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 107 HIS : no HE2:sc= -3.82! C(o=-6.7!,f=-6.9!) USER MOD Set 1.2: A 111 ASN : amide:sc= -2.87! C(o=-6.7!,f=-6.9!) USER MOD Single : A 81 SER OG : rot 29:sc= 0.0564 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.157 K(o=0.16,f=-11!) 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= -0.0168 (180deg=-0.501) USER MOD Single : A 117 THR OG1 : rot -77:sc= 0.206 USER MOD Single : A 124 MET CE :methyl -119:sc= -0.0702 (180deg=-0.377) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.7) USER MOD Single : A 138 TYR OH : rot 150:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.23) USER MOD Single : A 144 MET CE :methyl 163:sc= -0.0845 (180deg=-0.813) USER MOD Single : A 145 MET CE :methyl 180:sc= -0.0765 (180deg=-0.0765) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -4.82! C(o=-4.8!,f=-8.1!) USER MOD Single : B 48 SER OG : rot 62:sc= 1.25 USER MOD Single : B 49 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : B 52 LYS NZ :NH3+ -160:sc= -0.0454 (180deg=-0.501) USER MOD Single : B 54 GLN : amide:sc= -3.78! X(o=-3.8!,f=-3.7) USER MOD Single : B 55 LYS NZ :NH3+ -108:sc= -1.53 (180deg=-2.45!) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 6.037 -7.632 -12.133 1.00 0.00 N ATOM 81 CA SER A 81 6.185 -7.430 -10.692 1.00 0.00 C ATOM 82 C SER A 81 4.888 -6.907 -10.093 1.00 0.00 C ATOM 83 O SER A 81 4.764 -6.766 -8.877 1.00 0.00 O ATOM 84 CB SER A 81 7.328 -6.457 -10.397 1.00 0.00 C ATOM 85 OG SER A 81 8.553 -7.019 -10.849 1.00 0.00 O ATOM 0 HA SER A 81 6.421 -8.392 -10.236 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.147 -5.504 -10.894 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.381 -6.254 -9.327 1.00 0.00 H new ATOM 0 HG SER A 81 8.379 -7.617 -11.605 1.00 0.00 H new ATOM 91 N GLU A 82 3.925 -6.606 -10.952 1.00 0.00 N ATOM 92 CA GLU A 82 2.650 -6.089 -10.485 1.00 0.00 C ATOM 93 C GLU A 82 2.042 -7.067 -9.496 1.00 0.00 C ATOM 94 O GLU A 82 1.460 -6.671 -8.486 1.00 0.00 O ATOM 95 CB GLU A 82 1.698 -5.886 -11.668 1.00 0.00 C ATOM 96 CG GLU A 82 0.383 -5.277 -11.175 1.00 0.00 C ATOM 97 CD GLU A 82 -0.552 -5.025 -12.353 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.156 -5.317 -13.469 1.00 0.00 O ATOM 99 OE2 GLU A 82 -1.649 -4.546 -12.122 1.00 0.00 O ATOM 0 H GLU A 82 4.001 -6.710 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 82 2.810 -5.128 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.158 -5.232 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.506 -6.839 -12.160 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.093 -5.949 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.580 -4.342 -10.651 1.00 0.00 H new ATOM 106 N GLU A 83 2.191 -8.345 -9.793 1.00 0.00 N ATOM 107 CA GLU A 83 1.667 -9.389 -8.927 1.00 0.00 C ATOM 108 C GLU A 83 2.373 -9.366 -7.570 1.00 0.00 C ATOM 109 O GLU A 83 1.753 -9.597 -6.533 1.00 0.00 O ATOM 110 CB GLU A 83 1.897 -10.750 -9.586 1.00 0.00 C ATOM 111 CG GLU A 83 3.400 -11.049 -9.629 1.00 0.00 C ATOM 112 CD GLU A 83 3.666 -12.248 -10.532 1.00 0.00 C ATOM 113 OE1 GLU A 83 2.712 -12.775 -11.080 1.00 0.00 O ATOM 114 OE2 GLU A 83 4.819 -12.623 -10.662 1.00 0.00 O ATOM 0 H GLU A 83 2.670 -8.686 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 83 0.602 -9.217 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.376 -11.529 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.486 -10.751 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.942 -10.178 -9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.768 -11.252 -8.623 1.00 0.00 H new ATOM 121 N GLU A 84 3.682 -9.099 -7.589 1.00 0.00 N ATOM 122 CA GLU A 84 4.468 -9.066 -6.357 1.00 0.00 C ATOM 123 C GLU A 84 3.987 -7.961 -5.417 1.00 0.00 C ATOM 124 O GLU A 84 3.788 -8.194 -4.224 1.00 0.00 O ATOM 125 CB GLU A 84 5.948 -8.850 -6.696 1.00 0.00 C ATOM 126 CG GLU A 84 6.515 -10.113 -7.347 1.00 0.00 C ATOM 127 CD GLU A 84 7.924 -9.847 -7.863 1.00 0.00 C ATOM 128 OE1 GLU A 84 8.303 -8.688 -7.920 1.00 0.00 O ATOM 129 OE2 GLU A 84 8.604 -10.803 -8.194 1.00 0.00 O ATOM 0 H GLU A 84 4.214 -8.904 -8.437 1.00 0.00 H new ATOM 0 HA GLU A 84 4.340 -10.021 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.057 -8.001 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.508 -8.612 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.532 -10.928 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.872 -10.429 -8.168 1.00 0.00 H new ATOM 136 N ILE A 85 3.774 -6.769 -5.963 1.00 0.00 N ATOM 137 CA ILE A 85 3.286 -5.651 -5.162 1.00 0.00 C ATOM 138 C ILE A 85 1.856 -5.932 -4.719 1.00 0.00 C ATOM 139 O ILE A 85 1.469 -5.644 -3.587 1.00 0.00 O ATOM 140 CB ILE A 85 3.345 -4.343 -5.961 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.807 -3.914 -6.159 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.599 -3.245 -5.197 1.00 0.00 C ATOM 143 CD1 ILE A 85 5.292 -3.103 -4.947 1.00 0.00 C ATOM 0 H ILE A 85 3.930 -6.552 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 85 3.923 -5.541 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 85 2.880 -4.500 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.437 -4.794 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.898 -3.316 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.640 -2.315 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.559 -3.540 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.066 -3.097 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.329 -2.805 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.672 -2.214 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.219 -3.714 -4.047 1.00 0.00 H new ATOM 155 N ARG A 86 1.090 -6.520 -5.630 1.00 0.00 N ATOM 156 CA ARG A 86 -0.299 -6.876 -5.373 1.00 0.00 C ATOM 157 C ARG A 86 -0.392 -7.843 -4.198 1.00 0.00 C ATOM 158 O ARG A 86 -1.318 -7.771 -3.390 1.00 0.00 O ATOM 159 CB ARG A 86 -0.881 -7.527 -6.625 1.00 0.00 C ATOM 160 CG ARG A 86 -2.345 -7.898 -6.402 1.00 0.00 C ATOM 161 CD ARG A 86 -2.947 -8.353 -7.731 1.00 0.00 C ATOM 162 NE ARG A 86 -3.086 -7.217 -8.635 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.570 -7.369 -9.863 1.00 0.00 C ATOM 164 NH1 ARG A 86 -3.933 -8.551 -10.280 1.00 0.00 N ATOM 165 NH2 ARG A 86 -3.686 -6.336 -10.652 1.00 0.00 N ATOM 0 H ARG A 86 1.414 -6.763 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.862 -5.977 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.797 -6.844 -7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.308 -8.419 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.424 -8.693 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.896 -7.042 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.312 -9.113 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.921 -8.812 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.806 -6.288 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.845 -9.359 -9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.305 -8.667 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.405 -5.411 -10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.058 -6.453 -11.595 1.00 0.00 H new ATOM 179 N GLU A 87 0.574 -8.749 -4.116 1.00 0.00 N ATOM 180 CA GLU A 87 0.592 -9.734 -3.042 1.00 0.00 C ATOM 181 C GLU A 87 0.570 -9.023 -1.695 1.00 0.00 C ATOM 182 O GLU A 87 -0.111 -9.456 -0.766 1.00 0.00 O ATOM 183 CB GLU A 87 1.845 -10.607 -3.151 1.00 0.00 C ATOM 184 CG GLU A 87 1.821 -11.684 -2.063 1.00 0.00 C ATOM 185 CD GLU A 87 3.033 -12.596 -2.210 1.00 0.00 C ATOM 186 OE1 GLU A 87 3.815 -12.370 -3.118 1.00 0.00 O ATOM 187 OE2 GLU A 87 3.161 -13.510 -1.411 1.00 0.00 O ATOM 0 H GLU A 87 1.349 -8.822 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.289 -10.371 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.891 -11.072 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.739 -9.992 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.823 -11.218 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.904 -12.268 -2.138 1.00 0.00 H new ATOM 194 N ALA A 88 1.307 -7.926 -1.601 1.00 0.00 N ATOM 195 CA ALA A 88 1.355 -7.152 -0.367 1.00 0.00 C ATOM 196 C ALA A 88 -0.040 -6.663 0.013 1.00 0.00 C ATOM 197 O ALA A 88 -0.371 -6.576 1.195 1.00 0.00 O ATOM 198 CB ALA A 88 2.292 -5.955 -0.533 1.00 0.00 C ATOM 0 H ALA A 88 1.878 -7.552 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 88 1.731 -7.796 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.320 -5.384 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.295 -6.308 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.930 -5.318 -1.340 1.00 0.00 H new ATOM 204 N PHE A 89 -0.870 -6.381 -0.990 1.00 0.00 N ATOM 205 CA PHE A 89 -2.239 -5.945 -0.724 1.00 0.00 C ATOM 206 C PHE A 89 -3.120 -7.152 -0.397 1.00 0.00 C ATOM 207 O PHE A 89 -3.996 -7.076 0.462 1.00 0.00 O ATOM 208 CB PHE A 89 -2.792 -5.173 -1.924 1.00 0.00 C ATOM 209 CG PHE A 89 -2.087 -3.837 -2.001 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.585 -2.741 -1.283 1.00 0.00 C ATOM 211 CD2 PHE A 89 -0.930 -3.698 -2.774 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.924 -1.509 -1.342 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.267 -2.465 -2.835 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.766 -1.370 -2.117 1.00 0.00 C ATOM 0 H PHE A 89 -0.624 -6.445 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.239 -5.277 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.635 -5.738 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.867 -5.028 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.478 -2.847 -0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.546 -4.543 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.307 -0.664 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.626 -2.359 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.257 -0.418 -2.161 1.00 0.00 H new ATOM 224 N ARG A 90 -2.894 -8.258 -1.107 1.00 0.00 N ATOM 225 CA ARG A 90 -3.697 -9.463 -0.898 1.00 0.00 C ATOM 226 C ARG A 90 -3.688 -9.869 0.572 1.00 0.00 C ATOM 227 O ARG A 90 -4.632 -10.495 1.053 1.00 0.00 O ATOM 228 CB ARG A 90 -3.181 -10.624 -1.753 1.00 0.00 C ATOM 229 CG ARG A 90 -3.482 -10.350 -3.228 1.00 0.00 C ATOM 230 CD ARG A 90 -3.037 -11.546 -4.074 1.00 0.00 C ATOM 231 NE ARG A 90 -3.295 -11.294 -5.488 1.00 0.00 N ATOM 232 CZ ARG A 90 -3.016 -12.209 -6.411 1.00 0.00 C ATOM 233 NH1 ARG A 90 -2.511 -13.360 -6.055 1.00 0.00 N ATOM 234 NH2 ARG A 90 -3.249 -11.961 -7.670 1.00 0.00 N ATOM 0 H ARG A 90 -2.172 -8.345 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.719 -9.233 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.108 -10.747 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.654 -11.556 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.549 -10.172 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.964 -9.448 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.974 -11.733 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.568 -12.443 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.696 -10.401 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.331 -13.555 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.296 -14.063 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.646 -11.064 -7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.034 -12.665 -8.377 1.00 0.00 H new ATOM 248 N VAL A 91 -2.641 -9.487 1.289 1.00 0.00 N ATOM 249 CA VAL A 91 -2.559 -9.798 2.711 1.00 0.00 C ATOM 250 C VAL A 91 -3.735 -9.157 3.434 1.00 0.00 C ATOM 251 O VAL A 91 -4.312 -9.742 4.352 1.00 0.00 O ATOM 252 CB VAL A 91 -1.246 -9.281 3.302 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.295 -9.393 4.832 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.086 -10.127 2.771 1.00 0.00 C ATOM 0 H VAL A 91 -1.846 -8.968 0.917 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.592 -10.880 2.838 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.103 -8.239 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.360 -9.025 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.125 -8.798 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.436 -10.436 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.852 -9.762 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.232 -11.168 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.051 -10.055 1.684 1.00 0.00 H new ATOM 264 N PHE A 92 -4.087 -7.950 3.005 1.00 0.00 N ATOM 265 CA PHE A 92 -5.199 -7.231 3.609 1.00 0.00 C ATOM 266 C PHE A 92 -6.508 -7.588 2.903 1.00 0.00 C ATOM 267 O PHE A 92 -7.587 -7.470 3.485 1.00 0.00 O ATOM 268 CB PHE A 92 -4.952 -5.722 3.516 1.00 0.00 C ATOM 269 CG PHE A 92 -3.511 -5.423 3.871 1.00 0.00 C ATOM 270 CD1 PHE A 92 -2.972 -5.877 5.080 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.709 -4.694 2.983 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.637 -5.609 5.400 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.373 -4.424 3.305 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.837 -4.883 4.512 1.00 0.00 C ATOM 0 H PHE A 92 -3.621 -7.453 2.246 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.277 -7.519 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.170 -5.369 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.622 -5.191 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.589 -6.436 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.121 -4.340 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.224 -5.963 6.333 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.756 -3.861 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.194 -4.677 4.758 1.00 0.00 H new ATOM 284 N ASP A 93 -6.410 -8.026 1.646 1.00 0.00 N ATOM 285 CA ASP A 93 -7.599 -8.396 0.881 1.00 0.00 C ATOM 286 C ASP A 93 -7.969 -9.854 1.154 1.00 0.00 C ATOM 287 O ASP A 93 -7.742 -10.739 0.326 1.00 0.00 O ATOM 288 CB ASP A 93 -7.350 -8.183 -0.623 1.00 0.00 C ATOM 289 CG ASP A 93 -6.282 -7.118 -0.828 1.00 0.00 C ATOM 290 OD1 ASP A 93 -6.160 -6.264 0.028 1.00 0.00 O ATOM 291 OD2 ASP A 93 -5.604 -7.171 -1.841 1.00 0.00 O ATOM 0 H ASP A 93 -5.529 -8.132 1.142 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.428 -7.760 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.035 -9.119 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.275 -7.881 -1.114 1.00 0.00 H new ATOM 296 N LYS A 94 -8.540 -10.105 2.326 1.00 0.00 N ATOM 297 CA LYS A 94 -8.932 -11.459 2.692 1.00 0.00 C ATOM 298 C LYS A 94 -10.374 -11.698 2.290 1.00 0.00 C ATOM 299 O LYS A 94 -10.816 -12.839 2.156 1.00 0.00 O ATOM 300 CB LYS A 94 -8.791 -11.655 4.197 1.00 0.00 C ATOM 301 CG LYS A 94 -7.603 -10.837 4.693 1.00 0.00 C ATOM 302 CD LYS A 94 -7.314 -11.159 6.165 1.00 0.00 C ATOM 303 CE LYS A 94 -6.451 -12.424 6.274 1.00 0.00 C ATOM 304 NZ LYS A 94 -6.082 -12.648 7.701 1.00 0.00 N ATOM 0 H LYS A 94 -8.740 -9.397 3.032 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.284 -12.166 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.703 -11.341 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.645 -12.710 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.724 -11.055 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.812 -9.773 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.801 -10.319 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.251 -11.302 6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.997 -13.285 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.552 -12.318 5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.497 -13.505 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.546 -11.830 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.946 -12.766 8.268 1.00 0.00 H new ATOM 318 N ASP A 95 -11.095 -10.606 2.074 1.00 0.00 N ATOM 319 CA ASP A 95 -12.486 -10.704 1.658 1.00 0.00 C ATOM 320 C ASP A 95 -12.553 -11.216 0.225 1.00 0.00 C ATOM 321 O ASP A 95 -13.519 -11.865 -0.172 1.00 0.00 O ATOM 322 CB ASP A 95 -13.160 -9.334 1.749 1.00 0.00 C ATOM 323 CG ASP A 95 -14.662 -9.478 1.529 1.00 0.00 C ATOM 324 OD1 ASP A 95 -15.078 -10.543 1.104 1.00 0.00 O ATOM 325 OD2 ASP A 95 -15.373 -8.521 1.787 1.00 0.00 O ATOM 0 H ASP A 95 -10.745 -9.654 2.178 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.008 -11.398 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.968 -8.889 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.737 -8.661 1.003 1.00 0.00 H new ATOM 330 N GLY A 96 -11.505 -10.922 -0.541 1.00 0.00 N ATOM 331 CA GLY A 96 -11.430 -11.360 -1.928 1.00 0.00 C ATOM 332 C GLY A 96 -12.396 -10.575 -2.811 1.00 0.00 C ATOM 333 O GLY A 96 -12.734 -11.013 -3.910 1.00 0.00 O ATOM 0 H GLY A 96 -10.699 -10.383 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.412 -11.233 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.661 -12.424 -1.989 1.00 0.00 H new ATOM 337 N ASN A 97 -12.841 -9.419 -2.328 1.00 0.00 N ATOM 338 CA ASN A 97 -13.772 -8.599 -3.097 1.00 0.00 C ATOM 339 C ASN A 97 -13.032 -7.600 -3.985 1.00 0.00 C ATOM 340 O ASN A 97 -13.652 -6.884 -4.769 1.00 0.00 O ATOM 341 CB ASN A 97 -14.704 -7.844 -2.147 1.00 0.00 C ATOM 342 CG ASN A 97 -13.909 -6.829 -1.333 1.00 0.00 C ATOM 343 OD1 ASN A 97 -12.679 -6.842 -1.357 1.00 0.00 O ATOM 344 ND2 ASN A 97 -14.541 -5.946 -0.609 1.00 0.00 N ATOM 0 H ASN A 97 -12.577 -9.033 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.353 -9.262 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.483 -7.336 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.203 -8.547 -1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.015 -5.265 -0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.561 -5.937 -0.591 1.00 0.00 H new ATOM 351 N GLY A 98 -11.705 -7.568 -3.871 1.00 0.00 N ATOM 352 CA GLY A 98 -10.902 -6.651 -4.679 1.00 0.00 C ATOM 353 C GLY A 98 -10.593 -5.359 -3.920 1.00 0.00 C ATOM 354 O GLY A 98 -9.846 -4.509 -4.408 1.00 0.00 O ATOM 0 H GLY A 98 -11.168 -8.158 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.970 -7.138 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.434 -6.415 -5.600 1.00 0.00 H new ATOM 358 N TYR A 99 -11.194 -5.209 -2.743 1.00 0.00 N ATOM 359 CA TYR A 99 -11.001 -4.003 -1.936 1.00 0.00 C ATOM 360 C TYR A 99 -10.480 -4.344 -0.542 1.00 0.00 C ATOM 361 O TYR A 99 -10.625 -5.471 -0.068 1.00 0.00 O ATOM 362 CB TYR A 99 -12.327 -3.251 -1.785 1.00 0.00 C ATOM 363 CG TYR A 99 -12.878 -2.880 -3.141 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.353 -3.880 -3.990 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.903 -1.542 -3.553 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.854 -3.553 -5.253 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.409 -1.211 -4.818 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.881 -2.218 -5.669 1.00 0.00 C ATOM 369 OH TYR A 99 -14.378 -1.891 -6.913 1.00 0.00 O ATOM 0 H TYR A 99 -11.816 -5.902 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.268 -3.382 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.046 -3.872 -1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.177 -2.352 -1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.333 -4.911 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.533 -0.767 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.220 -4.330 -5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.435 -0.179 -5.136 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.325 -0.921 -7.042 1.00 0.00 H new ATOM 379 N ILE A 100 -9.912 -3.339 0.120 1.00 0.00 N ATOM 380 CA ILE A 100 -9.409 -3.502 1.479 1.00 0.00 C ATOM 381 C ILE A 100 -10.011 -2.388 2.330 1.00 0.00 C ATOM 382 O ILE A 100 -10.156 -1.260 1.856 1.00 0.00 O ATOM 383 CB ILE A 100 -7.867 -3.426 1.501 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.397 -2.008 1.855 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.328 -3.775 0.115 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.889 -1.895 1.624 1.00 0.00 C ATOM 0 H ILE A 100 -9.789 -2.402 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.693 -4.478 1.873 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.499 -4.127 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.925 -1.276 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.634 -1.785 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.239 -3.723 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.641 -4.784 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.719 -3.067 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.557 -0.888 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.369 -2.617 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.665 -2.100 0.577 1.00 0.00 H new ATOM 398 N SER A 101 -10.378 -2.682 3.568 1.00 0.00 N ATOM 399 CA SER A 101 -10.970 -1.652 4.412 1.00 0.00 C ATOM 400 C SER A 101 -9.991 -0.497 4.591 1.00 0.00 C ATOM 401 O SER A 101 -8.805 -0.708 4.828 1.00 0.00 O ATOM 402 CB SER A 101 -11.334 -2.234 5.779 1.00 0.00 C ATOM 403 OG SER A 101 -12.313 -3.250 5.612 1.00 0.00 O ATOM 0 H SER A 101 -10.281 -3.599 4.003 1.00 0.00 H new ATOM 0 HA SER A 101 -11.875 -1.284 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.446 -2.644 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.716 -1.449 6.431 1.00 0.00 H new ATOM 0 HG SER A 101 -12.547 -3.626 6.486 1.00 0.00 H new ATOM 409 N ALA A 102 -10.495 0.724 4.474 1.00 0.00 N ATOM 410 CA ALA A 102 -9.654 1.908 4.625 1.00 0.00 C ATOM 411 C ALA A 102 -9.083 2.000 6.040 1.00 0.00 C ATOM 412 O ALA A 102 -7.952 2.445 6.232 1.00 0.00 O ATOM 413 CB ALA A 102 -10.453 3.173 4.305 1.00 0.00 C ATOM 0 H ALA A 102 -11.476 0.922 4.276 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.825 1.821 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.813 4.047 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.816 3.124 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.300 3.250 4.986 1.00 0.00 H new ATOM 419 N ALA A 103 -9.882 1.607 7.028 1.00 0.00 N ATOM 420 CA ALA A 103 -9.456 1.680 8.424 1.00 0.00 C ATOM 421 C ALA A 103 -8.208 0.839 8.694 1.00 0.00 C ATOM 422 O ALA A 103 -7.315 1.271 9.423 1.00 0.00 O ATOM 423 CB ALA A 103 -10.589 1.197 9.333 1.00 0.00 C ATOM 0 H ALA A 103 -10.822 1.237 6.890 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.211 2.721 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.269 1.252 10.374 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.466 1.829 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.840 0.166 9.085 1.00 0.00 H new ATOM 429 N GLU A 104 -8.146 -0.361 8.125 1.00 0.00 N ATOM 430 CA GLU A 104 -6.990 -1.226 8.350 1.00 0.00 C ATOM 431 C GLU A 104 -5.751 -0.637 7.687 1.00 0.00 C ATOM 432 O GLU A 104 -4.635 -0.793 8.182 1.00 0.00 O ATOM 433 CB GLU A 104 -7.263 -2.637 7.816 1.00 0.00 C ATOM 434 CG GLU A 104 -6.781 -2.772 6.370 1.00 0.00 C ATOM 435 CD GLU A 104 -7.377 -4.027 5.744 1.00 0.00 C ATOM 436 OE1 GLU A 104 -7.542 -5.001 6.460 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.661 -3.997 4.560 1.00 0.00 O ATOM 0 H GLU A 104 -8.866 -0.752 7.517 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.811 -1.293 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.758 -3.372 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.330 -2.851 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.074 -1.893 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.693 -2.822 6.343 1.00 0.00 H new ATOM 444 N LEU A 105 -5.957 0.054 6.570 1.00 0.00 N ATOM 445 CA LEU A 105 -4.845 0.674 5.859 1.00 0.00 C ATOM 446 C LEU A 105 -4.176 1.709 6.757 1.00 0.00 C ATOM 447 O LEU A 105 -2.952 1.747 6.878 1.00 0.00 O ATOM 448 CB LEU A 105 -5.347 1.345 4.579 1.00 0.00 C ATOM 449 CG LEU A 105 -4.182 2.034 3.866 1.00 0.00 C ATOM 450 CD1 LEU A 105 -4.202 1.660 2.382 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.326 3.551 4.007 1.00 0.00 C ATOM 0 H LEU A 105 -6.872 0.198 6.142 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.120 -0.095 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.800 0.603 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.121 2.074 4.819 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.241 1.713 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.373 2.150 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.105 0.579 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.143 1.984 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.497 4.044 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.267 3.870 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.317 3.821 5.063 1.00 0.00 H new ATOM 463 N ARG A 106 -4.998 2.556 7.368 1.00 0.00 N ATOM 464 CA ARG A 106 -4.490 3.608 8.241 1.00 0.00 C ATOM 465 C ARG A 106 -3.621 3.005 9.344 1.00 0.00 C ATOM 466 O ARG A 106 -2.490 3.437 9.559 1.00 0.00 O ATOM 467 CB ARG A 106 -5.687 4.348 8.857 1.00 0.00 C ATOM 468 CG ARG A 106 -5.234 5.430 9.847 1.00 0.00 C ATOM 469 CD ARG A 106 -4.391 6.473 9.135 1.00 0.00 C ATOM 470 NE ARG A 106 -4.341 7.697 9.928 1.00 0.00 N ATOM 471 CZ ARG A 106 -3.628 7.769 11.047 1.00 0.00 C ATOM 472 NH1 ARG A 106 -2.977 6.722 11.477 1.00 0.00 N ATOM 473 NH2 ARG A 106 -3.587 8.885 11.723 1.00 0.00 N ATOM 0 H ARG A 106 -6.014 2.535 7.276 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.878 4.303 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.280 4.804 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.333 3.634 9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.104 5.904 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.659 4.977 10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.383 6.091 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.811 6.683 8.152 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.865 8.515 9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.015 5.847 10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.430 6.779 12.336 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.102 9.701 11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.040 8.941 12.582 1.00 0.00 H new ATOM 487 N HIS A 107 -4.147 1.994 10.027 1.00 0.00 N ATOM 488 CA HIS A 107 -3.401 1.326 11.091 1.00 0.00 C ATOM 489 C HIS A 107 -2.148 0.647 10.535 1.00 0.00 C ATOM 490 O HIS A 107 -1.060 0.757 11.096 1.00 0.00 O ATOM 491 CB HIS A 107 -4.303 0.287 11.761 1.00 0.00 C ATOM 492 CG HIS A 107 -3.522 -0.491 12.783 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.085 0.077 13.969 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.110 -1.799 12.816 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.440 -0.880 14.661 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.425 -2.044 14.004 1.00 0.00 N ATOM 0 H HIS A 107 -5.082 1.620 9.865 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.087 2.071 11.822 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.149 0.782 12.238 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.711 -0.390 11.011 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.226 1.043 14.263 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.289 -2.528 12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.989 -0.726 15.630 1.00 0.00 H new ATOM 505 N VAL A 108 -2.335 -0.067 9.434 1.00 0.00 N ATOM 506 CA VAL A 108 -1.257 -0.800 8.774 1.00 0.00 C ATOM 507 C VAL A 108 -0.148 0.137 8.279 1.00 0.00 C ATOM 508 O VAL A 108 1.037 -0.175 8.402 1.00 0.00 O ATOM 509 CB VAL A 108 -1.863 -1.570 7.593 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.773 -2.195 6.717 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.771 -2.677 8.130 1.00 0.00 C ATOM 0 H VAL A 108 -3.239 -0.156 8.970 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.799 -1.483 9.490 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.433 -0.869 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.235 -2.733 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.128 -1.410 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.179 -2.888 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.205 -3.228 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.187 -3.357 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.569 -2.236 8.727 1.00 0.00 H new ATOM 521 N MET A 109 -0.538 1.273 7.710 1.00 0.00 N ATOM 522 CA MET A 109 0.438 2.234 7.189 1.00 0.00 C ATOM 523 C MET A 109 1.169 2.963 8.309 1.00 0.00 C ATOM 524 O MET A 109 2.303 3.403 8.124 1.00 0.00 O ATOM 525 CB MET A 109 -0.245 3.265 6.286 1.00 0.00 C ATOM 526 CG MET A 109 -0.179 2.805 4.827 1.00 0.00 C ATOM 527 SD MET A 109 -0.578 1.042 4.717 1.00 0.00 S ATOM 528 CE MET A 109 -0.292 0.858 2.939 1.00 0.00 C ATOM 0 H MET A 109 -1.512 1.553 7.597 1.00 0.00 H new ATOM 0 HA MET A 109 1.166 1.663 6.612 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.284 3.395 6.589 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.242 4.234 6.393 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.878 3.383 4.222 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.817 2.987 4.424 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.483 -0.174 2.645 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.962 1.521 2.392 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.742 1.116 2.708 1.00 0.00 H new ATOM 538 N THR A 110 0.515 3.114 9.458 1.00 0.00 N ATOM 539 CA THR A 110 1.127 3.826 10.575 1.00 0.00 C ATOM 540 C THR A 110 1.610 2.871 11.666 1.00 0.00 C ATOM 541 O THR A 110 2.377 3.274 12.539 1.00 0.00 O ATOM 542 CB THR A 110 0.123 4.819 11.165 1.00 0.00 C ATOM 543 OG1 THR A 110 -1.000 4.115 11.678 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.333 5.785 10.071 1.00 0.00 C ATOM 0 H THR A 110 -0.424 2.759 9.638 1.00 0.00 H new ATOM 0 HA THR A 110 1.998 4.358 10.192 1.00 0.00 H new ATOM 0 HB THR A 110 0.595 5.378 11.973 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.606 3.885 10.943 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.048 6.494 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.529 6.326 9.681 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.805 5.224 9.264 1.00 0.00 H new ATOM 552 N ASN A 111 1.137 1.621 11.640 1.00 0.00 N ATOM 553 CA ASN A 111 1.527 0.648 12.665 1.00 0.00 C ATOM 554 C ASN A 111 2.464 -0.436 12.123 1.00 0.00 C ATOM 555 O ASN A 111 3.487 -0.740 12.738 1.00 0.00 O ATOM 556 CB ASN A 111 0.279 -0.019 13.248 1.00 0.00 C ATOM 557 CG ASN A 111 0.611 -0.646 14.597 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.392 -0.087 15.367 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.063 -1.782 14.931 1.00 0.00 N ATOM 0 H ASN A 111 0.494 1.263 10.933 1.00 0.00 H new ATOM 0 HA ASN A 111 2.066 1.198 13.436 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.517 0.717 13.365 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.090 -0.782 12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.281 -2.208 15.831 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.584 -2.244 14.292 1.00 0.00 H new ATOM 566 N LEU A 112 2.104 -1.037 10.990 1.00 0.00 N ATOM 567 CA LEU A 112 2.919 -2.108 10.410 1.00 0.00 C ATOM 568 C LEU A 112 3.918 -1.573 9.390 1.00 0.00 C ATOM 569 O LEU A 112 3.584 -0.712 8.577 1.00 0.00 O ATOM 570 CB LEU A 112 2.017 -3.126 9.711 1.00 0.00 C ATOM 571 CG LEU A 112 1.120 -3.840 10.728 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.075 -4.666 9.976 1.00 0.00 C ATOM 573 CD2 LEU A 112 1.956 -4.778 11.613 1.00 0.00 C ATOM 0 H LEU A 112 1.264 -0.806 10.459 1.00 0.00 H new ATOM 0 HA LEU A 112 3.469 -2.574 11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.401 -2.623 8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.627 -3.857 9.180 1.00 0.00 H new ATOM 0 HG LEU A 112 0.635 -3.095 11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.568 -5.178 10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.529 -4.007 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.576 -5.402 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.305 -5.278 12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.449 -5.524 10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.708 -4.199 12.148 1.00 0.00 H new ATOM 585 N GLY A 113 5.137 -2.116 9.422 1.00 0.00 N ATOM 586 CA GLY A 113 6.179 -1.715 8.481 1.00 0.00 C ATOM 587 C GLY A 113 6.446 -0.222 8.555 1.00 0.00 C ATOM 588 O GLY A 113 5.518 0.570 8.411 1.00 0.00 O ATOM 0 H GLY A 113 5.424 -2.833 10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.097 -2.262 8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.879 -1.983 7.468 1.00 0.00 H new ATOM 592 N GLU A 114 7.720 0.142 8.778 1.00 0.00 N ATOM 593 CA GLU A 114 8.138 1.549 8.870 1.00 0.00 C ATOM 594 C GLU A 114 6.927 2.471 8.933 1.00 0.00 C ATOM 595 O GLU A 114 6.327 2.805 7.914 1.00 0.00 O ATOM 596 CB GLU A 114 9.035 1.890 7.668 1.00 0.00 C ATOM 597 CG GLU A 114 8.990 3.390 7.357 1.00 0.00 C ATOM 598 CD GLU A 114 10.246 3.796 6.594 1.00 0.00 C ATOM 599 OE1 GLU A 114 11.278 3.944 7.228 1.00 0.00 O ATOM 600 OE2 GLU A 114 10.159 3.953 5.387 1.00 0.00 O ATOM 0 H GLU A 114 8.482 -0.525 8.898 1.00 0.00 H new ATOM 0 HA GLU A 114 8.706 1.698 9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.061 1.589 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.710 1.324 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.104 3.622 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.915 3.961 8.283 1.00 0.00 H new ATOM 607 N LYS A 115 6.526 2.817 10.147 1.00 0.00 N ATOM 608 CA LYS A 115 5.341 3.636 10.351 1.00 0.00 C ATOM 609 C LYS A 115 5.404 4.931 9.544 1.00 0.00 C ATOM 610 O LYS A 115 6.433 5.605 9.501 1.00 0.00 O ATOM 611 CB LYS A 115 5.224 3.975 11.838 1.00 0.00 C ATOM 612 CG LYS A 115 5.145 2.681 12.655 1.00 0.00 C ATOM 613 CD LYS A 115 4.939 3.022 14.134 1.00 0.00 C ATOM 614 CE LYS A 115 4.869 1.733 14.956 1.00 0.00 C ATOM 615 NZ LYS A 115 6.176 1.023 14.878 1.00 0.00 N ATOM 0 H LYS A 115 7.004 2.543 11.006 1.00 0.00 H new ATOM 0 HA LYS A 115 4.472 3.071 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.083 4.566 12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.337 4.583 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.323 2.061 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.060 2.102 12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.757 3.648 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.021 3.596 14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.630 1.964 15.994 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.072 1.092 14.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.257 0.357 15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.234 0.501 13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.951 1.715 14.927 1.00 0.00 H new ATOM 629 N LEU A 116 4.277 5.280 8.924 1.00 0.00 N ATOM 630 CA LEU A 116 4.184 6.509 8.138 1.00 0.00 C ATOM 631 C LEU A 116 3.710 7.647 9.042 1.00 0.00 C ATOM 632 O LEU A 116 3.089 7.401 10.075 1.00 0.00 O ATOM 633 CB LEU A 116 3.182 6.334 6.983 1.00 0.00 C ATOM 634 CG LEU A 116 3.858 5.772 5.719 1.00 0.00 C ATOM 635 CD1 LEU A 116 4.874 6.772 5.169 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.570 4.455 6.037 1.00 0.00 C ATOM 0 H LEU A 116 3.418 4.730 8.951 1.00 0.00 H new ATOM 0 HA LEU A 116 5.166 6.739 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.381 5.664 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.722 7.295 6.752 1.00 0.00 H new ATOM 0 HG LEU A 116 3.085 5.594 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.343 6.360 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.368 7.703 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.637 6.967 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.043 4.070 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.330 4.627 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.845 3.729 6.405 1.00 0.00 H new ATOM 648 N THR A 117 3.989 8.889 8.654 1.00 0.00 N ATOM 649 CA THR A 117 3.562 10.034 9.451 1.00 0.00 C ATOM 650 C THR A 117 2.203 10.529 8.971 1.00 0.00 C ATOM 651 O THR A 117 1.711 10.098 7.929 1.00 0.00 O ATOM 652 CB THR A 117 4.590 11.162 9.341 1.00 0.00 C ATOM 653 OG1 THR A 117 4.653 11.616 7.997 1.00 0.00 O ATOM 654 CG2 THR A 117 5.964 10.649 9.774 1.00 0.00 C ATOM 0 H THR A 117 4.502 9.126 7.805 1.00 0.00 H new ATOM 0 HA THR A 117 3.481 9.724 10.493 1.00 0.00 H new ATOM 0 HB THR A 117 4.293 11.987 9.989 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.162 10.974 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.695 11.454 9.695 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.915 10.304 10.807 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.264 9.823 9.129 1.00 0.00 H new ATOM 662 N ASP A 118 1.592 11.425 9.738 1.00 0.00 N ATOM 663 CA ASP A 118 0.280 11.951 9.377 1.00 0.00 C ATOM 664 C ASP A 118 0.317 12.602 7.996 1.00 0.00 C ATOM 665 O ASP A 118 -0.594 12.415 7.190 1.00 0.00 O ATOM 666 CB ASP A 118 -0.169 12.983 10.412 1.00 0.00 C ATOM 667 CG ASP A 118 -1.569 13.484 10.073 1.00 0.00 C ATOM 668 OD1 ASP A 118 -2.061 13.132 9.014 1.00 0.00 O ATOM 669 OD2 ASP A 118 -2.127 14.212 10.877 1.00 0.00 O ATOM 0 H ASP A 118 1.979 11.799 10.605 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.426 11.121 9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.164 12.539 11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.531 13.819 10.432 1.00 0.00 H new ATOM 674 N GLU A 119 1.368 13.368 7.728 1.00 0.00 N ATOM 675 CA GLU A 119 1.494 14.039 6.437 1.00 0.00 C ATOM 676 C GLU A 119 1.579 13.017 5.308 1.00 0.00 C ATOM 677 O GLU A 119 0.954 13.184 4.260 1.00 0.00 O ATOM 678 CB GLU A 119 2.747 14.917 6.423 1.00 0.00 C ATOM 679 CG GLU A 119 2.564 16.091 7.387 1.00 0.00 C ATOM 680 CD GLU A 119 1.517 17.055 6.842 1.00 0.00 C ATOM 681 OE1 GLU A 119 1.218 16.969 5.662 1.00 0.00 O ATOM 682 OE2 GLU A 119 1.028 17.866 7.611 1.00 0.00 O ATOM 0 H GLU A 119 2.136 13.539 8.377 1.00 0.00 H new ATOM 0 HA GLU A 119 0.612 14.661 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.618 14.329 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.932 15.287 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.257 15.724 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.512 16.611 7.524 1.00 0.00 H new ATOM 689 N GLU A 120 2.334 11.949 5.535 1.00 0.00 N ATOM 690 CA GLU A 120 2.463 10.899 4.534 1.00 0.00 C ATOM 691 C GLU A 120 1.150 10.136 4.403 1.00 0.00 C ATOM 692 O GLU A 120 0.721 9.808 3.298 1.00 0.00 O ATOM 693 CB GLU A 120 3.608 9.957 4.908 1.00 0.00 C ATOM 694 CG GLU A 120 4.935 10.700 4.709 1.00 0.00 C ATOM 695 CD GLU A 120 6.114 9.826 5.125 1.00 0.00 C ATOM 696 OE1 GLU A 120 6.191 9.488 6.295 1.00 0.00 O ATOM 697 OE2 GLU A 120 6.921 9.508 4.269 1.00 0.00 O ATOM 0 H GLU A 120 2.861 11.788 6.394 1.00 0.00 H new ATOM 0 HA GLU A 120 2.693 11.350 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.508 9.632 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.579 9.061 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.042 10.989 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.934 11.619 5.295 1.00 0.00 H new ATOM 704 N VAL A 121 0.501 9.881 5.536 1.00 0.00 N ATOM 705 CA VAL A 121 -0.780 9.182 5.547 1.00 0.00 C ATOM 706 C VAL A 121 -1.850 10.005 4.828 1.00 0.00 C ATOM 707 O VAL A 121 -2.617 9.482 4.030 1.00 0.00 O ATOM 708 CB VAL A 121 -1.198 8.945 7.009 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.641 8.456 7.097 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.297 7.882 7.640 1.00 0.00 C ATOM 0 H VAL A 121 0.842 10.149 6.459 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.677 8.230 5.026 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.104 9.894 7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.908 8.297 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.305 9.203 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.741 7.518 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.597 7.718 8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.390 6.949 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.739 8.220 7.612 1.00 0.00 H new ATOM 720 N ASP A 122 -1.912 11.295 5.121 1.00 0.00 N ATOM 721 CA ASP A 122 -2.919 12.144 4.498 1.00 0.00 C ATOM 722 C ASP A 122 -2.817 12.058 2.981 1.00 0.00 C ATOM 723 O ASP A 122 -3.828 11.941 2.288 1.00 0.00 O ATOM 724 CB ASP A 122 -2.734 13.594 4.950 1.00 0.00 C ATOM 725 CG ASP A 122 -3.826 14.471 4.349 1.00 0.00 C ATOM 726 OD1 ASP A 122 -4.600 13.959 3.557 1.00 0.00 O ATOM 727 OD2 ASP A 122 -3.875 15.641 4.690 1.00 0.00 O ATOM 0 H ASP A 122 -1.290 11.771 5.774 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.906 11.798 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.768 13.651 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.754 13.957 4.642 1.00 0.00 H new ATOM 732 N GLU A 123 -1.595 12.090 2.472 1.00 0.00 N ATOM 733 CA GLU A 123 -1.380 11.985 1.037 1.00 0.00 C ATOM 734 C GLU A 123 -1.896 10.634 0.550 1.00 0.00 C ATOM 735 O GLU A 123 -2.481 10.526 -0.529 1.00 0.00 O ATOM 736 CB GLU A 123 0.114 12.124 0.717 1.00 0.00 C ATOM 737 CG GLU A 123 0.336 12.068 -0.798 1.00 0.00 C ATOM 738 CD GLU A 123 -0.346 13.254 -1.474 1.00 0.00 C ATOM 739 OE1 GLU A 123 -0.619 14.224 -0.788 1.00 0.00 O ATOM 740 OE2 GLU A 123 -0.585 13.173 -2.668 1.00 0.00 O ATOM 0 H GLU A 123 -0.744 12.187 3.026 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.920 12.784 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.492 13.066 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.674 11.326 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.404 12.080 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.061 11.135 -1.197 1.00 0.00 H new ATOM 747 N MET A 124 -1.679 9.610 1.368 1.00 0.00 N ATOM 748 CA MET A 124 -2.121 8.256 1.051 1.00 0.00 C ATOM 749 C MET A 124 -3.648 8.155 1.094 1.00 0.00 C ATOM 750 O MET A 124 -4.256 7.469 0.273 1.00 0.00 O ATOM 751 CB MET A 124 -1.517 7.294 2.075 1.00 0.00 C ATOM 752 CG MET A 124 0.001 7.279 1.911 1.00 0.00 C ATOM 753 SD MET A 124 0.461 6.077 0.644 1.00 0.00 S ATOM 754 CE MET A 124 0.299 4.607 1.689 1.00 0.00 C ATOM 0 H MET A 124 -1.196 9.693 2.262 1.00 0.00 H new ATOM 0 HA MET A 124 -1.791 8.000 0.044 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.783 7.605 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.921 6.291 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.357 8.271 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.477 7.024 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.262 4.100 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.025 4.904 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.438 3.931 1.255 1.00 0.00 H new ATOM 764 N ILE A 125 -4.258 8.834 2.068 1.00 0.00 N ATOM 765 CA ILE A 125 -5.713 8.804 2.222 1.00 0.00 C ATOM 766 C ILE A 125 -6.405 9.424 1.010 1.00 0.00 C ATOM 767 O ILE A 125 -7.456 8.951 0.578 1.00 0.00 O ATOM 768 CB ILE A 125 -6.119 9.520 3.523 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.447 8.480 4.607 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.335 10.428 3.307 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.196 7.673 4.957 1.00 0.00 C ATOM 0 H ILE A 125 -3.771 9.407 2.757 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.036 7.765 2.285 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.280 10.140 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.828 8.980 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.233 7.812 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.595 10.918 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.097 11.183 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.179 9.830 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.439 6.939 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.834 7.159 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.422 8.345 5.329 1.00 0.00 H new ATOM 783 N ARG A 126 -5.813 10.479 0.465 1.00 0.00 N ATOM 784 CA ARG A 126 -6.390 11.146 -0.699 1.00 0.00 C ATOM 785 C ARG A 126 -6.363 10.224 -1.913 1.00 0.00 C ATOM 786 O ARG A 126 -7.191 10.343 -2.817 1.00 0.00 O ATOM 787 CB ARG A 126 -5.614 12.423 -1.017 1.00 0.00 C ATOM 788 CG ARG A 126 -5.863 13.455 0.080 1.00 0.00 C ATOM 789 CD ARG A 126 -5.247 14.789 -0.328 1.00 0.00 C ATOM 790 NE ARG A 126 -5.519 15.791 0.693 1.00 0.00 N ATOM 791 CZ ARG A 126 -4.686 15.992 1.710 1.00 0.00 C ATOM 792 NH1 ARG A 126 -3.586 15.294 1.810 1.00 0.00 N ATOM 793 NH2 ARG A 126 -4.969 16.889 2.615 1.00 0.00 N ATOM 0 H ARG A 126 -4.943 10.889 0.804 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.424 11.399 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.549 12.205 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.926 12.820 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -6.934 13.573 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.429 13.114 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.171 14.677 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.657 15.111 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.368 16.352 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.362 14.591 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.951 15.452 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.828 17.434 2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.331 17.045 3.396 1.00 0.00 H new ATOM 807 N GLU A 127 -5.405 9.306 -1.924 1.00 0.00 N ATOM 808 CA GLU A 127 -5.271 8.363 -3.029 1.00 0.00 C ATOM 809 C GLU A 127 -5.956 7.034 -2.708 1.00 0.00 C ATOM 810 O GLU A 127 -6.031 6.145 -3.555 1.00 0.00 O ATOM 811 CB GLU A 127 -3.791 8.120 -3.323 1.00 0.00 C ATOM 812 CG GLU A 127 -3.121 9.444 -3.694 1.00 0.00 C ATOM 813 CD GLU A 127 -3.680 9.960 -5.016 1.00 0.00 C ATOM 814 OE1 GLU A 127 -4.233 9.163 -5.754 1.00 0.00 O ATOM 815 OE2 GLU A 127 -3.548 11.146 -5.270 1.00 0.00 O ATOM 0 H GLU A 127 -4.712 9.194 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.755 8.794 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.303 7.685 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.684 7.405 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.289 10.179 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.043 9.305 -3.775 1.00 0.00 H new ATOM 822 N ALA A 128 -6.435 6.897 -1.476 1.00 0.00 N ATOM 823 CA ALA A 128 -7.091 5.661 -1.054 1.00 0.00 C ATOM 824 C ALA A 128 -8.575 5.660 -1.436 1.00 0.00 C ATOM 825 O ALA A 128 -8.968 4.959 -2.365 1.00 0.00 O ATOM 826 CB ALA A 128 -6.928 5.494 0.459 1.00 0.00 C ATOM 0 H ALA A 128 -6.383 7.618 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.620 4.822 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.416 4.573 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.868 5.448 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.384 6.342 0.970 1.00 0.00 H new ATOM 832 N ASP A 129 -9.388 6.451 -0.724 1.00 0.00 N ATOM 833 CA ASP A 129 -10.829 6.536 -1.010 1.00 0.00 C ATOM 834 C ASP A 129 -11.591 7.129 0.179 1.00 0.00 C ATOM 835 O ASP A 129 -11.673 8.347 0.331 1.00 0.00 O ATOM 836 CB ASP A 129 -11.404 5.149 -1.354 1.00 0.00 C ATOM 837 CG ASP A 129 -11.481 4.968 -2.868 1.00 0.00 C ATOM 838 OD1 ASP A 129 -11.966 5.870 -3.531 1.00 0.00 O ATOM 839 OD2 ASP A 129 -11.057 3.926 -3.341 1.00 0.00 O ATOM 0 H ASP A 129 -9.077 7.038 0.050 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.954 7.193 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.778 4.370 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -12.397 5.041 -0.917 1.00 0.00 H new ATOM 844 N ILE A 130 -12.161 6.257 1.005 1.00 0.00 N ATOM 845 CA ILE A 130 -12.936 6.670 2.165 1.00 0.00 C ATOM 846 C ILE A 130 -14.135 7.514 1.753 1.00 0.00 C ATOM 847 O ILE A 130 -15.055 7.025 1.099 1.00 0.00 O ATOM 848 CB ILE A 130 -12.077 7.452 3.156 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.886 6.595 3.579 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.917 7.779 4.395 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.899 7.450 4.375 1.00 0.00 C ATOM 0 H ILE A 130 -12.097 5.246 0.887 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.293 5.762 2.651 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.723 8.371 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -11.226 5.755 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.395 6.177 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.311 8.338 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.779 8.379 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.260 6.853 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -9.049 6.838 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.550 8.275 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.394 7.847 5.262 1.00 0.00 H new ATOM 894 N GLY A 134 -15.460 4.026 3.821 1.00 0.00 N ATOM 895 CA GLY A 134 -14.248 3.573 4.502 1.00 0.00 C ATOM 896 C GLY A 134 -13.600 2.349 3.848 1.00 0.00 C ATOM 897 O GLY A 134 -12.965 1.549 4.537 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.526 4.389 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.490 3.336 5.538 1.00 0.00 H new ATOM 901 N GLN A 135 -13.727 2.218 2.528 1.00 0.00 N ATOM 902 CA GLN A 135 -13.105 1.094 1.816 1.00 0.00 C ATOM 903 C GLN A 135 -12.110 1.623 0.796 1.00 0.00 C ATOM 904 O GLN A 135 -12.278 2.725 0.273 1.00 0.00 O ATOM 905 CB GLN A 135 -14.147 0.241 1.095 1.00 0.00 C ATOM 906 CG GLN A 135 -15.179 1.147 0.426 1.00 0.00 C ATOM 907 CD GLN A 135 -15.601 0.557 -0.916 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.241 1.086 -1.967 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.344 -0.516 -0.944 1.00 0.00 N ATOM 0 H GLN A 135 -14.246 2.864 1.934 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.599 0.472 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.663 -0.388 0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.639 -0.426 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -16.049 1.260 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.760 2.142 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -16.641 -0.953 -0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -16.627 -0.917 -1.838 1.00 0.00 H new ATOM 918 N VAL A 136 -11.068 0.844 0.524 1.00 0.00 N ATOM 919 CA VAL A 136 -10.042 1.254 -0.425 1.00 0.00 C ATOM 920 C VAL A 136 -9.722 0.155 -1.426 1.00 0.00 C ATOM 921 O VAL A 136 -9.540 -1.006 -1.060 1.00 0.00 O ATOM 922 CB VAL A 136 -8.773 1.639 0.331 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.609 1.777 -0.653 1.00 0.00 C ATOM 924 CG2 VAL A 136 -9.004 2.973 1.038 1.00 0.00 C ATOM 0 H VAL A 136 -10.913 -0.071 0.946 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.426 2.110 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.532 0.868 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.705 2.052 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.451 0.828 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.842 2.550 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.103 3.258 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.240 3.740 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.834 2.875 1.738 1.00 0.00 H new ATOM 934 N ASN A 137 -9.628 0.542 -2.692 1.00 0.00 N ATOM 935 CA ASN A 137 -9.295 -0.402 -3.746 1.00 0.00 C ATOM 936 C ASN A 137 -7.794 -0.356 -4.015 1.00 0.00 C ATOM 937 O ASN A 137 -7.282 0.638 -4.531 1.00 0.00 O ATOM 938 CB ASN A 137 -10.048 -0.048 -5.027 1.00 0.00 C ATOM 939 CG ASN A 137 -10.477 1.415 -4.993 1.00 0.00 C ATOM 940 OD1 ASN A 137 -9.685 2.303 -5.309 1.00 0.00 O ATOM 941 ND2 ASN A 137 -11.689 1.722 -4.620 1.00 0.00 N ATOM 0 H ASN A 137 -9.777 1.499 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.583 -1.404 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.413 -0.229 -5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -10.923 -0.690 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -11.981 2.699 -4.590 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -12.344 0.985 -4.358 1.00 0.00 H new ATOM 948 N TYR A 138 -7.087 -1.417 -3.648 1.00 0.00 N ATOM 949 CA TYR A 138 -5.642 -1.451 -3.845 1.00 0.00 C ATOM 950 C TYR A 138 -5.273 -1.306 -5.316 1.00 0.00 C ATOM 951 O TYR A 138 -4.104 -1.113 -5.644 1.00 0.00 O ATOM 952 CB TYR A 138 -5.049 -2.753 -3.298 1.00 0.00 C ATOM 953 CG TYR A 138 -5.680 -3.943 -3.980 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.182 -4.402 -5.204 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.753 -4.599 -3.372 1.00 0.00 C ATOM 956 CE1 TYR A 138 -5.762 -5.519 -5.820 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.334 -5.713 -3.984 1.00 0.00 C ATOM 958 CZ TYR A 138 -6.839 -6.175 -5.208 1.00 0.00 C ATOM 959 OH TYR A 138 -7.411 -7.275 -5.814 1.00 0.00 O ATOM 0 H TYR A 138 -7.482 -2.254 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.225 -0.606 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.971 -2.764 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.214 -2.812 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.351 -3.896 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.135 -4.244 -2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.380 -5.874 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.165 -6.217 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.770 -7.876 -5.129 1.00 0.00 H new ATOM 969 N GLU A 139 -6.254 -1.404 -6.205 1.00 0.00 N ATOM 970 CA GLU A 139 -5.955 -1.286 -7.626 1.00 0.00 C ATOM 971 C GLU A 139 -5.327 0.075 -7.915 1.00 0.00 C ATOM 972 O GLU A 139 -4.290 0.158 -8.574 1.00 0.00 O ATOM 973 CB GLU A 139 -7.235 -1.449 -8.447 1.00 0.00 C ATOM 974 CG GLU A 139 -7.701 -2.905 -8.376 1.00 0.00 C ATOM 975 CD GLU A 139 -9.070 -3.049 -9.030 1.00 0.00 C ATOM 976 OE1 GLU A 139 -9.693 -2.031 -9.284 1.00 0.00 O ATOM 977 OE2 GLU A 139 -9.476 -4.174 -9.267 1.00 0.00 O ATOM 0 H GLU A 139 -7.236 -1.560 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.252 -2.071 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.012 -0.788 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.055 -1.163 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.980 -3.551 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.750 -3.229 -7.336 1.00 0.00 H new ATOM 984 N GLU A 140 -5.961 1.141 -7.434 1.00 0.00 N ATOM 985 CA GLU A 140 -5.448 2.489 -7.669 1.00 0.00 C ATOM 986 C GLU A 140 -4.043 2.637 -7.095 1.00 0.00 C ATOM 987 O GLU A 140 -3.166 3.221 -7.730 1.00 0.00 O ATOM 988 CB GLU A 140 -6.381 3.521 -7.028 1.00 0.00 C ATOM 989 CG GLU A 140 -5.879 4.934 -7.338 1.00 0.00 C ATOM 990 CD GLU A 140 -6.847 5.967 -6.773 1.00 0.00 C ATOM 991 OE1 GLU A 140 -7.830 5.564 -6.175 1.00 0.00 O ATOM 992 OE2 GLU A 140 -6.589 7.147 -6.945 1.00 0.00 O ATOM 0 H GLU A 140 -6.820 1.100 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.404 2.660 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -7.395 3.394 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.422 3.368 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.888 5.079 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.782 5.066 -8.416 1.00 0.00 H new ATOM 999 N PHE A 141 -3.826 2.090 -5.905 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.507 2.164 -5.291 1.00 0.00 C ATOM 1001 C PHE A 141 -1.487 1.440 -6.164 1.00 0.00 C ATOM 1002 O PHE A 141 -0.381 1.923 -6.370 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.524 1.546 -3.891 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.706 2.631 -2.854 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.697 3.586 -2.672 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.862 2.677 -2.062 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.842 4.584 -1.701 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -4.005 3.676 -1.094 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.995 4.628 -0.911 1.00 0.00 C ATOM 0 H PHE A 141 -4.531 1.599 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.227 3.214 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.332 0.818 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.593 1.009 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.806 3.552 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.641 1.942 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.064 5.320 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.897 3.713 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.106 5.396 -0.160 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.870 0.291 -6.698 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.968 -0.454 -7.564 1.00 0.00 C ATOM 1021 C VAL A 142 -0.655 0.355 -8.814 1.00 0.00 C ATOM 1022 O VAL A 142 0.488 0.389 -9.269 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.564 -1.809 -7.931 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.732 -2.447 -9.045 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.513 -2.710 -6.698 1.00 0.00 C ATOM 0 H VAL A 142 -2.782 -0.141 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.038 -0.633 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.592 -1.683 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.157 -3.416 -9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.738 -1.798 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.293 -2.582 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.936 -3.685 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.478 -2.833 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.089 -2.256 -5.892 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.669 1.020 -9.361 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.461 1.834 -10.548 1.00 0.00 C ATOM 1037 C GLN A 143 -0.451 2.929 -10.232 1.00 0.00 C ATOM 1038 O GLN A 143 0.426 3.231 -11.039 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.782 2.466 -10.998 1.00 0.00 C ATOM 1040 CG GLN A 143 -3.710 1.387 -11.548 1.00 0.00 C ATOM 1041 CD GLN A 143 -3.155 0.849 -12.859 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -3.031 1.590 -13.835 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -2.790 -0.396 -12.932 1.00 0.00 N ATOM 0 H GLN A 143 -2.626 1.011 -9.007 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.084 1.203 -11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.257 2.974 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -2.593 3.220 -11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.810 0.577 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.707 1.798 -11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.894 -1.006 -12.121 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.399 -0.763 -13.800 1.00 0.00 H new ATOM 1052 N MET A 144 -0.577 3.511 -9.042 1.00 0.00 N ATOM 1053 CA MET A 144 0.338 4.564 -8.619 1.00 0.00 C ATOM 1054 C MET A 144 1.761 4.017 -8.583 1.00 0.00 C ATOM 1055 O MET A 144 2.697 4.655 -9.066 1.00 0.00 O ATOM 1056 CB MET A 144 -0.053 5.043 -7.219 1.00 0.00 C ATOM 1057 CG MET A 144 -1.379 5.799 -7.281 1.00 0.00 C ATOM 1058 SD MET A 144 -2.102 5.874 -5.622 1.00 0.00 S ATOM 1059 CE MET A 144 -0.748 6.749 -4.805 1.00 0.00 C ATOM 0 H MET A 144 -1.297 3.273 -8.360 1.00 0.00 H new ATOM 0 HA MET A 144 0.284 5.396 -9.321 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.141 4.191 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.726 5.690 -6.815 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.219 6.806 -7.667 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.064 5.300 -7.967 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.100 7.164 -3.861 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.070 6.055 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.396 7.556 -5.447 1.00 0.00 H new ATOM 1069 N MET A 145 1.914 2.829 -8.002 1.00 0.00 N ATOM 1070 CA MET A 145 3.223 2.196 -7.899 1.00 0.00 C ATOM 1071 C MET A 145 3.683 1.649 -9.248 1.00 0.00 C ATOM 1072 O MET A 145 4.858 1.323 -9.417 1.00 0.00 O ATOM 1073 CB MET A 145 3.173 1.051 -6.871 1.00 0.00 C ATOM 1074 CG MET A 145 3.329 1.598 -5.443 1.00 0.00 C ATOM 1075 SD MET A 145 1.797 2.396 -4.912 1.00 0.00 S ATOM 1076 CE MET A 145 1.617 1.499 -3.352 1.00 0.00 C ATOM 0 H MET A 145 1.150 2.288 -7.597 1.00 0.00 H new ATOM 0 HA MET A 145 3.936 2.953 -7.574 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.227 0.516 -6.960 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.966 0.333 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.581 0.787 -4.760 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.152 2.312 -5.407 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.716 1.836 -2.840 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.541 0.430 -3.553 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.485 1.689 -2.721 1.00 0.00 H new ATOM 1214 N ASP B 35 0.820 -11.155 13.481 1.00 0.00 N ATOM 1215 CA ASP B 35 1.897 -11.885 14.140 1.00 0.00 C ATOM 1216 C ASP B 35 2.794 -12.599 13.129 1.00 0.00 C ATOM 1217 O ASP B 35 3.731 -13.298 13.514 1.00 0.00 O ATOM 1218 CB ASP B 35 1.307 -12.910 15.113 1.00 0.00 C ATOM 1219 CG ASP B 35 0.549 -13.988 14.343 1.00 0.00 C ATOM 1220 OD1 ASP B 35 0.534 -13.920 13.124 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -0.003 -14.867 14.984 1.00 0.00 O ATOM 0 HA ASP B 35 2.507 -11.163 14.683 1.00 0.00 H new ATOM 0 HB2 ASP B 35 2.104 -13.365 15.702 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.636 -12.413 15.814 1.00 0.00 H new ATOM 1226 N ALA B 36 2.507 -12.422 11.841 1.00 0.00 N ATOM 1227 CA ALA B 36 3.310 -13.063 10.801 1.00 0.00 C ATOM 1228 C ALA B 36 4.284 -12.056 10.180 1.00 0.00 C ATOM 1229 O ALA B 36 3.977 -10.866 10.099 1.00 0.00 O ATOM 1230 CB ALA B 36 2.397 -13.627 9.711 1.00 0.00 C ATOM 0 H ALA B 36 1.737 -11.849 11.496 1.00 0.00 H new ATOM 0 HA ALA B 36 3.880 -13.874 11.255 1.00 0.00 H new ATOM 0 HB1 ALA B 36 3.002 -14.103 8.940 1.00 0.00 H new ATOM 0 HB2 ALA B 36 1.721 -14.363 10.147 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.816 -12.818 9.268 1.00 0.00 H new ATOM 1236 N PRO B 37 5.444 -12.497 9.743 1.00 0.00 N ATOM 1237 CA PRO B 37 6.460 -11.597 9.123 1.00 0.00 C ATOM 1238 C PRO B 37 6.018 -11.062 7.764 1.00 0.00 C ATOM 1239 O PRO B 37 6.433 -9.980 7.347 1.00 0.00 O ATOM 1240 CB PRO B 37 7.697 -12.478 8.982 1.00 0.00 C ATOM 1241 CG PRO B 37 7.165 -13.860 8.905 1.00 0.00 C ATOM 1242 CD PRO B 37 5.917 -13.889 9.781 1.00 0.00 C ATOM 0 HA PRO B 37 6.631 -10.708 9.731 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.266 -12.222 8.088 1.00 0.00 H new ATOM 0 HB3 PRO B 37 8.368 -12.358 9.833 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.924 -14.127 7.876 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.903 -14.581 9.256 1.00 0.00 H new ATOM 0 HD2 PRO B 37 5.168 -14.579 9.392 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.147 -14.208 10.798 1.00 0.00 H new ATOM 1250 N GLU B 38 5.180 -11.829 7.076 1.00 0.00 N ATOM 1251 CA GLU B 38 4.693 -11.425 5.763 1.00 0.00 C ATOM 1252 C GLU B 38 3.869 -10.144 5.860 1.00 0.00 C ATOM 1253 O GLU B 38 3.973 -9.264 5.006 1.00 0.00 O ATOM 1254 CB GLU B 38 3.832 -12.538 5.162 1.00 0.00 C ATOM 1255 CG GLU B 38 4.719 -13.725 4.785 1.00 0.00 C ATOM 1256 CD GLU B 38 3.856 -14.904 4.345 1.00 0.00 C ATOM 1257 OE1 GLU B 38 2.654 -14.840 4.548 1.00 0.00 O ATOM 1258 OE2 GLU B 38 4.408 -15.851 3.810 1.00 0.00 O ATOM 0 H GLU B 38 4.826 -12.728 7.403 1.00 0.00 H new ATOM 0 HA GLU B 38 5.555 -11.240 5.122 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.073 -12.851 5.879 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.306 -12.170 4.281 1.00 0.00 H new ATOM 0 HG2 GLU B 38 5.398 -13.441 3.981 1.00 0.00 H new ATOM 0 HG3 GLU B 38 5.336 -14.013 5.636 1.00 0.00 H new ATOM 1265 N THR B 39 3.040 -10.051 6.898 1.00 0.00 N ATOM 1266 CA THR B 39 2.196 -8.874 7.081 1.00 0.00 C ATOM 1267 C THR B 39 3.039 -7.617 7.280 1.00 0.00 C ATOM 1268 O THR B 39 2.821 -6.606 6.614 1.00 0.00 O ATOM 1269 CB THR B 39 1.284 -9.079 8.293 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.454 -10.210 8.071 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.412 -7.840 8.496 1.00 0.00 C ATOM 0 H THR B 39 2.936 -10.767 7.617 1.00 0.00 H new ATOM 0 HA THR B 39 1.593 -8.742 6.182 1.00 0.00 H new ATOM 0 HB THR B 39 1.894 -9.241 9.182 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.130 -10.345 8.846 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.236 -7.989 9.360 1.00 0.00 H new ATOM 0 HG22 THR B 39 1.048 -6.971 8.665 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.198 -7.675 7.608 1.00 0.00 H new ATOM 1279 N GLU B 40 4.011 -7.688 8.185 1.00 0.00 N ATOM 1280 CA GLU B 40 4.881 -6.545 8.437 1.00 0.00 C ATOM 1281 C GLU B 40 5.735 -6.268 7.207 1.00 0.00 C ATOM 1282 O GLU B 40 5.913 -5.121 6.798 1.00 0.00 O ATOM 1283 CB GLU B 40 5.781 -6.826 9.643 1.00 0.00 C ATOM 1284 CG GLU B 40 6.650 -5.601 9.938 1.00 0.00 C ATOM 1285 CD GLU B 40 7.495 -5.850 11.182 1.00 0.00 C ATOM 1286 OE1 GLU B 40 7.373 -6.923 11.751 1.00 0.00 O ATOM 1287 OE2 GLU B 40 8.250 -4.965 11.549 1.00 0.00 O ATOM 0 H GLU B 40 4.214 -8.513 8.749 1.00 0.00 H new ATOM 0 HA GLU B 40 4.266 -5.671 8.651 1.00 0.00 H new ATOM 0 HB2 GLU B 40 5.172 -7.070 10.514 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.412 -7.692 9.443 1.00 0.00 H new ATOM 0 HG2 GLU B 40 7.296 -5.389 9.086 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.019 -4.724 10.086 1.00 0.00 H new ATOM 1294 N ARG B 41 6.249 -7.341 6.623 1.00 0.00 N ATOM 1295 CA ARG B 41 7.083 -7.245 5.433 1.00 0.00 C ATOM 1296 C ARG B 41 6.299 -6.627 4.279 1.00 0.00 C ATOM 1297 O ARG B 41 6.804 -5.761 3.565 1.00 0.00 O ATOM 1298 CB ARG B 41 7.571 -8.652 5.064 1.00 0.00 C ATOM 1299 CG ARG B 41 8.306 -8.674 3.713 1.00 0.00 C ATOM 1300 CD ARG B 41 9.538 -7.762 3.750 1.00 0.00 C ATOM 1301 NE ARG B 41 10.338 -7.947 2.546 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.352 -7.136 2.265 1.00 0.00 C ATOM 1303 NH1 ARG B 41 11.642 -6.150 3.071 1.00 0.00 N ATOM 1304 NH2 ARG B 41 12.059 -7.322 1.185 1.00 0.00 N ATOM 0 H ARG B 41 6.102 -8.294 6.956 1.00 0.00 H new ATOM 0 HA ARG B 41 7.939 -6.601 5.633 1.00 0.00 H new ATOM 0 HB2 ARG B 41 8.237 -9.021 5.844 1.00 0.00 H new ATOM 0 HB3 ARG B 41 6.720 -9.332 5.024 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.609 -9.694 3.475 1.00 0.00 H new ATOM 0 HG3 ARG B 41 7.631 -8.349 2.921 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.226 -6.721 3.832 1.00 0.00 H new ATOM 0 HD3 ARG B 41 10.138 -7.985 4.632 1.00 0.00 H new ATOM 0 HE ARG B 41 10.116 -8.712 1.909 1.00 0.00 H new ATOM 0 HH11 ARG B 41 11.090 -6.003 3.916 1.00 0.00 H new ATOM 0 HH12 ARG B 41 12.421 -5.527 2.855 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.834 -8.091 0.554 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.837 -6.698 0.971 1.00 0.00 H new ATOM 1318 N ALA B 42 5.063 -7.082 4.101 1.00 0.00 N ATOM 1319 CA ALA B 42 4.220 -6.568 3.027 1.00 0.00 C ATOM 1320 C ALA B 42 3.991 -5.072 3.201 1.00 0.00 C ATOM 1321 O ALA B 42 4.002 -4.316 2.229 1.00 0.00 O ATOM 1322 CB ALA B 42 2.875 -7.297 3.024 1.00 0.00 C ATOM 0 H ALA B 42 4.626 -7.799 4.680 1.00 0.00 H new ATOM 0 HA ALA B 42 4.726 -6.740 2.077 1.00 0.00 H new ATOM 0 HB1 ALA B 42 2.252 -6.907 2.219 1.00 0.00 H new ATOM 0 HB2 ALA B 42 3.040 -8.364 2.871 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.374 -7.140 3.979 1.00 0.00 H new ATOM 1328 N ALA B 43 3.788 -4.650 4.445 1.00 0.00 N ATOM 1329 CA ALA B 43 3.563 -3.238 4.728 1.00 0.00 C ATOM 1330 C ALA B 43 4.777 -2.414 4.307 1.00 0.00 C ATOM 1331 O ALA B 43 4.640 -1.335 3.735 1.00 0.00 O ATOM 1332 CB ALA B 43 3.306 -3.041 6.224 1.00 0.00 C ATOM 0 H ALA B 43 3.775 -5.258 5.264 1.00 0.00 H new ATOM 0 HA ALA B 43 2.693 -2.904 4.163 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.139 -1.983 6.428 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.426 -3.611 6.520 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.170 -3.388 6.790 1.00 0.00 H new ATOM 1338 N VAL B 44 5.964 -2.936 4.595 1.00 0.00 N ATOM 1339 CA VAL B 44 7.203 -2.245 4.247 1.00 0.00 C ATOM 1340 C VAL B 44 7.347 -2.091 2.733 1.00 0.00 C ATOM 1341 O VAL B 44 7.741 -1.032 2.249 1.00 0.00 O ATOM 1342 CB VAL B 44 8.401 -3.020 4.796 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.695 -2.421 4.242 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.412 -2.927 6.323 1.00 0.00 C ATOM 0 H VAL B 44 6.096 -3.831 5.066 1.00 0.00 H new ATOM 0 HA VAL B 44 7.170 -1.250 4.692 1.00 0.00 H new ATOM 0 HB VAL B 44 8.325 -4.065 4.494 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.549 -2.974 4.634 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.689 -2.486 3.154 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.770 -1.376 4.543 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.266 -3.479 6.715 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.487 -1.882 6.623 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.491 -3.353 6.720 1.00 0.00 H new ATOM 1354 N ALA B 45 7.048 -3.156 1.991 1.00 0.00 N ATOM 1355 CA ALA B 45 7.175 -3.111 0.534 1.00 0.00 C ATOM 1356 C ALA B 45 6.269 -2.041 -0.065 1.00 0.00 C ATOM 1357 O ALA B 45 6.703 -1.254 -0.906 1.00 0.00 O ATOM 1358 CB ALA B 45 6.816 -4.475 -0.059 1.00 0.00 C ATOM 0 H ALA B 45 6.721 -4.047 2.366 1.00 0.00 H new ATOM 0 HA ALA B 45 8.208 -2.862 0.291 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.912 -4.437 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.491 -5.233 0.338 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.789 -4.728 0.206 1.00 0.00 H new ATOM 1364 N ILE B 46 5.018 -2.001 0.377 1.00 0.00 N ATOM 1365 CA ILE B 46 4.083 -1.002 -0.126 1.00 0.00 C ATOM 1366 C ILE B 46 4.546 0.394 0.269 1.00 0.00 C ATOM 1367 O ILE B 46 4.563 1.314 -0.548 1.00 0.00 O ATOM 1368 CB ILE B 46 2.685 -1.264 0.435 1.00 0.00 C ATOM 1369 CG1 ILE B 46 2.134 -2.556 -0.170 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.764 -0.097 0.076 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.880 -2.986 0.591 1.00 0.00 C ATOM 0 H ILE B 46 4.631 -2.639 1.073 1.00 0.00 H new ATOM 0 HA ILE B 46 4.048 -1.069 -1.213 1.00 0.00 H new ATOM 0 HB ILE B 46 2.737 -1.361 1.519 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.898 -2.404 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.888 -3.342 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.767 -0.284 0.476 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.160 0.824 0.504 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.707 0.002 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.489 -3.907 0.158 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.130 -3.155 1.638 1.00 0.00 H new ATOM 0 HD13 ILE B 46 0.125 -2.203 0.520 1.00 0.00 H new ATOM 1383 N GLN B 47 4.921 0.533 1.534 1.00 0.00 N ATOM 1384 CA GLN B 47 5.390 1.810 2.057 1.00 0.00 C ATOM 1385 C GLN B 47 6.688 2.246 1.388 1.00 0.00 C ATOM 1386 O GLN B 47 6.870 3.422 1.078 1.00 0.00 O ATOM 1387 CB GLN B 47 5.624 1.682 3.557 1.00 0.00 C ATOM 1388 CG GLN B 47 4.282 1.566 4.285 1.00 0.00 C ATOM 1389 CD GLN B 47 4.531 1.220 5.744 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.665 1.309 6.210 1.00 0.00 O ATOM 1391 NE2 GLN B 47 3.539 0.826 6.494 1.00 0.00 N ATOM 0 H GLN B 47 4.910 -0.224 2.218 1.00 0.00 H new ATOM 0 HA GLN B 47 4.628 2.561 1.849 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.237 0.805 3.765 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.173 2.549 3.924 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.732 2.504 4.210 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.666 0.798 3.817 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.600 0.754 6.102 1.00 0.00 H new ATOM 0 HE22 GLN B 47 3.702 0.590 7.473 1.00 0.00 H new ATOM 1400 N SER B 48 7.594 1.297 1.180 1.00 0.00 N ATOM 1401 CA SER B 48 8.873 1.611 0.559 1.00 0.00 C ATOM 1402 C SER B 48 8.660 2.145 -0.848 1.00 0.00 C ATOM 1403 O SER B 48 9.280 3.131 -1.249 1.00 0.00 O ATOM 1404 CB SER B 48 9.751 0.361 0.508 1.00 0.00 C ATOM 1405 OG SER B 48 10.083 -0.033 1.833 1.00 0.00 O ATOM 0 H SER B 48 7.468 0.316 1.429 1.00 0.00 H new ATOM 0 HA SER B 48 9.371 2.375 1.156 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.226 -0.446 -0.003 1.00 0.00 H new ATOM 0 HB3 SER B 48 10.658 0.562 -0.062 1.00 0.00 H new ATOM 0 HG SER B 48 9.264 -0.260 2.321 1.00 0.00 H new ATOM 1411 N GLN B 49 7.772 1.498 -1.592 1.00 0.00 N ATOM 1412 CA GLN B 49 7.479 1.931 -2.948 1.00 0.00 C ATOM 1413 C GLN B 49 6.776 3.286 -2.913 1.00 0.00 C ATOM 1414 O GLN B 49 7.017 4.149 -3.758 1.00 0.00 O ATOM 1415 CB GLN B 49 6.591 0.912 -3.659 1.00 0.00 C ATOM 1416 CG GLN B 49 6.584 1.218 -5.158 1.00 0.00 C ATOM 1417 CD GLN B 49 7.932 0.850 -5.771 1.00 0.00 C ATOM 1418 OE1 GLN B 49 8.652 1.723 -6.256 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.317 -0.397 -5.778 1.00 0.00 N ATOM 0 H GLN B 49 7.248 0.680 -1.282 1.00 0.00 H new ATOM 0 HA GLN B 49 8.417 2.018 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.961 -0.098 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.577 0.954 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.787 0.659 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.378 2.276 -5.321 1.00 0.00 H new ATOM 0 HE21 GLN B 49 7.718 -1.118 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.217 -0.651 -6.186 1.00 0.00 H new ATOM 1428 N PHE B 50 5.898 3.456 -1.924 1.00 0.00 N ATOM 1429 CA PHE B 50 5.149 4.700 -1.773 1.00 0.00 C ATOM 1430 C PHE B 50 6.087 5.888 -1.597 1.00 0.00 C ATOM 1431 O PHE B 50 5.929 6.916 -2.255 1.00 0.00 O ATOM 1432 CB PHE B 50 4.195 4.608 -0.572 1.00 0.00 C ATOM 1433 CG PHE B 50 3.568 5.963 -0.323 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.786 6.564 -1.319 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.773 6.625 0.901 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.217 7.822 -1.101 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.198 7.886 1.116 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.424 8.484 0.114 1.00 0.00 C ATOM 0 H PHE B 50 5.690 2.749 -1.219 1.00 0.00 H new ATOM 0 HA PHE B 50 4.567 4.852 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.420 3.866 -0.765 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.738 4.278 0.314 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.623 6.054 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.371 6.164 1.673 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.617 8.283 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.352 8.396 2.055 1.00 0.00 H new ATOM 0 HZ PHE B 50 1.986 9.457 0.279 1.00 0.00 H new ATOM 1448 N ARG B 51 7.061 5.750 -0.707 1.00 0.00 N ATOM 1449 CA ARG B 51 8.006 6.833 -0.467 1.00 0.00 C ATOM 1450 C ARG B 51 8.750 7.184 -1.754 1.00 0.00 C ATOM 1451 O ARG B 51 8.894 8.357 -2.097 1.00 0.00 O ATOM 1452 CB ARG B 51 9.006 6.417 0.614 1.00 0.00 C ATOM 1453 CG ARG B 51 9.976 7.569 0.886 1.00 0.00 C ATOM 1454 CD ARG B 51 10.871 7.210 2.072 1.00 0.00 C ATOM 1455 NE ARG B 51 10.081 7.131 3.295 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.629 6.751 4.444 1.00 0.00 C ATOM 1457 NH1 ARG B 51 11.896 6.441 4.490 1.00 0.00 N ATOM 1458 NH2 ARG B 51 9.902 6.688 5.525 1.00 0.00 N ATOM 0 H ARG B 51 7.217 4.912 -0.147 1.00 0.00 H new ATOM 0 HA ARG B 51 7.455 7.711 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG B 51 8.478 6.149 1.529 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.557 5.533 0.294 1.00 0.00 H new ATOM 0 HG2 ARG B 51 10.584 7.763 0.003 1.00 0.00 H new ATOM 0 HG3 ARG B 51 9.422 8.483 1.098 1.00 0.00 H new ATOM 0 HD2 ARG B 51 11.365 6.256 1.888 1.00 0.00 H new ATOM 0 HD3 ARG B 51 11.655 7.959 2.185 1.00 0.00 H new ATOM 0 HE ARG B 51 9.090 7.372 3.268 1.00 0.00 H new ATOM 0 HH11 ARG B 51 12.464 6.491 3.644 1.00 0.00 H new ATOM 0 HH12 ARG B 51 12.318 6.149 5.372 1.00 0.00 H new ATOM 0 HH21 ARG B 51 8.912 6.931 5.489 1.00 0.00 H new ATOM 0 HH22 ARG B 51 10.324 6.396 6.407 1.00 0.00 H new ATOM 1472 N LYS B 52 9.207 6.160 -2.467 1.00 0.00 N ATOM 1473 CA LYS B 52 9.921 6.372 -3.722 1.00 0.00 C ATOM 1474 C LYS B 52 9.007 7.064 -4.730 1.00 0.00 C ATOM 1475 O LYS B 52 9.433 7.953 -5.468 1.00 0.00 O ATOM 1476 CB LYS B 52 10.399 5.030 -4.286 1.00 0.00 C ATOM 1477 CG LYS B 52 11.198 5.264 -5.573 1.00 0.00 C ATOM 1478 CD LYS B 52 11.718 3.925 -6.100 1.00 0.00 C ATOM 1479 CE LYS B 52 12.542 4.162 -7.366 1.00 0.00 C ATOM 1480 NZ LYS B 52 11.669 4.734 -8.429 1.00 0.00 N ATOM 0 H LYS B 52 9.097 5.182 -2.200 1.00 0.00 H new ATOM 0 HA LYS B 52 10.787 7.006 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS B 52 11.018 4.516 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.544 4.385 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS B 52 10.568 5.742 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS B 52 12.031 5.939 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS B 52 12.329 3.436 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS B 52 10.883 3.258 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.367 4.842 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS B 52 12.981 3.225 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 12.110 4.584 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 10.741 4.265 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 11.545 5.754 -8.265 1.00 0.00 H new ATOM 1494 N PHE B 53 7.749 6.641 -4.749 1.00 0.00 N ATOM 1495 CA PHE B 53 6.760 7.207 -5.662 1.00 0.00 C ATOM 1496 C PHE B 53 6.616 8.709 -5.434 1.00 0.00 C ATOM 1497 O PHE B 53 6.548 9.486 -6.385 1.00 0.00 O ATOM 1498 CB PHE B 53 5.406 6.525 -5.451 1.00 0.00 C ATOM 1499 CG PHE B 53 4.385 7.113 -6.395 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.316 6.667 -7.720 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.500 8.101 -5.942 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.364 7.209 -8.593 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.549 8.642 -6.815 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.481 8.196 -8.141 1.00 0.00 C ATOM 0 H PHE B 53 7.387 5.906 -4.141 1.00 0.00 H new ATOM 0 HA PHE B 53 7.098 7.038 -6.684 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.498 5.452 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.079 6.656 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.997 5.905 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.552 8.445 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE B 53 3.311 6.865 -9.615 1.00 0.00 H new ATOM 0 HE2 PHE B 53 1.867 9.404 -6.466 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.747 8.614 -8.814 1.00 0.00 H new ATOM 1514 N GLN B 54 6.554 9.109 -4.167 1.00 0.00 N ATOM 1515 CA GLN B 54 6.397 10.520 -3.829 1.00 0.00 C ATOM 1516 C GLN B 54 7.559 11.342 -4.379 1.00 0.00 C ATOM 1517 O GLN B 54 7.362 12.449 -4.880 1.00 0.00 O ATOM 1518 CB GLN B 54 6.337 10.688 -2.309 1.00 0.00 C ATOM 1519 CG GLN B 54 5.027 10.104 -1.778 1.00 0.00 C ATOM 1520 CD GLN B 54 4.972 10.244 -0.260 1.00 0.00 C ATOM 1521 OE1 GLN B 54 5.883 9.801 0.438 1.00 0.00 O ATOM 1522 NE2 GLN B 54 3.952 10.842 0.294 1.00 0.00 N ATOM 0 H GLN B 54 6.609 8.482 -3.364 1.00 0.00 H new ATOM 0 HA GLN B 54 5.469 10.876 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.185 10.186 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN B 54 6.409 11.744 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN B 54 4.180 10.619 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN B 54 4.947 9.054 -2.058 1.00 0.00 H new ATOM 0 HE21 GLN B 54 3.198 11.208 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN B 54 3.909 10.943 1.308 1.00 0.00 H new ATOM 1531 N LYS B 55 8.770 10.800 -4.291 1.00 0.00 N ATOM 1532 CA LYS B 55 9.943 11.507 -4.793 1.00 0.00 C ATOM 1533 C LYS B 55 9.830 11.738 -6.297 1.00 0.00 C ATOM 1534 O LYS B 55 10.194 12.800 -6.799 1.00 0.00 O ATOM 1535 CB LYS B 55 11.215 10.714 -4.489 1.00 0.00 C ATOM 1536 CG LYS B 55 11.506 10.764 -2.989 1.00 0.00 C ATOM 1537 CD LYS B 55 12.783 9.977 -2.689 1.00 0.00 C ATOM 1538 CE LYS B 55 13.157 10.144 -1.215 1.00 0.00 C ATOM 1539 NZ LYS B 55 12.076 9.585 -0.357 1.00 0.00 N ATOM 0 H LYS B 55 8.964 9.886 -3.882 1.00 0.00 H new ATOM 0 HA LYS B 55 9.996 12.473 -4.291 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.096 9.680 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.055 11.128 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS B 55 11.619 11.798 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS B 55 10.669 10.345 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.634 8.922 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.597 10.330 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.098 9.635 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS B 55 13.308 11.199 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 11.561 10.363 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 11.418 9.033 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 12.493 8.969 0.369 1.00 0.00 H new