0.00 C ATOM 1418 OE1 GLN B 49 9.642 -0.149 -4.377 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.140 0.413 -5.880 1.00 0.00 N ATOM 0 H GLN B 49 7.215 0.751 -0.994 1.00 0.00 H new ATOM 0 HA GLN B 49 8.384 2.099 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.699 0.732 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.161 1.396 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN B 49 7.794 -0.690 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.693 -1.069 -4.063 1.00 0.00 H new ATOM 0 HE21 GLN B 49 7.159 0.535 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN B 49 8.871 0.615 -6.562 1.00 0.00 H new ATOM 1428 N PHE B 50 5.892 3.565 -1.647 1.00 0.00 N ATOM 1429 CA PHE B 50 5.168 4.825 -1.541 1.00 0.00 C ATOM 1430 C PHE B 50 6.138 5.992 -1.406 1.00 0.00 C ATOM 1431 O PHE B 50 6.026 6.984 -2.123 1.00 0.00 O ATOM 1432 CB PHE B 50 4.216 4.798 -0.338 1.00 0.00 C ATOM 1433 CG PHE B 50 3.543 6.145 -0.207 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.688 6.590 -1.221 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.792 6.959 0.908 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.075 7.845 -1.121 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.181 8.218 1.006 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.322 8.659 -0.009 1.00 0.00 C ATOM 0 H PHE B 50 5.677 2.885 -0.918 1.00 0.00 H new ATOM 0 HA PHE B 50 4.584 4.957 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.468 4.016 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.768 4.564 0.572 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.501 5.965 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.453 6.617 1.690 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.411 8.185 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.373 8.847 1.863 1.00 0.00 H new ATOM 0 HZ PHE B 50 1.850 9.627 0.066 1.00 0.00 H new ATOM 1448 N ARG B 51 7.095 5.872 -0.494 1.00 0.00 N ATOM 1449 CA ARG B 51 8.074 6.936 -0.297 1.00 0.00 C ATOM 1450 C ARG B 51 8.875 7.159 -1.578 1.00 0.00 C ATOM 1451 O ARG B 51 9.085 8.297 -1.999 1.00 0.00 O ATOM 1452 CB ARG B 51 9.019 6.579 0.855 1.00 0.00 C ATOM 1453 CG ARG B 51 9.978 7.745 1.118 1.00 0.00 C ATOM 1454 CD ARG B 51 10.932 7.375 2.255 1.00 0.00 C ATOM 1455 NE ARG B 51 10.189 7.169 3.493 1.00 0.00 N ATOM 1456 CZ ARG B 51 9.843 8.193 4.266 1.00 0.00 C ATOM 1457 NH1 ARG B 51 10.162 9.410 3.920 1.00 0.00 N ATOM 1458 NH2 ARG B 51 9.182 7.982 5.371 1.00 0.00 N ATOM 0 H ARG B 51 7.215 5.061 0.113 1.00 0.00 H new ATOM 0 HA ARG B 51 7.544 7.855 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG B 51 8.444 6.359 1.754 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.584 5.680 0.609 1.00 0.00 H new ATOM 0 HG2 ARG B 51 10.544 7.975 0.215 1.00 0.00 H new ATOM 0 HG3 ARG B 51 9.415 8.641 1.379 1.00 0.00 H new ATOM 0 HD2 ARG B 51 11.481 6.469 1.998 1.00 0.00 H new ATOM 0 HD3 ARG B 51 11.669 8.166 2.393 1.00 0.00 H new ATOM 0 HE ARG B 51 9.930 6.222 3.770 1.00 0.00 H new ATOM 0 HH11 ARG B 51 10.677 9.576 3.056 1.00 0.00 H new ATOM 0 HH12 ARG B 51 9.896 10.195 4.514 1.00 0.00 H new ATOM 0 HH21 ARG B 51 8.931 7.031 5.641 1.00 0.00 H new ATOM 0 HH22 ARG B 51 8.916 8.768 5.964 1.00 0.00 H new ATOM 1472 N LYS B 52 9.311 6.067 -2.196 1.00 0.00 N ATOM 1473 CA LYS B 52 10.078 6.157 -3.433 1.00 0.00 C ATOM 1474 C LYS B 52 9.233 6.827 -4.510 1.00 0.00 C ATOM 1475 O LYS B 52 9.722 7.659 -5.275 1.00 0.00 O ATOM 1476 CB LYS B 52 10.503 4.759 -3.893 1.00 0.00 C ATOM 1477 CG LYS B 52 11.349 4.867 -5.166 1.00 0.00 C ATOM 1478 CD LYS B 52 11.804 3.471 -5.594 1.00 0.00 C ATOM 1479 CE LYS B 52 12.644 3.576 -6.868 1.00 0.00 C ATOM 1480 NZ LYS B 52 13.097 2.217 -7.278 1.00 0.00 N ATOM 0 H LYS B 52 9.148 5.116 -1.864 1.00 0.00 H new ATOM 0 HA LYS B 52 10.973 6.753 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS B 52 11.074 4.265 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.623 4.145 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS B 52 10.769 5.333 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS B 52 12.215 5.505 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS B 52 12.387 3.007 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS B 52 10.938 2.832 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS B 52 12.058 4.032 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS B 52 13.505 4.222 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 13.668 2.288 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 13.671 1.798 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 12.269 1.615 -7.458 1.00 0.00 H new ATOM 1494 N PHE B 53 7.959 6.457 -4.554 1.00 0.00 N ATOM 1495 CA PHE B 53 7.034 7.020 -5.527 1.00 0.00 C ATOM 1496 C PHE B 53 6.957 8.535 -5.362 1.00 0.00 C ATOM 1497 O PHE B 53 7.011 9.280 -6.340 1.00 0.00 O ATOM 1498 CB PHE B 53 5.646 6.402 -5.336 1.00 0.00 C ATOM 1499 CG PHE B 53 4.673 7.004 -6.321 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.655 6.559 -7.648 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.783 7.999 -5.904 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.747 7.111 -8.559 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.874 8.552 -6.814 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.856 8.108 -8.142 1.00 0.00 C ATOM 0 H PHE B 53 7.543 5.769 -3.926 1.00 0.00 H new ATOM 0 HA PHE B 53 7.392 6.794 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.697 5.322 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.299 6.575 -4.317 1.00 0.00 H new ATOM 0 HD1 PHE B 53 5.342 5.790 -7.969 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.797 8.341 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE B 53 3.733 6.768 -9.583 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.187 9.321 -6.492 1.00 0.00 H new ATOM 0 HZ PHE B 53 2.155 8.534 -8.845 1.00 0.00 H new ATOM 1514 N GLN B 54 6.824 8.982 -4.115 1.00 0.00 N ATOM 1515 CA GLN B 54 6.735 10.410 -3.829 1.00 0.00 C ATOM 1516 C GLN B 54 8.006 11.138 -4.263 1.00 0.00 C ATOM 1517 O GLN B 54 7.945 12.247 -4.793 1.00 0.00 O ATOM 1518 CB GLN B 54 6.530 10.632 -2.327 1.00 0.00 C ATOM 1519 CG GLN B 54 5.137 10.152 -1.918 1.00 0.00 C ATOM 1520 CD GLN B 54 4.935 10.361 -0.421 1.00 0.00 C ATOM 1521 OE1 GLN B 54 5.730 9.881 0.387 1.00 0.00 O ATOM 1522 NE2 GLN B 54 3.912 11.054 -0.001 1.00 0.00 N ATOM 0 H GLN B 54 6.776 8.380 -3.293 1.00 0.00 H new ATOM 0 HA GLN B 54 5.888 10.809 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.291 10.092 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN B 54 6.645 11.689 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN B 54 4.376 10.698 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.019 9.097 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN B 54 3.255 11.451 -0.672 1.00 0.00 H new ATOM 0 HE22 GLN B 54 3.770 11.199 0.999 1.00 0.00 H new ATOM 1531 N LYS B 55 9.157 10.516 -4.024 1.00 0.00 N ATOM 1532 CA LYS B 55 10.432 11.131 -4.384 1.00 0.00 C ATOM 1533 C LYS B 55 10.525 11.353 -5.891 1.00 0.00 C ATOM 1534 O LYS B 55 10.993 12.396 -6.346 1.00 0.00 O ATOM 1535 CB LYS B 55 11.588 10.230 -3.935 1.00 0.00 C ATOM 1536 CG LYS B 55 11.710 10.264 -2.406 1.00 0.00 C ATOM 1537 CD LYS B 55 12.600 11.437 -1.968 1.00 0.00 C ATOM 1538 CE LYS B 55 14.078 11.033 -2.026 1.00 0.00 C ATOM 1539 NZ LYS B 55 14.915 12.152 -1.508 1.00 0.00 N ATOM 0 H LYS B 55 9.234 9.597 -3.588 1.00 0.00 H new ATOM 0 HA LYS B 55 10.497 12.097 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.417 9.208 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.520 10.564 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS B 55 10.721 10.362 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS B 55 12.131 9.325 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.425 12.297 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS B 55 12.339 11.742 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.245 10.134 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.362 10.795 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 15.918 11.881 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.763 12.999 -2.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.649 12.358 -0.524 1.00 0.00 H new