USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 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 -170:sc= -0.119 (180deg=-0.166) USER MOD Set 1.2: A 124 MET CE :methyl -113:sc= -0.0495 (180deg=-0.0968) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -2.57! X(o=-4.6!,f=-4.2) USER MOD Set 2.2: A 111 ASN : amide:sc= -2.06! C(o=-4.6!,f=-4.2!) USER MOD Single : A 81 SER OG : rot 29:sc= 0.0692 USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.0336 (180deg=-0.463) USER MOD Single : A 97 ASN : amide:sc= -1.65! C(o=-1.7!,f=-15!) 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 110 THR OG1 : rot -70:sc= 0.887 USER MOD Single : A 115 LYS NZ :NH3+ 133:sc= 0.66 (180deg=-0.296) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -1.98! C(o=-2!,f=-8.5!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.481 USER MOD Single : A 143 GLN : amide:sc=-0.00744 K(o=-0.0074,f=-1.9!) USER MOD Single : A 144 MET CE :methyl 153:sc= -0.556 (180deg=-2.69) USER MOD Single : A 145 MET CE :methyl -138:sc= -0.286 (180deg=-2.59!) USER MOD Single : B 39 THR OG1 : rot 180:sc=-0.00324 USER MOD Single : B 47 GLN : amide:sc= -2.99! C(o=-3!,f=-15!) USER MOD Single : B 48 SER OG : rot 101:sc= 1.24 USER MOD Single : B 49 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.39) USER MOD Single : B 52 LYS NZ :NH3+ 151:sc= -0.0408 (180deg=-0.566) USER MOD Single : B 54 GLN :FLIP amide:sc= 0.84 F(o=-0.54,f=0.84) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 5.574 -7.992 -11.856 1.00 0.00 N ATOM 81 CA SER A 81 5.699 -7.832 -10.411 1.00 0.00 C ATOM 82 C SER A 81 4.417 -7.260 -9.819 1.00 0.00 C ATOM 83 O SER A 81 4.283 -7.150 -8.602 1.00 0.00 O ATOM 84 CB SER A 81 6.874 -6.914 -10.076 1.00 0.00 C ATOM 85 OG SER A 81 8.081 -7.507 -10.536 1.00 0.00 O ATOM 0 HA SER A 81 5.879 -8.816 -9.977 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.733 -5.939 -10.543 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.925 -6.747 -9.000 1.00 0.00 H new ATOM 0 HG SER A 81 7.891 -8.076 -11.311 1.00 0.00 H new ATOM 91 N GLU A 82 3.474 -6.895 -10.679 1.00 0.00 N ATOM 92 CA GLU A 82 2.217 -6.341 -10.198 1.00 0.00 C ATOM 93 C GLU A 82 1.534 -7.337 -9.276 1.00 0.00 C ATOM 94 O GLU A 82 0.900 -6.959 -8.293 1.00 0.00 O ATOM 95 CB GLU A 82 1.301 -6.019 -11.377 1.00 0.00 C ATOM 96 CG GLU A 82 1.003 -7.302 -12.157 1.00 0.00 C ATOM 97 CD GLU A 82 -0.129 -8.089 -11.496 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.937 -7.481 -10.814 1.00 0.00 O ATOM 99 OE2 GLU A 82 -0.168 -9.294 -11.682 1.00 0.00 O ATOM 0 H GLU A 82 3.553 -6.971 -11.693 1.00 0.00 H new ATOM 0 HA GLU A 82 2.423 -5.423 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.372 -5.574 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.775 -5.286 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.729 -7.054 -13.182 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.900 -7.919 -12.207 1.00 0.00 H new ATOM 106 N GLU A 83 1.688 -8.609 -9.599 1.00 0.00 N ATOM 107 CA GLU A 83 1.100 -9.671 -8.790 1.00 0.00 C ATOM 108 C GLU A 83 1.787 -9.751 -7.434 1.00 0.00 C ATOM 109 O GLU A 83 1.145 -10.015 -6.417 1.00 0.00 O ATOM 110 CB GLU A 83 1.225 -11.014 -9.509 1.00 0.00 C ATOM 111 CG GLU A 83 2.534 -11.050 -10.298 1.00 0.00 C ATOM 112 CD GLU A 83 3.009 -12.492 -10.455 1.00 0.00 C ATOM 113 OE1 GLU A 83 3.270 -13.122 -9.443 1.00 0.00 O ATOM 114 OE2 GLU A 83 3.105 -12.944 -11.583 1.00 0.00 O ATOM 0 H GLU A 83 2.212 -8.934 -10.411 1.00 0.00 H new ATOM 0 HA GLU A 83 0.045 -9.442 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.201 -11.829 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.379 -11.159 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.390 -10.597 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.294 -10.462 -9.784 1.00 0.00 H new ATOM 121 N GLU A 84 3.095 -9.513 -7.420 1.00 0.00 N ATOM 122 CA GLU A 84 3.848 -9.553 -6.176 1.00 0.00 C ATOM 123 C GLU A 84 3.336 -8.477 -5.223 1.00 0.00 C ATOM 124 O GLU A 84 3.182 -8.711 -4.023 1.00 0.00 O ATOM 125 CB GLU A 84 5.340 -9.344 -6.460 1.00 0.00 C ATOM 126 CG GLU A 84 5.907 -10.582 -7.156 1.00 0.00 C ATOM 127 CD GLU A 84 7.336 -10.311 -7.616 1.00 0.00 C ATOM 128 OE1 GLU A 84 7.726 -9.156 -7.621 1.00 0.00 O ATOM 129 OE2 GLU A 84 8.018 -11.264 -7.958 1.00 0.00 O ATOM 0 H GLU A 84 3.649 -9.293 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 84 3.713 -10.529 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.481 -8.464 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.876 -9.160 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.890 -11.433 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.285 -10.846 -8.011 1.00 0.00 H new ATOM 136 N ILE A 85 3.060 -7.300 -5.774 1.00 0.00 N ATOM 137 CA ILE A 85 2.549 -6.191 -4.979 1.00 0.00 C ATOM 138 C ILE A 85 1.169 -6.528 -4.422 1.00 0.00 C ATOM 139 O ILE A 85 0.875 -6.246 -3.261 1.00 0.00 O ATOM 140 CB ILE A 85 2.462 -4.925 -5.838 1.00 0.00 C ATOM 141 CG1 ILE A 85 3.871 -4.484 -6.270 1.00 0.00 C ATOM 142 CG2 ILE A 85 1.782 -3.805 -5.048 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.757 -4.171 -5.052 1.00 0.00 C ATOM 0 H ILE A 85 3.181 -7.090 -6.765 1.00 0.00 H new ATOM 0 HA ILE A 85 3.233 -6.016 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 85 1.871 -5.140 -6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.334 -5.270 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.799 -3.602 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.724 -2.908 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.777 -4.117 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.361 -3.590 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.746 -3.862 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.305 -3.367 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.848 -5.061 -4.430 1.00 0.00 H new ATOM 155 N ARG A 86 0.329 -7.132 -5.260 1.00 0.00 N ATOM 156 CA ARG A 86 -1.025 -7.501 -4.852 1.00 0.00 C ATOM 157 C ARG A 86 -1.000 -8.466 -3.673 1.00 0.00 C ATOM 158 O ARG A 86 -1.858 -8.398 -2.795 1.00 0.00 O ATOM 159 CB ARG A 86 -1.777 -8.136 -6.023 1.00 0.00 C ATOM 160 CG ARG A 86 -2.107 -7.062 -7.062 1.00 0.00 C ATOM 161 CD ARG A 86 -2.771 -7.710 -8.278 1.00 0.00 C ATOM 162 NE ARG A 86 -3.127 -6.693 -9.261 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.683 -7.025 -10.422 1.00 0.00 C ATOM 164 NH1 ARG A 86 -3.917 -8.278 -10.699 1.00 0.00 N ATOM 165 NH2 ARG A 86 -3.994 -6.096 -11.285 1.00 0.00 N ATOM 0 H ARG A 86 0.561 -7.376 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.540 -6.592 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.170 -8.920 -6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.694 -8.607 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.771 -6.314 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.197 -6.543 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.094 -8.438 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.663 -8.254 -7.967 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.946 -5.711 -9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.673 -9.003 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.344 -8.532 -11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.810 -5.116 -11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.421 -6.350 -12.176 1.00 0.00 H new ATOM 179 N GLU A 87 -0.020 -9.360 -3.650 1.00 0.00 N ATOM 180 CA GLU A 87 0.077 -10.320 -2.559 1.00 0.00 C ATOM 181 C GLU A 87 0.132 -9.572 -1.234 1.00 0.00 C ATOM 182 O GLU A 87 -0.495 -9.973 -0.254 1.00 0.00 O ATOM 183 CB GLU A 87 1.332 -11.180 -2.725 1.00 0.00 C ATOM 184 CG GLU A 87 1.395 -12.224 -1.606 1.00 0.00 C ATOM 185 CD GLU A 87 2.606 -13.128 -1.807 1.00 0.00 C ATOM 186 OE1 GLU A 87 3.324 -12.920 -2.771 1.00 0.00 O ATOM 187 OE2 GLU A 87 2.799 -14.016 -0.992 1.00 0.00 O ATOM 0 H GLU A 87 0.707 -9.441 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.797 -10.971 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.320 -11.674 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.222 -10.551 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.457 -11.728 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.482 -12.820 -1.601 1.00 0.00 H new ATOM 194 N ALA A 88 0.869 -8.472 -1.222 1.00 0.00 N ATOM 195 CA ALA A 88 0.986 -7.652 -0.025 1.00 0.00 C ATOM 196 C ALA A 88 -0.380 -7.109 0.389 1.00 0.00 C ATOM 197 O ALA A 88 -0.685 -7.025 1.578 1.00 0.00 O ATOM 198 CB ALA A 88 1.951 -6.491 -0.275 1.00 0.00 C ATOM 0 H ALA A 88 1.394 -8.127 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 88 1.375 -8.274 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.031 -5.884 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.933 -6.884 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.577 -5.877 -1.094 1.00 0.00 H new ATOM 204 N PHE A 89 -1.211 -6.764 -0.596 1.00 0.00 N ATOM 205 CA PHE A 89 -2.549 -6.262 -0.297 1.00 0.00 C ATOM 206 C PHE A 89 -3.469 -7.406 0.120 1.00 0.00 C ATOM 207 O PHE A 89 -4.262 -7.270 1.052 1.00 0.00 O ATOM 208 CB PHE A 89 -3.121 -5.522 -1.507 1.00 0.00 C ATOM 209 CG PHE A 89 -2.428 -4.187 -1.623 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.887 -3.095 -0.879 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.317 -4.045 -2.462 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.234 -1.861 -0.973 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.664 -2.810 -2.559 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.123 -1.719 -1.812 1.00 0.00 C ATOM 0 H PHE A 89 -0.986 -6.822 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.479 -5.561 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.971 -6.107 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.196 -5.382 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.745 -3.204 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.963 -4.889 -3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.587 -1.018 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.192 -2.700 -3.209 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.619 -0.766 -1.883 1.00 0.00 H new ATOM 224 N ARG A 90 -3.376 -8.523 -0.597 1.00 0.00 N ATOM 225 CA ARG A 90 -4.231 -9.670 -0.304 1.00 0.00 C ATOM 226 C ARG A 90 -4.219 -9.977 1.188 1.00 0.00 C ATOM 227 O ARG A 90 -5.171 -10.548 1.718 1.00 0.00 O ATOM 228 CB ARG A 90 -3.784 -10.903 -1.095 1.00 0.00 C ATOM 229 CG ARG A 90 -4.166 -10.729 -2.569 1.00 0.00 C ATOM 230 CD ARG A 90 -3.745 -11.969 -3.362 1.00 0.00 C ATOM 231 NE ARG A 90 -4.107 -11.814 -4.766 1.00 0.00 N ATOM 232 CZ ARG A 90 -3.849 -12.770 -5.652 1.00 0.00 C ATOM 233 NH1 ARG A 90 -3.261 -13.871 -5.271 1.00 0.00 N ATOM 234 NH2 ARG A 90 -4.182 -12.608 -6.903 1.00 0.00 N ATOM 0 H ARG A 90 -2.728 -8.658 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.247 -9.416 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.707 -11.038 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.254 -11.799 -0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.241 -10.575 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.681 -9.842 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.669 -12.121 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.228 -12.855 -2.950 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.566 -10.957 -5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.000 -13.998 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.063 -14.605 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.641 -11.747 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.984 -13.342 -7.583 1.00 0.00 H new ATOM 248 N VAL A 91 -3.156 -9.571 1.870 1.00 0.00 N ATOM 249 CA VAL A 91 -3.056 -9.786 3.308 1.00 0.00 C ATOM 250 C VAL A 91 -4.173 -9.043 4.038 1.00 0.00 C ATOM 251 O VAL A 91 -4.742 -9.554 5.003 1.00 0.00 O ATOM 252 CB VAL A 91 -1.696 -9.303 3.822 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.703 -9.297 5.356 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.604 -10.253 3.325 1.00 0.00 C ATOM 0 H VAL A 91 -2.356 -9.094 1.454 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.155 -10.854 3.503 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.503 -8.295 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.736 -8.954 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.485 -8.628 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.893 -10.306 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.366 -9.914 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.799 -11.259 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.600 -10.264 2.235 1.00 0.00 H new ATOM 264 N PHE A 92 -4.479 -7.832 3.575 1.00 0.00 N ATOM 265 CA PHE A 92 -5.527 -7.029 4.201 1.00 0.00 C ATOM 266 C PHE A 92 -6.894 -7.351 3.597 1.00 0.00 C ATOM 267 O PHE A 92 -7.923 -7.200 4.256 1.00 0.00 O ATOM 268 CB PHE A 92 -5.225 -5.542 4.009 1.00 0.00 C ATOM 269 CG PHE A 92 -3.788 -5.273 4.389 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.341 -5.540 5.687 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.899 -4.770 3.435 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.005 -5.309 6.029 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.565 -4.536 3.779 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.117 -4.807 5.073 1.00 0.00 C ATOM 0 H PHE A 92 -4.022 -7.390 2.778 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.550 -7.267 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.399 -5.254 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.895 -4.940 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.028 -5.925 6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.243 -4.562 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.659 -5.518 7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.879 -4.145 3.042 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.085 -4.629 5.336 1.00 0.00 H new ATOM 284 N ASP A 93 -6.899 -7.809 2.347 1.00 0.00 N ATOM 285 CA ASP A 93 -8.152 -8.162 1.683 1.00 0.00 C ATOM 286 C ASP A 93 -8.489 -9.621 1.969 1.00 0.00 C ATOM 287 O ASP A 93 -8.394 -10.471 1.084 1.00 0.00 O ATOM 288 CB ASP A 93 -8.035 -7.957 0.171 1.00 0.00 C ATOM 289 CG ASP A 93 -9.416 -8.023 -0.473 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.393 -7.941 0.254 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.477 -8.156 -1.683 1.00 0.00 O ATOM 0 H ASP A 93 -6.062 -7.943 1.780 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.943 -7.517 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.573 -6.992 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.387 -8.721 -0.259 1.00 0.00 H new ATOM 296 N LYS A 94 -8.879 -9.908 3.206 1.00 0.00 N ATOM 297 CA LYS A 94 -9.221 -11.269 3.599 1.00 0.00 C ATOM 298 C LYS A 94 -10.532 -11.722 2.977 1.00 0.00 C ATOM 299 O LYS A 94 -10.805 -12.918 2.881 1.00 0.00 O ATOM 300 CB LYS A 94 -9.327 -11.347 5.119 1.00 0.00 C ATOM 301 CG LYS A 94 -10.487 -10.477 5.615 1.00 0.00 C ATOM 302 CD LYS A 94 -10.527 -10.511 7.144 1.00 0.00 C ATOM 303 CE LYS A 94 -11.737 -9.717 7.641 1.00 0.00 C ATOM 304 NZ LYS A 94 -11.603 -8.294 7.221 1.00 0.00 N ATOM 0 H LYS A 94 -8.966 -9.218 3.952 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.432 -11.930 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.481 -12.381 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.394 -11.015 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.363 -9.452 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.430 -10.841 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.586 -11.542 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.609 -10.088 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.656 -10.142 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.807 -9.782 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.249 -7.704 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.624 -7.978 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.842 -8.206 6.213 1.00 0.00 H new ATOM 318 N ASP A 95 -11.339 -10.763 2.557 1.00 0.00 N ATOM 319 CA ASP A 95 -12.620 -11.084 1.940 1.00 0.00 C ATOM 320 C ASP A 95 -12.426 -11.477 0.482 1.00 0.00 C ATOM 321 O ASP A 95 -13.226 -12.220 -0.084 1.00 0.00 O ATOM 322 CB ASP A 95 -13.558 -9.878 2.025 1.00 0.00 C ATOM 323 CG ASP A 95 -13.980 -9.647 3.473 1.00 0.00 C ATOM 324 OD1 ASP A 95 -13.773 -10.538 4.280 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.504 -8.582 3.752 1.00 0.00 O ATOM 0 H ASP A 95 -11.136 -9.766 2.629 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.061 -11.924 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.059 -8.990 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.438 -10.046 1.404 1.00 0.00 H new ATOM 330 N GLY A 96 -11.356 -10.969 -0.122 1.00 0.00 N ATOM 331 CA GLY A 96 -11.070 -11.272 -1.518 1.00 0.00 C ATOM 332 C GLY A 96 -12.098 -10.613 -2.433 1.00 0.00 C ATOM 333 O GLY A 96 -12.389 -11.116 -3.518 1.00 0.00 O ATOM 0 H GLY A 96 -10.680 -10.352 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.070 -10.922 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.079 -12.351 -1.670 1.00 0.00 H new ATOM 337 N ASN A 97 -12.640 -9.480 -1.992 1.00 0.00 N ATOM 338 CA ASN A 97 -13.627 -8.760 -2.789 1.00 0.00 C ATOM 339 C ASN A 97 -12.956 -7.671 -3.622 1.00 0.00 C ATOM 340 O ASN A 97 -13.618 -6.965 -4.382 1.00 0.00 O ATOM 341 CB ASN A 97 -14.686 -8.138 -1.876 1.00 0.00 C ATOM 342 CG ASN A 97 -14.052 -7.079 -0.982 1.00 0.00 C ATOM 343 OD1 ASN A 97 -12.892 -6.718 -1.174 1.00 0.00 O ATOM 344 ND2 ASN A 97 -14.749 -6.557 -0.009 1.00 0.00 N ATOM 0 H ASN A 97 -12.415 -9.045 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.107 -9.468 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.478 -7.691 -2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.149 -8.912 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.332 -5.848 0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.711 -6.858 0.148 1.00 0.00 H new ATOM 351 N GLY A 98 -11.639 -7.553 -3.484 1.00 0.00 N ATOM 352 CA GLY A 98 -10.888 -6.552 -4.236 1.00 0.00 C ATOM 353 C GLY A 98 -10.727 -5.251 -3.449 1.00 0.00 C ATOM 354 O GLY A 98 -10.262 -4.247 -3.990 1.00 0.00 O ATOM 0 H GLY A 98 -11.073 -8.132 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.904 -6.949 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.398 -6.346 -5.177 1.00 0.00 H new ATOM 358 N TYR A 99 -11.116 -5.272 -2.176 1.00 0.00 N ATOM 359 CA TYR A 99 -11.005 -4.075 -1.341 1.00 0.00 C ATOM 360 C TYR A 99 -10.454 -4.407 0.041 1.00 0.00 C ATOM 361 O TYR A 99 -10.560 -5.539 0.512 1.00 0.00 O ATOM 362 CB TYR A 99 -12.368 -3.407 -1.177 1.00 0.00 C ATOM 363 CG TYR A 99 -12.971 -3.115 -2.527 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.468 -4.165 -3.301 1.00 0.00 C ATOM 365 CD2 TYR A 99 -13.024 -1.802 -3.007 1.00 0.00 C ATOM 366 CE1 TYR A 99 -14.022 -3.909 -4.559 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.579 -1.542 -4.268 1.00 0.00 C ATOM 368 CZ TYR A 99 -14.078 -2.596 -5.044 1.00 0.00 C ATOM 369 OH TYR A 99 -14.625 -2.342 -6.286 1.00 0.00 O ATOM 0 H TYR A 99 -11.505 -6.089 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.316 -3.396 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.033 -4.056 -0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.262 -2.482 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.425 -5.177 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.638 -0.991 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.406 -4.723 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.622 -0.529 -4.641 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.587 -1.380 -6.470 1.00 0.00 H new ATOM 379 N ILE A 100 -9.897 -3.391 0.701 1.00 0.00 N ATOM 380 CA ILE A 100 -9.364 -3.552 2.048 1.00 0.00 C ATOM 381 C ILE A 100 -9.909 -2.418 2.910 1.00 0.00 C ATOM 382 O ILE A 100 -10.114 -1.312 2.415 1.00 0.00 O ATOM 383 CB ILE A 100 -7.822 -3.516 2.041 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.308 -2.107 2.362 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.310 -3.903 0.655 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.809 -2.037 2.070 1.00 0.00 C ATOM 0 H ILE A 100 -9.805 -2.449 0.322 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.669 -4.519 2.449 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.463 -4.215 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.841 -1.368 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.498 -1.868 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.220 -3.878 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.651 -4.909 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.693 -3.199 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.440 -1.037 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.284 -2.766 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.633 -2.258 1.017 1.00 0.00 H new ATOM 398 N SER A 101 -10.150 -2.677 4.189 1.00 0.00 N ATOM 399 CA SER A 101 -10.676 -1.629 5.053 1.00 0.00 C ATOM 400 C SER A 101 -9.718 -0.441 5.082 1.00 0.00 C ATOM 401 O SER A 101 -8.522 -0.603 5.294 1.00 0.00 O ATOM 402 CB SER A 101 -10.867 -2.167 6.471 1.00 0.00 C ATOM 403 OG SER A 101 -11.288 -1.110 7.322 1.00 0.00 O ATOM 0 H SER A 101 -9.995 -3.578 4.641 1.00 0.00 H new ATOM 0 HA SER A 101 -11.638 -1.302 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.607 -2.967 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.934 -2.595 6.838 1.00 0.00 H new ATOM 0 HG SER A 101 -11.413 -1.452 8.232 1.00 0.00 H new ATOM 409 N ALA A 102 -10.253 0.753 4.866 1.00 0.00 N ATOM 410 CA ALA A 102 -9.432 1.958 4.871 1.00 0.00 C ATOM 411 C ALA A 102 -8.824 2.200 6.254 1.00 0.00 C ATOM 412 O ALA A 102 -7.687 2.655 6.374 1.00 0.00 O ATOM 413 CB ALA A 102 -10.270 3.168 4.449 1.00 0.00 C ATOM 0 H ALA A 102 -11.244 0.914 4.686 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.619 1.819 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.647 4.062 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.662 3.007 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.099 3.297 5.145 1.00 0.00 H new ATOM 419 N ALA A 103 -9.607 1.924 7.294 1.00 0.00 N ATOM 420 CA ALA A 103 -9.156 2.145 8.668 1.00 0.00 C ATOM 421 C ALA A 103 -7.912 1.324 9.009 1.00 0.00 C ATOM 422 O ALA A 103 -7.004 1.821 9.673 1.00 0.00 O ATOM 423 CB ALA A 103 -10.276 1.786 9.647 1.00 0.00 C ATOM 0 H ALA A 103 -10.552 1.549 7.214 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.897 3.200 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.934 1.953 10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.146 2.412 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.547 0.738 9.522 1.00 0.00 H new ATOM 429 N GLU A 104 -7.871 0.068 8.573 1.00 0.00 N ATOM 430 CA GLU A 104 -6.724 -0.783 8.875 1.00 0.00 C ATOM 431 C GLU A 104 -5.490 -0.303 8.122 1.00 0.00 C ATOM 432 O GLU A 104 -4.364 -0.449 8.597 1.00 0.00 O ATOM 433 CB GLU A 104 -7.033 -2.239 8.507 1.00 0.00 C ATOM 434 CG GLU A 104 -6.587 -2.542 7.074 1.00 0.00 C ATOM 435 CD GLU A 104 -7.237 -3.833 6.593 1.00 0.00 C ATOM 436 OE1 GLU A 104 -7.200 -4.804 7.331 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.766 -3.833 5.492 1.00 0.00 O ATOM 0 H GLU A 104 -8.604 -0.377 8.020 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.523 -0.724 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.526 -2.910 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.102 -2.426 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.863 -1.718 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.502 -2.633 7.033 1.00 0.00 H new ATOM 444 N LEU A 105 -5.709 0.273 6.946 1.00 0.00 N ATOM 445 CA LEU A 105 -4.602 0.771 6.141 1.00 0.00 C ATOM 446 C LEU A 105 -3.851 1.861 6.896 1.00 0.00 C ATOM 447 O LEU A 105 -2.625 1.829 6.990 1.00 0.00 O ATOM 448 CB LEU A 105 -5.123 1.327 4.814 1.00 0.00 C ATOM 449 CG LEU A 105 -3.965 1.933 4.018 1.00 0.00 C ATOM 450 CD1 LEU A 105 -4.070 1.498 2.555 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.034 3.460 4.099 1.00 0.00 C ATOM 0 H LEU A 105 -6.632 0.406 6.533 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.921 -0.055 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.597 0.533 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.885 2.084 5.000 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.019 1.588 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.246 1.929 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.023 0.411 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.017 1.844 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.209 3.892 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.980 3.804 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.961 3.773 5.141 1.00 0.00 H new ATOM 463 N ARG A 106 -4.593 2.829 7.428 1.00 0.00 N ATOM 464 CA ARG A 106 -3.971 3.920 8.165 1.00 0.00 C ATOM 465 C ARG A 106 -3.142 3.371 9.321 1.00 0.00 C ATOM 466 O ARG A 106 -1.970 3.710 9.465 1.00 0.00 O ATOM 467 CB ARG A 106 -5.053 4.889 8.677 1.00 0.00 C ATOM 468 CG ARG A 106 -4.662 5.534 10.024 1.00 0.00 C ATOM 469 CD ARG A 106 -3.265 6.166 9.969 1.00 0.00 C ATOM 470 NE ARG A 106 -3.336 7.565 10.377 1.00 0.00 N ATOM 471 CZ ARG A 106 -3.314 7.912 11.660 1.00 0.00 C ATOM 472 NH1 ARG A 106 -3.219 6.993 12.583 1.00 0.00 N ATOM 473 NH2 ARG A 106 -3.384 9.171 11.995 1.00 0.00 N ATOM 0 H ARG A 106 -5.610 2.879 7.363 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.303 4.467 7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.220 5.671 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.995 4.353 8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.395 6.296 10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.689 4.779 10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.584 5.622 10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.863 6.093 8.959 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.404 8.291 9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.162 6.009 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.202 7.259 13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.456 9.888 11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.367 9.439 12.979 1.00 0.00 H new ATOM 487 N HIS A 107 -3.742 2.509 10.133 1.00 0.00 N ATOM 488 CA HIS A 107 -3.030 1.915 11.259 1.00 0.00 C ATOM 489 C HIS A 107 -1.813 1.139 10.769 1.00 0.00 C ATOM 490 O HIS A 107 -0.714 1.268 11.308 1.00 0.00 O ATOM 491 CB HIS A 107 -3.977 0.976 12.011 1.00 0.00 C ATOM 492 CG HIS A 107 -3.221 0.216 13.064 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.714 0.828 14.199 1.00 0.00 N ATOM 494 CD2 HIS A 107 -2.894 -1.114 13.174 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.114 -0.122 14.938 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.194 -1.324 14.359 1.00 0.00 N ATOM 0 H HIS A 107 -4.711 2.207 10.035 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.689 2.707 11.926 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.781 1.550 12.472 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.442 0.280 11.313 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -2.783 1.819 14.432 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.142 -1.879 12.453 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.627 0.064 15.884 1.00 0.00 H new ATOM 505 N VAL A 108 -2.029 0.335 9.740 1.00 0.00 N ATOM 506 CA VAL A 108 -0.970 -0.475 9.154 1.00 0.00 C ATOM 507 C VAL A 108 0.138 0.399 8.568 1.00 0.00 C ATOM 508 O VAL A 108 1.323 0.079 8.677 1.00 0.00 O ATOM 509 CB VAL A 108 -1.563 -1.350 8.051 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.440 -2.036 7.275 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.473 -2.411 8.676 1.00 0.00 C ATOM 0 H VAL A 108 -2.937 0.225 9.289 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.535 -1.094 9.938 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.142 -0.727 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.868 -2.659 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.207 -1.281 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.144 -2.658 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.897 -3.036 7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.893 -3.031 9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.278 -1.922 9.224 1.00 0.00 H new ATOM 521 N MET A 109 -0.261 1.497 7.941 1.00 0.00 N ATOM 522 CA MET A 109 0.696 2.415 7.329 1.00 0.00 C ATOM 523 C MET A 109 1.479 3.197 8.376 1.00 0.00 C ATOM 524 O MET A 109 2.615 3.594 8.130 1.00 0.00 O ATOM 525 CB MET A 109 -0.025 3.397 6.402 1.00 0.00 C ATOM 526 CG MET A 109 -0.039 2.846 4.975 1.00 0.00 C ATOM 527 SD MET A 109 -0.458 1.083 5.002 1.00 0.00 S ATOM 528 CE MET A 109 -0.313 0.790 3.223 1.00 0.00 C ATOM 0 H MET A 109 -1.237 1.775 7.842 1.00 0.00 H new ATOM 0 HA MET A 109 1.398 1.811 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.045 3.558 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.475 4.365 6.423 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.764 3.392 4.372 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.936 2.990 4.510 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.702 -0.200 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.884 1.545 2.682 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.735 0.848 2.929 1.00 0.00 H new ATOM 538 N THR A 110 0.865 3.442 9.531 1.00 0.00 N ATOM 539 CA THR A 110 1.528 4.215 10.578 1.00 0.00 C ATOM 540 C THR A 110 2.019 3.333 11.727 1.00 0.00 C ATOM 541 O THR A 110 2.823 3.779 12.547 1.00 0.00 O ATOM 542 CB THR A 110 0.558 5.256 11.133 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.548 4.600 11.736 1.00 0.00 O ATOM 544 CG2 THR A 110 0.065 6.145 9.996 1.00 0.00 C ATOM 0 H THR A 110 -0.075 3.123 9.764 1.00 0.00 H new ATOM 0 HA THR A 110 2.397 4.695 10.128 1.00 0.00 H new ATOM 0 HB THR A 110 1.067 5.867 11.879 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.100 4.184 11.041 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.628 6.889 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.914 6.649 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.444 5.534 9.251 1.00 0.00 H new ATOM 552 N ASN A 111 1.526 2.098 11.801 1.00 0.00 N ATOM 553 CA ASN A 111 1.925 1.196 12.884 1.00 0.00 C ATOM 554 C ASN A 111 2.880 0.101 12.405 1.00 0.00 C ATOM 555 O ASN A 111 3.661 -0.429 13.196 1.00 0.00 O ATOM 556 CB ASN A 111 0.684 0.546 13.498 1.00 0.00 C ATOM 557 CG ASN A 111 1.016 -0.011 14.878 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.806 0.581 15.612 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.457 -1.121 15.276 1.00 0.00 N ATOM 0 H ASN A 111 0.861 1.702 11.137 1.00 0.00 H new ATOM 0 HA ASN A 111 2.450 1.796 13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.119 1.278 13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.324 -0.254 12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.675 -1.500 16.198 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.198 -1.610 14.665 1.00 0.00 H new ATOM 566 N LEU A 112 2.801 -0.247 11.124 1.00 0.00 N ATOM 567 CA LEU A 112 3.656 -1.300 10.573 1.00 0.00 C ATOM 568 C LEU A 112 4.504 -0.788 9.416 1.00 0.00 C ATOM 569 O LEU A 112 4.445 0.384 9.048 1.00 0.00 O ATOM 570 CB LEU A 112 2.798 -2.459 10.057 1.00 0.00 C ATOM 571 CG LEU A 112 1.897 -2.994 11.171 1.00 0.00 C ATOM 572 CD1 LEU A 112 1.035 -4.132 10.615 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.754 -3.524 12.325 1.00 0.00 C ATOM 0 H LEU A 112 2.162 0.178 10.452 1.00 0.00 H new ATOM 0 HA LEU A 112 4.312 -1.633 11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.189 -2.123 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.440 -3.257 9.685 1.00 0.00 H new ATOM 0 HG LEU A 112 1.260 -2.190 11.539 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.390 -4.519 11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.422 -3.757 9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.680 -4.931 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.106 -3.903 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.394 -4.328 11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.372 -2.718 12.719 1.00 0.00 H new ATOM 585 N GLY A 113 5.280 -1.703 8.843 1.00 0.00 N ATOM 586 CA GLY A 113 6.137 -1.387 7.707 1.00 0.00 C ATOM 587 C GLY A 113 7.185 -0.334 8.046 1.00 0.00 C ATOM 588 O GLY A 113 7.984 -0.505 8.967 1.00 0.00 O ATOM 0 H GLY A 113 5.332 -2.674 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.635 -2.295 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.523 -1.031 6.880 1.00 0.00 H new ATOM 592 N GLU A 114 7.180 0.748 7.275 1.00 0.00 N ATOM 593 CA GLU A 114 8.140 1.829 7.472 1.00 0.00 C ATOM 594 C GLU A 114 7.540 2.954 8.300 1.00 0.00 C ATOM 595 O GLU A 114 8.110 4.039 8.395 1.00 0.00 O ATOM 596 CB GLU A 114 8.606 2.367 6.122 1.00 0.00 C ATOM 597 CG GLU A 114 9.268 1.239 5.332 1.00 0.00 C ATOM 598 CD GLU A 114 10.576 0.832 6.001 1.00 0.00 C ATOM 599 OE1 GLU A 114 11.073 1.605 6.805 1.00 0.00 O ATOM 600 OE2 GLU A 114 11.062 -0.245 5.701 1.00 0.00 O ATOM 0 H GLU A 114 6.524 0.900 6.509 1.00 0.00 H new ATOM 0 HA GLU A 114 8.995 1.427 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.759 2.768 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.310 3.187 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.597 0.382 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.459 1.564 4.309 1.00 0.00 H new ATOM 607 N LYS A 115 6.398 2.677 8.902 1.00 0.00 N ATOM 608 CA LYS A 115 5.721 3.657 9.732 1.00 0.00 C ATOM 609 C LYS A 115 5.638 5.009 9.027 1.00 0.00 C ATOM 610 O LYS A 115 6.619 5.748 8.948 1.00 0.00 O ATOM 611 CB LYS A 115 6.477 3.782 11.043 1.00 0.00 C ATOM 612 CG LYS A 115 6.074 2.639 11.979 1.00 0.00 C ATOM 613 CD LYS A 115 6.859 2.748 13.287 1.00 0.00 C ATOM 614 CE LYS A 115 6.300 1.753 14.305 1.00 0.00 C ATOM 615 NZ LYS A 115 6.466 0.365 13.787 1.00 0.00 N ATOM 0 H LYS A 115 5.919 1.779 8.832 1.00 0.00 H new ATOM 0 HA LYS A 115 4.699 3.328 9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.551 3.754 10.859 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.259 4.742 11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.004 2.681 12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.272 1.679 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.915 2.545 13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.792 3.762 13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.818 1.861 15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.246 1.960 14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.862 -0.240 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.541 -0.009 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.111 0.374 12.971 1.00 0.00 H new ATOM 629 N LEU A 116 4.451 5.328 8.522 1.00 0.00 N ATOM 630 CA LEU A 116 4.242 6.593 7.827 1.00 0.00 C ATOM 631 C LEU A 116 3.745 7.656 8.803 1.00 0.00 C ATOM 632 O LEU A 116 3.155 7.334 9.835 1.00 0.00 O ATOM 633 CB LEU A 116 3.210 6.421 6.699 1.00 0.00 C ATOM 634 CG LEU A 116 3.874 5.886 5.419 1.00 0.00 C ATOM 635 CD1 LEU A 116 4.855 6.915 4.847 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.627 4.592 5.733 1.00 0.00 C ATOM 0 H LEU A 116 3.625 4.733 8.580 1.00 0.00 H new ATOM 0 HA LEU A 116 5.194 6.908 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.426 5.735 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.731 7.378 6.491 1.00 0.00 H new ATOM 0 HG LEU A 116 3.095 5.693 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.314 6.517 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.320 7.834 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.630 7.127 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.097 4.215 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.393 4.790 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.928 3.848 6.116 1.00 0.00 H new ATOM 648 N THR A 117 3.971 8.924 8.467 1.00 0.00 N ATOM 649 CA THR A 117 3.527 10.024 9.316 1.00 0.00 C ATOM 650 C THR A 117 2.136 10.479 8.888 1.00 0.00 C ATOM 651 O THR A 117 1.626 10.044 7.855 1.00 0.00 O ATOM 652 CB THR A 117 4.508 11.195 9.216 1.00 0.00 C ATOM 653 OG1 THR A 117 4.517 11.691 7.885 1.00 0.00 O ATOM 654 CG2 THR A 117 5.910 10.720 9.598 1.00 0.00 C ATOM 0 H THR A 117 4.456 9.213 7.618 1.00 0.00 H new ATOM 0 HA THR A 117 3.490 9.680 10.350 1.00 0.00 H new ATOM 0 HB THR A 117 4.199 11.989 9.896 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.143 12.442 7.820 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.609 11.554 9.527 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.900 10.341 10.620 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.222 9.926 8.920 1.00 0.00 H new ATOM 662 N ASP A 118 1.514 11.340 9.687 1.00 0.00 N ATOM 663 CA ASP A 118 0.172 11.816 9.370 1.00 0.00 C ATOM 664 C ASP A 118 0.152 12.515 8.011 1.00 0.00 C ATOM 665 O ASP A 118 -0.775 12.329 7.223 1.00 0.00 O ATOM 666 CB ASP A 118 -0.296 12.794 10.450 1.00 0.00 C ATOM 667 CG ASP A 118 -0.589 12.043 11.745 1.00 0.00 C ATOM 668 OD1 ASP A 118 -0.669 10.827 11.696 1.00 0.00 O ATOM 669 OD2 ASP A 118 -0.726 12.695 12.767 1.00 0.00 O ATOM 0 H ASP A 118 1.911 11.718 10.547 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.498 10.957 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.470 13.550 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.191 13.318 10.114 1.00 0.00 H new ATOM 674 N GLU A 119 1.177 13.316 7.743 1.00 0.00 N ATOM 675 CA GLU A 119 1.258 14.032 6.472 1.00 0.00 C ATOM 676 C GLU A 119 1.361 13.050 5.309 1.00 0.00 C ATOM 677 O GLU A 119 0.698 13.218 4.286 1.00 0.00 O ATOM 678 CB GLU A 119 2.471 14.968 6.474 1.00 0.00 C ATOM 679 CG GLU A 119 2.515 15.762 5.166 1.00 0.00 C ATOM 680 CD GLU A 119 3.674 16.754 5.199 1.00 0.00 C ATOM 681 OE1 GLU A 119 4.371 16.788 6.199 1.00 0.00 O ATOM 682 OE2 GLU A 119 3.846 17.465 4.223 1.00 0.00 O ATOM 0 H GLU A 119 1.956 13.486 8.379 1.00 0.00 H new ATOM 0 HA GLU A 119 0.350 14.623 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.414 15.650 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.388 14.390 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.631 15.082 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.574 16.293 5.021 1.00 0.00 H new ATOM 689 N GLU A 120 2.174 12.012 5.479 1.00 0.00 N ATOM 690 CA GLU A 120 2.318 11.003 4.437 1.00 0.00 C ATOM 691 C GLU A 120 1.015 10.236 4.282 1.00 0.00 C ATOM 692 O GLU A 120 0.591 9.915 3.173 1.00 0.00 O ATOM 693 CB GLU A 120 3.440 10.024 4.780 1.00 0.00 C ATOM 694 CG GLU A 120 4.805 10.716 4.685 1.00 0.00 C ATOM 695 CD GLU A 120 5.052 11.305 3.296 1.00 0.00 C ATOM 696 OE1 GLU A 120 4.905 10.582 2.328 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.383 12.477 3.225 1.00 0.00 O ATOM 0 H GLU A 120 2.735 11.849 6.315 1.00 0.00 H new ATOM 0 HA GLU A 120 2.565 11.508 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.294 9.632 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.409 9.173 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.862 11.509 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.592 10.000 4.920 1.00 0.00 H new ATOM 704 N VAL A 121 0.386 9.957 5.416 1.00 0.00 N ATOM 705 CA VAL A 121 -0.877 9.235 5.437 1.00 0.00 C ATOM 706 C VAL A 121 -1.951 10.004 4.680 1.00 0.00 C ATOM 707 O VAL A 121 -2.707 9.433 3.901 1.00 0.00 O ATOM 708 CB VAL A 121 -1.314 9.056 6.887 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.753 8.555 6.935 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.398 8.044 7.575 1.00 0.00 C ATOM 0 H VAL A 121 0.733 10.222 6.338 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.741 8.266 4.956 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.250 10.015 7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.060 8.429 7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.407 9.279 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.823 7.598 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.710 7.916 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.459 7.087 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.630 8.406 7.548 1.00 0.00 H new ATOM 720 N ASP A 122 -2.026 11.301 4.915 1.00 0.00 N ATOM 721 CA ASP A 122 -3.029 12.111 4.245 1.00 0.00 C ATOM 722 C ASP A 122 -2.865 11.991 2.735 1.00 0.00 C ATOM 723 O ASP A 122 -3.847 11.850 2.007 1.00 0.00 O ATOM 724 CB ASP A 122 -2.889 13.574 4.679 1.00 0.00 C ATOM 725 CG ASP A 122 -3.962 14.424 4.009 1.00 0.00 C ATOM 726 OD1 ASP A 122 -5.124 14.242 4.336 1.00 0.00 O ATOM 727 OD2 ASP A 122 -3.608 15.245 3.179 1.00 0.00 O ATOM 0 H ASP A 122 -1.416 11.811 5.554 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.022 11.755 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.978 13.650 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.900 13.947 4.413 1.00 0.00 H new ATOM 732 N GLU A 123 -1.621 12.019 2.270 1.00 0.00 N ATOM 733 CA GLU A 123 -1.354 11.883 0.844 1.00 0.00 C ATOM 734 C GLU A 123 -1.820 10.511 0.372 1.00 0.00 C ATOM 735 O GLU A 123 -2.384 10.364 -0.713 1.00 0.00 O ATOM 736 CB GLU A 123 0.147 12.009 0.574 1.00 0.00 C ATOM 737 CG GLU A 123 0.620 13.425 0.890 1.00 0.00 C ATOM 738 CD GLU A 123 0.031 14.411 -0.111 1.00 0.00 C ATOM 739 OE1 GLU A 123 -0.403 13.970 -1.163 1.00 0.00 O ATOM 740 OE2 GLU A 123 0.020 15.594 0.188 1.00 0.00 O ATOM 0 H GLU A 123 -0.791 12.133 2.852 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.888 12.669 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.695 11.290 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.358 11.771 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.320 13.699 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.709 13.469 0.857 1.00 0.00 H new ATOM 747 N MET A 124 -1.570 9.512 1.212 1.00 0.00 N ATOM 748 CA MET A 124 -1.948 8.137 0.912 1.00 0.00 C ATOM 749 C MET A 124 -3.468 7.996 0.850 1.00 0.00 C ATOM 750 O MET A 124 -3.997 7.306 -0.018 1.00 0.00 O ATOM 751 CB MET A 124 -1.397 7.233 2.012 1.00 0.00 C ATOM 752 CG MET A 124 0.130 7.249 1.954 1.00 0.00 C ATOM 753 SD MET A 124 0.715 5.936 0.860 1.00 0.00 S ATOM 754 CE MET A 124 0.626 4.599 2.074 1.00 0.00 C ATOM 0 H MET A 124 -1.104 9.631 2.112 1.00 0.00 H new ATOM 0 HA MET A 124 -1.538 7.853 -0.057 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.740 7.577 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.768 6.216 1.884 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.479 8.217 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.542 7.113 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.632 4.249 2.304 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.152 4.965 2.984 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.040 3.775 1.666 1.00 0.00 H new ATOM 764 N ILE A 125 -4.160 8.655 1.780 1.00 0.00 N ATOM 765 CA ILE A 125 -5.620 8.593 1.828 1.00 0.00 C ATOM 766 C ILE A 125 -6.230 9.304 0.620 1.00 0.00 C ATOM 767 O ILE A 125 -7.263 8.887 0.099 1.00 0.00 O ATOM 768 CB ILE A 125 -6.130 9.213 3.150 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.487 8.121 4.180 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.365 10.088 2.912 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.229 7.673 4.923 1.00 0.00 C ATOM 0 H ILE A 125 -3.736 9.234 2.505 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.930 7.549 1.792 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.320 9.828 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.221 8.504 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.944 7.270 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.700 10.510 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.112 10.895 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.163 9.482 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.490 6.902 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.509 7.272 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.790 8.525 5.442 1.00 0.00 H new ATOM 783 N ARG A 126 -5.582 10.375 0.182 1.00 0.00 N ATOM 784 CA ARG A 126 -6.063 11.138 -0.966 1.00 0.00 C ATOM 785 C ARG A 126 -6.112 10.253 -2.209 1.00 0.00 C ATOM 786 O ARG A 126 -6.986 10.404 -3.062 1.00 0.00 O ATOM 787 CB ARG A 126 -5.145 12.336 -1.224 1.00 0.00 C ATOM 788 CG ARG A 126 -5.740 13.208 -2.333 1.00 0.00 C ATOM 789 CD ARG A 126 -4.826 14.408 -2.590 1.00 0.00 C ATOM 790 NE ARG A 126 -3.558 13.963 -3.159 1.00 0.00 N ATOM 791 CZ ARG A 126 -2.559 14.815 -3.361 1.00 0.00 C ATOM 792 NH1 ARG A 126 -2.701 16.074 -3.047 1.00 0.00 N ATOM 793 NH2 ARG A 126 -1.435 14.393 -3.873 1.00 0.00 N ATOM 0 H ARG A 126 -4.725 10.736 0.601 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.068 11.497 -0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.027 12.920 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.152 11.991 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.855 12.624 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.734 13.550 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.313 15.106 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.647 14.944 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.437 12.981 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.579 16.404 -2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.934 16.728 -3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.324 13.409 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.668 15.047 -4.028 1.00 0.00 H new ATOM 807 N GLU A 127 -5.168 9.324 -2.291 1.00 0.00 N ATOM 808 CA GLU A 127 -5.105 8.402 -3.421 1.00 0.00 C ATOM 809 C GLU A 127 -5.788 7.076 -3.085 1.00 0.00 C ATOM 810 O GLU A 127 -5.873 6.184 -3.930 1.00 0.00 O ATOM 811 CB GLU A 127 -3.645 8.142 -3.794 1.00 0.00 C ATOM 812 CG GLU A 127 -2.975 9.457 -4.196 1.00 0.00 C ATOM 813 CD GLU A 127 -3.586 9.977 -5.493 1.00 0.00 C ATOM 814 OE1 GLU A 127 -4.185 9.184 -6.201 1.00 0.00 O ATOM 815 OE2 GLU A 127 -3.447 11.158 -5.758 1.00 0.00 O ATOM 0 H GLU A 127 -4.438 9.188 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.627 8.857 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.118 7.697 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.591 7.429 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.099 10.195 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.903 9.305 -4.324 1.00 0.00 H new ATOM 822 N ALA A 128 -6.250 6.941 -1.844 1.00 0.00 N ATOM 823 CA ALA A 128 -6.893 5.701 -1.410 1.00 0.00 C ATOM 824 C ALA A 128 -8.388 5.685 -1.735 1.00 0.00 C ATOM 825 O ALA A 128 -8.807 5.011 -2.673 1.00 0.00 O ATOM 826 CB ALA A 128 -6.696 5.518 0.094 1.00 0.00 C ATOM 0 H ALA A 128 -6.193 7.665 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.426 4.880 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.176 4.593 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.630 5.470 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.141 6.360 0.624 1.00 0.00 H new ATOM 832 N ASP A 129 -9.189 6.424 -0.961 1.00 0.00 N ATOM 833 CA ASP A 129 -10.636 6.459 -1.205 1.00 0.00 C ATOM 834 C ASP A 129 -11.401 7.135 -0.063 1.00 0.00 C ATOM 835 O ASP A 129 -11.645 8.341 -0.087 1.00 0.00 O ATOM 836 CB ASP A 129 -11.172 5.027 -1.395 1.00 0.00 C ATOM 837 CG ASP A 129 -11.374 4.733 -2.880 1.00 0.00 C ATOM 838 OD1 ASP A 129 -11.966 5.560 -3.554 1.00 0.00 O ATOM 839 OD2 ASP A 129 -10.938 3.682 -3.320 1.00 0.00 O ATOM 0 H ASP A 129 -8.871 6.994 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.795 7.046 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.473 4.309 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -12.116 4.910 -0.862 1.00 0.00 H new ATOM 844 N ILE A 130 -11.808 6.328 0.906 1.00 0.00 N ATOM 845 CA ILE A 130 -12.588 6.802 2.042 1.00 0.00 C ATOM 846 C ILE A 130 -13.598 7.853 1.607 1.00 0.00 C ATOM 847 O ILE A 130 -13.779 8.867 2.281 1.00 0.00 O ATOM 848 CB ILE A 130 -11.699 7.401 3.123 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.664 6.376 3.569 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.577 7.778 4.323 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.611 7.068 4.434 1.00 0.00 C ATOM 0 H ILE A 130 -11.608 5.328 0.928 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.108 5.935 2.448 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.188 8.281 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -11.146 5.576 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.193 5.916 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -11.955 8.209 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.325 8.507 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.075 6.886 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.868 6.338 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.123 7.852 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.090 7.508 5.309 1.00 0.00 H new ATOM 894 N GLY A 134 -15.482 3.634 3.994 1.00 0.00 N ATOM 895 CA GLY A 134 -14.519 3.073 4.936 1.00 0.00 C ATOM 896 C GLY A 134 -13.721 1.922 4.322 1.00 0.00 C ATOM 897 O GLY A 134 -13.055 1.176 5.041 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.834 3.855 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.044 2.718 5.823 1.00 0.00 H new ATOM 901 N GLN A 135 -13.777 1.789 2.996 1.00 0.00 N ATOM 902 CA GLN A 135 -13.036 0.729 2.307 1.00 0.00 C ATOM 903 C GLN A 135 -12.151 1.315 1.217 1.00 0.00 C ATOM 904 O GLN A 135 -12.443 2.375 0.661 1.00 0.00 O ATOM 905 CB GLN A 135 -13.988 -0.306 1.700 1.00 0.00 C ATOM 906 CG GLN A 135 -15.153 0.397 1.005 1.00 0.00 C ATOM 907 CD GLN A 135 -16.128 -0.638 0.456 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.775 -1.417 -0.429 1.00 0.00 O ATOM 909 NE2 GLN A 135 -17.341 -0.696 0.932 1.00 0.00 N ATOM 0 H GLN A 135 -14.322 2.395 2.382 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.408 0.231 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.451 -0.930 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.365 -0.967 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.664 1.055 1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.780 1.024 0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -17.632 -0.050 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -17.998 -1.387 0.571 1.00 0.00 H new ATOM 918 N VAL A 136 -11.054 0.623 0.940 1.00 0.00 N ATOM 919 CA VAL A 136 -10.094 1.067 -0.060 1.00 0.00 C ATOM 920 C VAL A 136 -9.783 -0.026 -1.070 1.00 0.00 C ATOM 921 O VAL A 136 -9.528 -1.173 -0.703 1.00 0.00 O ATOM 922 CB VAL A 136 -8.808 1.492 0.643 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.685 1.669 -0.381 1.00 0.00 C ATOM 924 CG2 VAL A 136 -9.058 2.813 1.366 1.00 0.00 C ATOM 0 H VAL A 136 -10.806 -0.254 1.398 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.530 1.905 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.511 0.726 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.771 1.972 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.514 0.726 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.968 2.435 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.146 3.128 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.353 3.573 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.854 2.682 2.099 1.00 0.00 H new ATOM 934 N ASN A 137 -9.778 0.346 -2.346 1.00 0.00 N ATOM 935 CA ASN A 137 -9.462 -0.604 -3.399 1.00 0.00 C ATOM 936 C ASN A 137 -7.968 -0.538 -3.717 1.00 0.00 C ATOM 937 O ASN A 137 -7.483 0.461 -4.248 1.00 0.00 O ATOM 938 CB ASN A 137 -10.276 -0.294 -4.655 1.00 0.00 C ATOM 939 CG ASN A 137 -9.855 1.049 -5.243 1.00 0.00 C ATOM 940 OD1 ASN A 137 -9.313 1.899 -4.537 1.00 0.00 O ATOM 941 ND2 ASN A 137 -10.078 1.294 -6.506 1.00 0.00 N ATOM 0 H ASN A 137 -9.987 1.290 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.715 -1.608 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -10.132 -1.083 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -11.338 -0.275 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.803 2.190 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -10.527 0.589 -7.091 1.00 0.00 H new ATOM 948 N TYR A 138 -7.234 -1.590 -3.370 1.00 0.00 N ATOM 949 CA TYR A 138 -5.793 -1.608 -3.609 1.00 0.00 C ATOM 950 C TYR A 138 -5.463 -1.488 -5.094 1.00 0.00 C ATOM 951 O TYR A 138 -4.296 -1.357 -5.464 1.00 0.00 O ATOM 952 CB TYR A 138 -5.171 -2.887 -3.043 1.00 0.00 C ATOM 953 CG TYR A 138 -5.862 -4.104 -3.612 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.482 -4.609 -4.861 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.870 -4.741 -2.879 1.00 0.00 C ATOM 956 CE1 TYR A 138 -6.111 -5.749 -5.376 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.501 -5.879 -3.394 1.00 0.00 C ATOM 958 CZ TYR A 138 -7.120 -6.384 -4.644 1.00 0.00 C ATOM 959 OH TYR A 138 -7.737 -7.508 -5.153 1.00 0.00 O ATOM 0 H TYR A 138 -7.605 -2.431 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.370 -0.743 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.108 -2.919 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.253 -2.889 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.704 -4.119 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.161 -4.353 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.817 -6.139 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.281 -6.367 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.026 -8.085 -4.415 1.00 0.00 H new ATOM 969 N GLU A 139 -6.481 -1.544 -5.943 1.00 0.00 N ATOM 970 CA GLU A 139 -6.240 -1.452 -7.379 1.00 0.00 C ATOM 971 C GLU A 139 -5.564 -0.124 -7.727 1.00 0.00 C ATOM 972 O GLU A 139 -4.564 -0.104 -8.444 1.00 0.00 O ATOM 973 CB GLU A 139 -7.561 -1.571 -8.142 1.00 0.00 C ATOM 974 CG GLU A 139 -8.081 -3.006 -8.037 1.00 0.00 C ATOM 975 CD GLU A 139 -9.475 -3.103 -8.647 1.00 0.00 C ATOM 976 OE1 GLU A 139 -10.060 -2.065 -8.909 1.00 0.00 O ATOM 977 OE2 GLU A 139 -9.938 -4.215 -8.843 1.00 0.00 O ATOM 0 H GLU A 139 -7.459 -1.650 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.580 -2.270 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.294 -0.876 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.415 -1.301 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.402 -3.686 -8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.110 -3.315 -6.992 1.00 0.00 H new ATOM 984 N GLU A 140 -6.116 0.982 -7.234 1.00 0.00 N ATOM 985 CA GLU A 140 -5.552 2.300 -7.525 1.00 0.00 C ATOM 986 C GLU A 140 -4.117 2.407 -7.016 1.00 0.00 C ATOM 987 O GLU A 140 -3.246 2.933 -7.707 1.00 0.00 O ATOM 988 CB GLU A 140 -6.412 3.391 -6.881 1.00 0.00 C ATOM 989 CG GLU A 140 -5.857 4.771 -7.244 1.00 0.00 C ATOM 990 CD GLU A 140 -6.758 5.861 -6.672 1.00 0.00 C ATOM 991 OE1 GLU A 140 -7.741 5.517 -6.036 1.00 0.00 O ATOM 992 OE2 GLU A 140 -6.452 7.024 -6.877 1.00 0.00 O ATOM 0 H GLU A 140 -6.944 0.994 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.544 2.434 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -7.443 3.303 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.423 3.267 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.846 4.880 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.792 4.873 -8.327 1.00 0.00 H new ATOM 999 N PHE A 141 -3.872 1.891 -5.818 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.525 1.930 -5.258 1.00 0.00 C ATOM 1001 C PHE A 141 -1.570 1.188 -6.181 1.00 0.00 C ATOM 1002 O PHE A 141 -0.506 1.692 -6.524 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.500 1.276 -3.873 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.653 2.325 -2.795 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.547 3.102 -2.426 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.885 2.513 -2.152 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.670 4.064 -1.418 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -4.006 3.477 -1.144 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.900 4.251 -0.777 1.00 0.00 C ATOM 0 H PHE A 141 -4.573 1.448 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.216 2.971 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.304 0.544 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.563 0.737 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.598 2.958 -2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.739 1.915 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.816 4.662 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.955 3.623 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.995 4.993 0.002 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.968 -0.005 -6.598 1.00 0.00 N ATOM 1020 CA VAL A 142 -1.141 -0.801 -7.495 1.00 0.00 C ATOM 1021 C VAL A 142 -0.947 -0.097 -8.831 1.00 0.00 C ATOM 1022 O VAL A 142 0.170 -0.040 -9.344 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.772 -2.176 -7.698 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -1.041 -2.912 -8.823 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.654 -2.981 -6.398 1.00 0.00 C ATOM 0 H VAL A 142 -2.851 -0.441 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.158 -0.925 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.823 -2.062 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.491 -3.894 -8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.120 -2.337 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.010 -3.030 -8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.103 -3.964 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.602 -3.096 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.173 -2.455 -5.596 1.00 0.00 H new ATOM 1035 N GLN A 143 -2.018 0.459 -9.392 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.891 1.165 -10.657 1.00 0.00 C ATOM 1037 C GLN A 143 -0.949 2.342 -10.455 1.00 0.00 C ATOM 1038 O GLN A 143 -0.092 2.629 -11.290 1.00 0.00 O ATOM 1039 CB GLN A 143 -3.262 1.654 -11.127 1.00 0.00 C ATOM 1040 CG GLN A 143 -4.104 0.452 -11.543 1.00 0.00 C ATOM 1041 CD GLN A 143 -5.531 0.892 -11.824 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -6.022 1.844 -11.218 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -6.228 0.254 -12.718 1.00 0.00 N ATOM 0 H GLN A 143 -2.960 0.435 -9.000 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.491 0.498 -11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.760 2.203 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.149 2.342 -11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.676 -0.013 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.095 -0.300 -10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.817 -0.534 -13.218 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.186 0.542 -12.919 1.00 0.00 H new ATOM 1052 N MET A 144 -1.106 2.990 -9.309 1.00 0.00 N ATOM 1053 CA MET A 144 -0.263 4.114 -8.937 1.00 0.00 C ATOM 1054 C MET A 144 1.193 3.652 -8.823 1.00 0.00 C ATOM 1055 O MET A 144 2.097 4.289 -9.364 1.00 0.00 O ATOM 1056 CB MET A 144 -0.796 4.690 -7.611 1.00 0.00 C ATOM 1057 CG MET A 144 0.309 5.367 -6.801 1.00 0.00 C ATOM 1058 SD MET A 144 -0.409 6.675 -5.772 1.00 0.00 S ATOM 1059 CE MET A 144 -1.383 5.616 -4.676 1.00 0.00 C ATOM 0 H MET A 144 -1.816 2.753 -8.617 1.00 0.00 H new ATOM 0 HA MET A 144 -0.290 4.897 -9.695 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.587 5.410 -7.820 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.241 3.890 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.816 4.634 -6.174 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.060 5.787 -7.470 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.516 6.112 -3.714 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.358 5.427 -5.125 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.863 4.670 -4.528 1.00 0.00 H new ATOM 1069 N MET A 145 1.410 2.544 -8.121 1.00 0.00 N ATOM 1070 CA MET A 145 2.757 2.001 -7.941 1.00 0.00 C ATOM 1071 C MET A 145 3.314 1.412 -9.235 1.00 0.00 C ATOM 1072 O MET A 145 4.530 1.290 -9.389 1.00 0.00 O ATOM 1073 CB MET A 145 2.741 0.917 -6.864 1.00 0.00 C ATOM 1074 CG MET A 145 2.450 1.555 -5.509 1.00 0.00 C ATOM 1075 SD MET A 145 2.337 0.256 -4.258 1.00 0.00 S ATOM 1076 CE MET A 145 1.654 1.280 -2.937 1.00 0.00 C ATOM 0 H MET A 145 0.673 2.004 -7.667 1.00 0.00 H new ATOM 0 HA MET A 145 3.402 2.826 -7.638 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.983 0.169 -7.096 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.701 0.401 -6.837 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.239 2.261 -5.248 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.518 2.119 -5.551 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.140 1.030 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.826 2.332 -3.166 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.583 1.098 -2.852 1.00 0.00 H new ATOM 1214 N ASP B 35 0.436 -10.173 14.350 1.00 0.00 N ATOM 1215 CA ASP B 35 1.508 -10.917 14.997 1.00 0.00 C ATOM 1216 C ASP B 35 2.212 -11.814 13.985 1.00 0.00 C ATOM 1217 O ASP B 35 3.151 -12.534 14.324 1.00 0.00 O ATOM 1218 CB ASP B 35 0.940 -11.770 16.135 1.00 0.00 C ATOM 1219 CG ASP B 35 0.017 -12.848 15.573 1.00 0.00 C ATOM 1220 OD1 ASP B 35 -0.139 -12.897 14.364 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -0.521 -13.607 16.362 1.00 0.00 O ATOM 0 HA ASP B 35 2.229 -10.208 15.405 1.00 0.00 H new ATOM 0 HB2 ASP B 35 1.753 -12.232 16.694 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.391 -11.139 16.834 1.00 0.00 H new ATOM 1226 N ALA B 36 1.753 -11.756 12.739 1.00 0.00 N ATOM 1227 CA ALA B 36 2.344 -12.559 11.677 1.00 0.00 C ATOM 1228 C ALA B 36 3.481 -11.780 10.992 1.00 0.00 C ATOM 1229 O ALA B 36 3.217 -10.773 10.335 1.00 0.00 O ATOM 1230 CB ALA B 36 1.274 -12.892 10.636 1.00 0.00 C ATOM 0 H ALA B 36 0.977 -11.164 12.442 1.00 0.00 H new ATOM 0 HA ALA B 36 2.744 -13.476 12.110 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.715 -13.493 9.841 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.468 -13.452 11.109 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.876 -11.969 10.215 1.00 0.00 H new ATOM 1236 N PRO B 37 4.725 -12.208 11.105 1.00 0.00 N ATOM 1237 CA PRO B 37 5.869 -11.499 10.447 1.00 0.00 C ATOM 1238 C PRO B 37 5.611 -11.233 8.965 1.00 0.00 C ATOM 1239 O PRO B 37 6.073 -10.234 8.415 1.00 0.00 O ATOM 1240 CB PRO B 37 7.036 -12.470 10.617 1.00 0.00 C ATOM 1241 CG PRO B 37 6.718 -13.230 11.854 1.00 0.00 C ATOM 1242 CD PRO B 37 5.200 -13.384 11.869 1.00 0.00 C ATOM 0 HA PRO B 37 6.046 -10.518 10.887 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.127 -13.134 9.757 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.983 -11.938 10.711 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.210 -14.203 11.852 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.066 -12.698 12.740 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.887 -14.318 11.403 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.807 -13.387 12.886 1.00 0.00 H new ATOM 1250 N GLU B 38 4.880 -12.138 8.323 1.00 0.00 N ATOM 1251 CA GLU B 38 4.580 -11.995 6.903 1.00 0.00 C ATOM 1252 C GLU B 38 3.794 -10.713 6.641 1.00 0.00 C ATOM 1253 O GLU B 38 4.026 -10.027 5.646 1.00 0.00 O ATOM 1254 CB GLU B 38 3.766 -13.198 6.420 1.00 0.00 C ATOM 1255 CG GLU B 38 4.656 -14.443 6.402 1.00 0.00 C ATOM 1256 CD GLU B 38 3.817 -15.679 6.100 1.00 0.00 C ATOM 1257 OE1 GLU B 38 2.602 -15.575 6.153 1.00 0.00 O ATOM 1258 OE2 GLU B 38 4.400 -16.713 5.820 1.00 0.00 O ATOM 0 H GLU B 38 4.487 -12.972 8.759 1.00 0.00 H new ATOM 0 HA GLU B 38 5.523 -11.946 6.358 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.911 -13.359 7.076 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.371 -13.006 5.422 1.00 0.00 H new ATOM 0 HG2 GLU B 38 5.437 -14.331 5.650 1.00 0.00 H new ATOM 0 HG3 GLU B 38 5.154 -14.558 7.365 1.00 0.00 H new ATOM 1265 N THR B 39 2.868 -10.393 7.538 1.00 0.00 N ATOM 1266 CA THR B 39 2.059 -9.188 7.384 1.00 0.00 C ATOM 1267 C THR B 39 2.945 -7.947 7.405 1.00 0.00 C ATOM 1268 O THR B 39 2.768 -7.031 6.601 1.00 0.00 O ATOM 1269 CB THR B 39 1.030 -9.097 8.513 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.184 -10.238 8.473 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.187 -7.834 8.331 1.00 0.00 C ATOM 0 H THR B 39 2.660 -10.944 8.371 1.00 0.00 H new ATOM 0 HA THR B 39 1.542 -9.241 6.426 1.00 0.00 H new ATOM 0 HB THR B 39 1.544 -9.057 9.473 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.475 -10.182 9.196 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.547 -7.767 9.134 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.834 -6.958 8.357 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.328 -7.876 7.371 1.00 0.00 H new ATOM 1279 N GLU B 40 3.895 -7.921 8.335 1.00 0.00 N ATOM 1280 CA GLU B 40 4.799 -6.783 8.459 1.00 0.00 C ATOM 1281 C GLU B 40 5.625 -6.611 7.188 1.00 0.00 C ATOM 1282 O GLU B 40 5.850 -5.488 6.733 1.00 0.00 O ATOM 1283 CB GLU B 40 5.734 -6.990 9.651 1.00 0.00 C ATOM 1284 CG GLU B 40 4.939 -6.871 10.951 1.00 0.00 C ATOM 1285 CD GLU B 40 5.818 -7.252 12.137 1.00 0.00 C ATOM 1286 OE1 GLU B 40 6.886 -7.795 11.906 1.00 0.00 O ATOM 1287 OE2 GLU B 40 5.411 -6.997 13.259 1.00 0.00 O ATOM 0 H GLU B 40 4.058 -8.669 9.009 1.00 0.00 H new ATOM 0 HA GLU B 40 4.202 -5.884 8.614 1.00 0.00 H new ATOM 0 HB2 GLU B 40 6.206 -7.970 9.590 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.533 -6.249 9.632 1.00 0.00 H new ATOM 0 HG2 GLU B 40 4.574 -5.851 11.071 1.00 0.00 H new ATOM 0 HG3 GLU B 40 4.064 -7.520 10.913 1.00 0.00 H new ATOM 1294 N ARG B 41 6.072 -7.724 6.616 1.00 0.00 N ATOM 1295 CA ARG B 41 6.869 -7.671 5.396 1.00 0.00 C ATOM 1296 C ARG B 41 6.050 -7.077 4.255 1.00 0.00 C ATOM 1297 O ARG B 41 6.559 -6.290 3.457 1.00 0.00 O ATOM 1298 CB ARG B 41 7.340 -9.080 5.013 1.00 0.00 C ATOM 1299 CG ARG B 41 8.381 -9.584 6.023 1.00 0.00 C ATOM 1300 CD ARG B 41 9.778 -9.085 5.634 1.00 0.00 C ATOM 1301 NE ARG B 41 10.773 -9.592 6.572 1.00 0.00 N ATOM 1302 CZ ARG B 41 12.061 -9.294 6.436 1.00 0.00 C ATOM 1303 NH1 ARG B 41 12.452 -8.532 5.451 1.00 0.00 N ATOM 1304 NH2 ARG B 41 12.934 -9.761 7.285 1.00 0.00 N ATOM 0 H ARG B 41 5.899 -8.664 6.973 1.00 0.00 H new ATOM 0 HA ARG B 41 7.738 -7.038 5.576 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.489 -9.761 4.986 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.770 -9.068 4.012 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.127 -9.234 7.024 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.371 -10.674 6.054 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.021 -9.412 4.623 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.795 -7.995 5.629 1.00 0.00 H new ATOM 0 HE ARG B 41 10.475 -10.186 7.346 1.00 0.00 H new ATOM 0 HH11 ARG B 41 11.769 -8.166 4.787 1.00 0.00 H new ATOM 0 HH12 ARG B 41 13.440 -8.302 5.345 1.00 0.00 H new ATOM 0 HH21 ARG B 41 12.629 -10.356 8.055 1.00 0.00 H new ATOM 0 HH22 ARG B 41 13.922 -9.531 7.179 1.00 0.00 H new ATOM 1318 N ALA B 42 4.777 -7.452 4.190 1.00 0.00 N ATOM 1319 CA ALA B 42 3.893 -6.943 3.148 1.00 0.00 C ATOM 1320 C ALA B 42 3.759 -5.429 3.264 1.00 0.00 C ATOM 1321 O ALA B 42 3.738 -4.716 2.261 1.00 0.00 O ATOM 1322 CB ALA B 42 2.514 -7.592 3.270 1.00 0.00 C ATOM 0 H ALA B 42 4.337 -8.102 4.841 1.00 0.00 H new ATOM 0 HA ALA B 42 4.321 -7.188 2.176 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.860 -7.206 2.488 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.610 -8.673 3.163 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.088 -7.361 4.246 1.00 0.00 H new ATOM 1328 N ALA B 43 3.670 -4.947 4.498 1.00 0.00 N ATOM 1329 CA ALA B 43 3.541 -3.517 4.747 1.00 0.00 C ATOM 1330 C ALA B 43 4.754 -2.766 4.207 1.00 0.00 C ATOM 1331 O ALA B 43 4.628 -1.673 3.657 1.00 0.00 O ATOM 1332 CB ALA B 43 3.410 -3.259 6.249 1.00 0.00 C ATOM 0 H ALA B 43 3.685 -5.524 5.339 1.00 0.00 H new ATOM 0 HA ALA B 43 2.648 -3.158 4.235 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.314 -2.188 6.427 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.527 -3.771 6.630 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.296 -3.634 6.761 1.00 0.00 H new ATOM 1338 N VAL B 44 5.932 -3.359 4.380 1.00 0.00 N ATOM 1339 CA VAL B 44 7.169 -2.738 3.921 1.00 0.00 C ATOM 1340 C VAL B 44 7.165 -2.535 2.406 1.00 0.00 C ATOM 1341 O VAL B 44 7.522 -1.464 1.917 1.00 0.00 O ATOM 1342 CB VAL B 44 8.363 -3.613 4.305 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.627 -3.080 3.629 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.550 -3.586 5.824 1.00 0.00 C ATOM 0 H VAL B 44 6.055 -4.265 4.833 1.00 0.00 H new ATOM 0 HA VAL B 44 7.248 -1.762 4.401 1.00 0.00 H new ATOM 0 HB VAL B 44 8.180 -4.637 3.979 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.477 -3.704 3.903 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.497 -3.099 2.547 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.809 -2.056 3.954 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.401 -4.210 6.097 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.731 -2.562 6.150 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.651 -3.967 6.308 1.00 0.00 H new ATOM 1354 N ALA B 45 6.771 -3.568 1.667 1.00 0.00 N ATOM 1355 CA ALA B 45 6.746 -3.473 0.210 1.00 0.00 C ATOM 1356 C ALA B 45 5.788 -2.381 -0.249 1.00 0.00 C ATOM 1357 O ALA B 45 6.123 -1.576 -1.114 1.00 0.00 O ATOM 1358 CB ALA B 45 6.316 -4.813 -0.390 1.00 0.00 C ATOM 0 H ALA B 45 6.469 -4.466 2.044 1.00 0.00 H new ATOM 0 HA ALA B 45 7.750 -3.221 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.299 -4.736 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.022 -5.588 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.320 -5.071 -0.029 1.00 0.00 H new ATOM 1364 N ILE B 46 4.599 -2.355 0.336 1.00 0.00 N ATOM 1365 CA ILE B 46 3.607 -1.351 -0.025 1.00 0.00 C ATOM 1366 C ILE B 46 4.097 0.050 0.332 1.00 0.00 C ATOM 1367 O ILE B 46 4.016 0.972 -0.479 1.00 0.00 O ATOM 1368 CB ILE B 46 2.294 -1.659 0.696 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.709 -2.946 0.112 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.298 -0.513 0.497 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.565 -3.434 0.996 1.00 0.00 C ATOM 0 H ILE B 46 4.299 -3.011 1.057 1.00 0.00 H new ATOM 0 HA ILE B 46 3.445 -1.382 -1.102 1.00 0.00 H new ATOM 0 HB ILE B 46 2.483 -1.777 1.763 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.349 -2.767 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.482 -3.711 0.045 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.368 -0.745 1.015 1.00 0.00 H new ATOM 0 HG22 ILE B 46 1.718 0.408 0.901 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.098 -0.385 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.149 -4.351 0.579 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.940 -3.629 2.001 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.212 -2.670 1.040 1.00 0.00 H new ATOM 1383 N GLN B 47 4.606 0.198 1.550 1.00 0.00 N ATOM 1384 CA GLN B 47 5.111 1.487 2.009 1.00 0.00 C ATOM 1385 C GLN B 47 6.346 1.911 1.223 1.00 0.00 C ATOM 1386 O GLN B 47 6.513 3.089 0.904 1.00 0.00 O ATOM 1387 CB GLN B 47 5.435 1.415 3.501 1.00 0.00 C ATOM 1388 CG GLN B 47 4.125 1.323 4.288 1.00 0.00 C ATOM 1389 CD GLN B 47 4.409 1.266 5.783 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.302 1.955 6.275 1.00 0.00 O ATOM 1391 NE2 GLN B 47 3.688 0.487 6.542 1.00 0.00 N ATOM 0 H GLN B 47 4.680 -0.555 2.235 1.00 0.00 H new ATOM 0 HA GLN B 47 4.336 2.235 1.842 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.062 0.548 3.709 1.00 0.00 H new ATOM 0 HB3 GLN B 47 5.998 2.296 3.808 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.496 2.185 4.063 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.571 0.436 3.982 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.948 -0.083 6.131 1.00 0.00 H new ATOM 0 HE22 GLN B 47 3.864 0.448 7.546 1.00 0.00 H new ATOM 1400 N SER B 48 7.214 0.952 0.918 1.00 0.00 N ATOM 1401 CA SER B 48 8.432 1.254 0.175 1.00 0.00 C ATOM 1402 C SER B 48 8.095 1.822 -1.200 1.00 0.00 C ATOM 1403 O SER B 48 8.717 2.783 -1.654 1.00 0.00 O ATOM 1404 CB SER B 48 9.273 -0.012 0.015 1.00 0.00 C ATOM 1405 OG SER B 48 9.731 -0.435 1.292 1.00 0.00 O ATOM 0 H SER B 48 7.099 -0.030 1.170 1.00 0.00 H new ATOM 0 HA SER B 48 9.000 1.999 0.733 1.00 0.00 H new ATOM 0 HB2 SER B 48 8.681 -0.800 -0.451 1.00 0.00 H new ATOM 0 HB3 SER B 48 10.121 0.181 -0.643 1.00 0.00 H new ATOM 0 HG SER B 48 9.176 -1.178 1.609 1.00 0.00 H new ATOM 1411 N GLN B 49 7.103 1.229 -1.855 1.00 0.00 N ATOM 1412 CA GLN B 49 6.688 1.693 -3.175 1.00 0.00 C ATOM 1413 C GLN B 49 6.118 3.106 -3.089 1.00 0.00 C ATOM 1414 O GLN B 49 6.357 3.935 -3.966 1.00 0.00 O ATOM 1415 CB GLN B 49 5.640 0.745 -3.763 1.00 0.00 C ATOM 1416 CG GLN B 49 6.289 -0.595 -4.122 1.00 0.00 C ATOM 1417 CD GLN B 49 7.284 -0.414 -5.264 1.00 0.00 C ATOM 1418 OE1 GLN B 49 6.952 0.180 -6.290 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.493 -0.892 -5.146 1.00 0.00 N ATOM 0 H GLN B 49 6.575 0.433 -1.498 1.00 0.00 H new ATOM 0 HA GLN B 49 7.562 1.706 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.836 0.588 -3.044 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.192 1.191 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.797 -1.005 -3.250 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.521 -1.313 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN B 49 8.766 -1.384 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.164 -0.774 -5.905 1.00 0.00 H new ATOM 1428 N PHE B 50 5.362 3.373 -2.028 1.00 0.00 N ATOM 1429 CA PHE B 50 4.764 4.691 -1.841 1.00 0.00 C ATOM 1430 C PHE B 50 5.842 5.767 -1.785 1.00 0.00 C ATOM 1431 O PHE B 50 5.731 6.800 -2.444 1.00 0.00 O ATOM 1432 CB PHE B 50 3.919 4.724 -0.563 1.00 0.00 C ATOM 1433 CG PHE B 50 3.441 6.139 -0.314 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.602 6.768 -1.244 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.836 6.824 0.845 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.163 8.079 -1.019 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.395 8.133 1.069 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.561 8.763 0.136 1.00 0.00 C ATOM 0 H PHE B 50 5.150 2.701 -1.291 1.00 0.00 H new ATOM 0 HA PHE B 50 4.115 4.893 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.066 4.052 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.507 4.372 0.285 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.294 6.241 -2.135 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.481 6.341 1.564 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.517 8.563 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.698 8.659 1.963 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.225 9.775 0.308 1.00 0.00 H new ATOM 1448 N ARG B 51 6.883 5.525 -0.995 1.00 0.00 N ATOM 1449 CA ARG B 51 7.963 6.495 -0.874 1.00 0.00 C ATOM 1450 C ARG B 51 8.621 6.718 -2.234 1.00 0.00 C ATOM 1451 O ARG B 51 8.957 7.843 -2.595 1.00 0.00 O ATOM 1452 CB ARG B 51 9.014 5.991 0.117 1.00 0.00 C ATOM 1453 CG ARG B 51 8.438 6.011 1.534 1.00 0.00 C ATOM 1454 CD ARG B 51 9.501 5.524 2.519 1.00 0.00 C ATOM 1455 NE ARG B 51 9.804 4.118 2.279 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.806 3.514 2.908 1.00 0.00 C ATOM 1457 NH1 ARG B 51 11.530 4.176 3.768 1.00 0.00 N ATOM 1458 NH2 ARG B 51 11.067 2.258 2.666 1.00 0.00 N ATOM 0 H ARG B 51 7.001 4.679 -0.437 1.00 0.00 H new ATOM 0 HA ARG B 51 7.546 7.435 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.321 4.979 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.905 6.617 0.067 1.00 0.00 H new ATOM 0 HG2 ARG B 51 8.119 7.020 1.795 1.00 0.00 H new ATOM 0 HG3 ARG B 51 7.556 5.374 1.589 1.00 0.00 H new ATOM 0 HD2 ARG B 51 10.406 6.122 2.413 1.00 0.00 H new ATOM 0 HD3 ARG B 51 9.148 5.658 3.542 1.00 0.00 H new ATOM 0 HE ARG B 51 9.237 3.589 1.617 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.327 5.157 3.957 1.00 0.00 H new ATOM 0 HH12 ARG B 51 12.299 3.712 4.251 1.00 0.00 H new ATOM 0 HH21 ARG B 51 10.501 1.740 1.994 1.00 0.00 H new ATOM 0 HH22 ARG B 51 11.837 1.795 3.149 1.00 0.00 H new ATOM 1472 N LYS B 52 8.796 5.639 -2.985 1.00 0.00 N ATOM 1473 CA LYS B 52 9.407 5.734 -4.306 1.00 0.00 C ATOM 1474 C LYS B 52 8.523 6.537 -5.260 1.00 0.00 C ATOM 1475 O LYS B 52 9.021 7.307 -6.081 1.00 0.00 O ATOM 1476 CB LYS B 52 9.638 4.333 -4.877 1.00 0.00 C ATOM 1477 CG LYS B 52 10.751 3.638 -4.092 1.00 0.00 C ATOM 1478 CD LYS B 52 10.981 2.238 -4.663 1.00 0.00 C ATOM 1479 CE LYS B 52 12.147 1.571 -3.929 1.00 0.00 C ATOM 1480 NZ LYS B 52 11.802 1.416 -2.487 1.00 0.00 N ATOM 0 H LYS B 52 8.527 4.695 -2.707 1.00 0.00 H new ATOM 0 HA LYS B 52 10.363 6.248 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS B 52 8.719 3.749 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.908 4.399 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS B 52 11.670 4.221 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS B 52 10.481 3.572 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS B 52 10.078 1.637 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS B 52 11.197 2.300 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS B 52 12.359 0.597 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS B 52 13.050 2.173 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 12.297 0.588 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 12.093 2.268 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 10.775 1.283 -2.388 1.00 0.00 H new ATOM 1494 N PHE B 53 7.213 6.333 -5.159 1.00 0.00 N ATOM 1495 CA PHE B 53 6.266 7.022 -6.033 1.00 0.00 C ATOM 1496 C PHE B 53 6.354 8.541 -5.875 1.00 0.00 C ATOM 1497 O PHE B 53 6.442 9.268 -6.864 1.00 0.00 O ATOM 1498 CB PHE B 53 4.842 6.567 -5.713 1.00 0.00 C ATOM 1499 CG PHE B 53 3.867 7.264 -6.634 1.00 0.00 C ATOM 1500 CD1 PHE B 53 3.564 6.709 -7.884 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.265 8.464 -6.238 1.00 0.00 C ATOM 1502 CE1 PHE B 53 2.660 7.355 -8.738 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.361 9.109 -7.091 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.059 8.555 -8.341 1.00 0.00 C ATOM 0 H PHE B 53 6.783 5.700 -4.485 1.00 0.00 H new ATOM 0 HA PHE B 53 6.521 6.769 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE B 53 4.760 5.486 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE B 53 4.602 6.794 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.027 5.783 -8.190 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.498 8.893 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE B 53 2.427 6.927 -9.702 1.00 0.00 H new ATOM 0 HE2 PHE B 53 1.896 10.035 -6.785 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.362 9.054 -8.999 1.00 0.00 H new ATOM 1514 N GLN B 54 6.321 9.020 -4.633 1.00 0.00 N ATOM 1515 CA GLN B 54 6.389 10.458 -4.385 1.00 0.00 C ATOM 1516 C GLN B 54 7.765 11.014 -4.747 1.00 0.00 C ATOM 1517 O GLN B 54 7.891 12.181 -5.119 1.00 0.00 O ATOM 1518 CB GLN B 54 6.064 10.763 -2.919 1.00 0.00 C ATOM 1519 CG GLN B 54 7.059 10.050 -2.006 1.00 0.00 C ATOM 1520 CD GLN B 54 6.741 10.356 -0.546 1.00 0.00 C ATOM 1521 OE1 GLN B 54 7.642 10.928 0.204 1.00 0.00 O flip ATOM 1522 NE2 GLN B 54 5.642 10.063 -0.076 1.00 0.00 N flip ATOM 0 H GLN B 54 6.249 8.444 -3.795 1.00 0.00 H new ATOM 0 HA GLN B 54 5.648 10.944 -5.020 1.00 0.00 H new ATOM 0 HB2 GLN B 54 6.104 11.838 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN B 54 5.049 10.440 -2.688 1.00 0.00 H new ATOM 0 HG2 GLN B 54 7.017 8.975 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN B 54 8.074 10.371 -2.240 1.00 0.00 H new ATOM 0 HE21 GLN B 54 4.939 9.616 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN B 54 5.434 10.267 0.902 1.00 0.00 H new ATOM 1531 N LYS B 55 8.790 10.174 -4.652 1.00 0.00 N ATOM 1532 CA LYS B 55 10.143 10.602 -4.993 1.00 0.00 C ATOM 1533 C LYS B 55 10.216 10.994 -6.465 1.00 0.00 C ATOM 1534 O LYS B 55 10.884 11.961 -6.829 1.00 0.00 O ATOM 1535 CB LYS B 55 11.144 9.482 -4.701 1.00 0.00 C ATOM 1536 CG LYS B 55 11.353 9.364 -3.187 1.00 0.00 C ATOM 1537 CD LYS B 55 12.483 10.298 -2.732 1.00 0.00 C ATOM 1538 CE LYS B 55 13.843 9.614 -2.922 1.00 0.00 C ATOM 1539 NZ LYS B 55 14.917 10.493 -2.378 1.00 0.00 N ATOM 0 H LYS B 55 8.713 9.204 -4.346 1.00 0.00 H new ATOM 0 HA LYS B 55 10.397 11.469 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS B 55 10.777 8.538 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.093 9.690 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS B 55 10.430 9.617 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.596 8.334 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.451 11.225 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS B 55 12.345 10.565 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.853 8.651 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.019 9.417 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 15.841 10.032 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.911 11.402 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.750 10.659 -1.365 1.00 0.00 H new