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: B 49 GLN : amide:sc= -2.26! C(o=-2.3!,f=-2.8!) USER MOD Set 1.2: B 52 LYS NZ :NH3+ -142:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -4.96! C(o=-8!,f=-8.4!) USER MOD Set 2.2: A 111 ASN : amide:sc= -3.08! C(o=-8!,f=-8.4!) USER MOD Single : A 81 SER OG : rot 28:sc= 0.0568 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 0.302 (180deg=0.0521) USER MOD Single : A 97 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.8!) 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 173:sc= -1.42 (180deg=-1.51) USER MOD Single : A 110 THR OG1 : rot -65:sc= 0.859 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 169:sc= -1.97! USER MOD Single : A 124 MET CE :methyl -111:sc= -0.0631 (180deg=-0.417) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.22 F(o=-3.8!,f=-1.2) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.351 USER MOD Single : A 143 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 144 MET CE :methyl 164:sc= -0.037 (180deg=-0.626) USER MOD Single : A 145 MET CE :methyl -133:sc= -0.0592 (180deg=-1.85!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN :FLIP amide:sc= -8.58! C(o=-13!,f=-8.6!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 54 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.8!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 5.789 -8.693 -11.688 1.00 0.00 N ATOM 81 CA SER A 81 5.966 -8.521 -10.246 1.00 0.00 C ATOM 82 C SER A 81 4.740 -7.865 -9.624 1.00 0.00 C ATOM 83 O SER A 81 4.630 -7.772 -8.404 1.00 0.00 O ATOM 84 CB SER A 81 7.199 -7.665 -9.964 1.00 0.00 C ATOM 85 OG SER A 81 8.358 -8.340 -10.432 1.00 0.00 O ATOM 0 HA SER A 81 6.100 -9.508 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.104 -6.697 -10.457 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.284 -7.471 -8.895 1.00 0.00 H new ATOM 0 HG SER A 81 8.116 -8.925 -11.180 1.00 0.00 H new ATOM 91 N GLU A 82 3.823 -7.402 -10.461 1.00 0.00 N ATOM 92 CA GLU A 82 2.624 -6.752 -9.949 1.00 0.00 C ATOM 93 C GLU A 82 1.918 -7.680 -8.977 1.00 0.00 C ATOM 94 O GLU A 82 1.312 -7.240 -8.004 1.00 0.00 O ATOM 95 CB GLU A 82 1.683 -6.405 -11.104 1.00 0.00 C ATOM 96 CG GLU A 82 1.140 -7.689 -11.735 1.00 0.00 C ATOM 97 CD GLU A 82 0.409 -7.365 -13.033 1.00 0.00 C ATOM 98 OE1 GLU A 82 0.355 -6.197 -13.384 1.00 0.00 O ATOM 99 OE2 GLU A 82 -0.087 -8.290 -13.657 1.00 0.00 O ATOM 0 H GLU A 82 3.882 -7.462 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 82 2.908 -5.834 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.859 -5.791 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.213 -5.817 -11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.959 -8.381 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.462 -8.186 -11.041 1.00 0.00 H new ATOM 106 N GLU A 83 2.022 -8.968 -9.249 1.00 0.00 N ATOM 107 CA GLU A 83 1.405 -9.974 -8.396 1.00 0.00 C ATOM 108 C GLU A 83 2.077 -9.990 -7.027 1.00 0.00 C ATOM 109 O GLU A 83 1.429 -10.234 -6.008 1.00 0.00 O ATOM 110 CB GLU A 83 1.536 -11.353 -9.042 1.00 0.00 C ATOM 111 CG GLU A 83 3.007 -11.781 -9.041 1.00 0.00 C ATOM 112 CD GLU A 83 3.203 -12.976 -9.967 1.00 0.00 C ATOM 113 OE1 GLU A 83 3.030 -12.809 -11.162 1.00 0.00 O ATOM 114 OE2 GLU A 83 3.525 -14.041 -9.466 1.00 0.00 O ATOM 0 H GLU A 83 2.526 -9.344 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 83 0.350 -9.728 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.934 -12.080 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.155 -11.326 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.636 -10.952 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.318 -12.040 -8.029 1.00 0.00 H new ATOM 121 N GLU A 84 3.380 -9.730 -7.013 1.00 0.00 N ATOM 122 CA GLU A 84 4.133 -9.717 -5.766 1.00 0.00 C ATOM 123 C GLU A 84 3.619 -8.607 -4.849 1.00 0.00 C ATOM 124 O GLU A 84 3.401 -8.819 -3.655 1.00 0.00 O ATOM 125 CB GLU A 84 5.623 -9.506 -6.069 1.00 0.00 C ATOM 126 CG GLU A 84 6.439 -9.565 -4.773 1.00 0.00 C ATOM 127 CD GLU A 84 6.336 -10.953 -4.150 1.00 0.00 C ATOM 128 OE1 GLU A 84 5.992 -11.879 -4.867 1.00 0.00 O ATOM 129 OE2 GLU A 84 6.601 -11.071 -2.965 1.00 0.00 O ATOM 0 H GLU A 84 3.933 -9.527 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 84 4.002 -10.673 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.973 -10.271 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.770 -8.542 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.482 -9.328 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.075 -8.815 -4.071 1.00 0.00 H new ATOM 136 N ILE A 85 3.420 -7.424 -5.423 1.00 0.00 N ATOM 137 CA ILE A 85 2.926 -6.285 -4.659 1.00 0.00 C ATOM 138 C ILE A 85 1.490 -6.527 -4.202 1.00 0.00 C ATOM 139 O ILE A 85 1.129 -6.206 -3.072 1.00 0.00 O ATOM 140 CB ILE A 85 2.996 -5.008 -5.504 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.460 -4.634 -5.777 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.324 -3.863 -4.742 1.00 0.00 C ATOM 143 CD1 ILE A 85 5.027 -3.809 -4.614 1.00 0.00 C ATOM 0 H ILE A 85 3.592 -7.230 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 85 3.557 -6.164 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 85 2.486 -5.180 -6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.054 -5.538 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.530 -4.064 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.371 -2.952 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.282 -4.117 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.840 -3.704 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.065 -3.552 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.443 -2.896 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.975 -4.393 -3.695 1.00 0.00 H new ATOM 155 N ARG A 86 0.677 -7.098 -5.089 1.00 0.00 N ATOM 156 CA ARG A 86 -0.721 -7.380 -4.771 1.00 0.00 C ATOM 157 C ARG A 86 -0.830 -8.334 -3.589 1.00 0.00 C ATOM 158 O ARG A 86 -1.740 -8.214 -2.771 1.00 0.00 O ATOM 159 CB ARG A 86 -1.434 -7.978 -5.988 1.00 0.00 C ATOM 160 CG ARG A 86 -1.637 -6.892 -7.047 1.00 0.00 C ATOM 161 CD ARG A 86 -2.128 -7.530 -8.347 1.00 0.00 C ATOM 162 NE ARG A 86 -3.418 -8.179 -8.138 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.954 -8.960 -9.071 1.00 0.00 C ATOM 164 NH1 ARG A 86 -3.324 -9.157 -10.197 1.00 0.00 N ATOM 165 NH2 ARG A 86 -5.109 -9.529 -8.861 1.00 0.00 N ATOM 0 H ARG A 86 0.961 -7.373 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.201 -6.439 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.846 -8.798 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.396 -8.395 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.361 -6.157 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.702 -6.360 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.218 -6.769 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.399 -8.260 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.917 -8.031 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.421 -8.712 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.735 -9.756 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.601 -9.375 -7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.520 -10.128 -9.577 1.00 0.00 H new ATOM 179 N GLU A 87 0.099 -9.278 -3.499 1.00 0.00 N ATOM 180 CA GLU A 87 0.073 -10.235 -2.400 1.00 0.00 C ATOM 181 C GLU A 87 0.069 -9.484 -1.077 1.00 0.00 C ATOM 182 O GLU A 87 -0.653 -9.844 -0.147 1.00 0.00 O ATOM 183 CB GLU A 87 1.297 -11.154 -2.474 1.00 0.00 C ATOM 184 CG GLU A 87 1.192 -12.248 -1.403 1.00 0.00 C ATOM 185 CD GLU A 87 1.606 -11.700 -0.039 1.00 0.00 C ATOM 186 OE1 GLU A 87 2.403 -10.777 -0.004 1.00 0.00 O ATOM 187 OE2 GLU A 87 1.118 -12.215 0.954 1.00 0.00 O ATOM 0 H GLU A 87 0.866 -9.401 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.828 -10.844 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.364 -11.606 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.208 -10.574 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.170 -12.623 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.829 -13.091 -1.672 1.00 0.00 H new ATOM 194 N ALA A 88 0.868 -8.429 -1.006 1.00 0.00 N ATOM 195 CA ALA A 88 0.942 -7.616 0.202 1.00 0.00 C ATOM 196 C ALA A 88 -0.424 -7.016 0.532 1.00 0.00 C ATOM 197 O ALA A 88 -0.788 -6.898 1.703 1.00 0.00 O ATOM 198 CB ALA A 88 1.965 -6.493 0.018 1.00 0.00 C ATOM 0 H ALA A 88 1.472 -8.116 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 88 1.253 -8.257 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.012 -5.892 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.946 -6.924 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.666 -5.862 -0.820 1.00 0.00 H new ATOM 204 N PHE A 89 -1.194 -6.666 -0.498 1.00 0.00 N ATOM 205 CA PHE A 89 -2.530 -6.118 -0.279 1.00 0.00 C ATOM 206 C PHE A 89 -3.513 -7.237 0.062 1.00 0.00 C ATOM 207 O PHE A 89 -4.367 -7.081 0.934 1.00 0.00 O ATOM 208 CB PHE A 89 -3.001 -5.350 -1.517 1.00 0.00 C ATOM 209 CG PHE A 89 -2.248 -4.043 -1.599 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.715 -2.925 -0.898 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.083 -3.949 -2.368 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.016 -1.714 -0.965 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.382 -2.737 -2.436 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.850 -1.621 -1.734 1.00 0.00 C ATOM 0 H PHE A 89 -0.921 -6.751 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.489 -5.425 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.828 -5.942 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.073 -5.164 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.615 -2.997 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.723 -4.811 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.376 -0.852 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.518 -2.665 -3.029 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.311 -0.687 -1.785 1.00 0.00 H new ATOM 224 N ARG A 90 -3.400 -8.358 -0.651 1.00 0.00 N ATOM 225 CA ARG A 90 -4.306 -9.483 -0.428 1.00 0.00 C ATOM 226 C ARG A 90 -4.397 -9.808 1.057 1.00 0.00 C ATOM 227 O ARG A 90 -5.416 -10.315 1.526 1.00 0.00 O ATOM 228 CB ARG A 90 -3.847 -10.721 -1.204 1.00 0.00 C ATOM 229 CG ARG A 90 -4.115 -10.521 -2.697 1.00 0.00 C ATOM 230 CD ARG A 90 -3.710 -11.781 -3.467 1.00 0.00 C ATOM 231 NE ARG A 90 -3.965 -11.605 -4.893 1.00 0.00 N ATOM 232 CZ ARG A 90 -3.716 -12.583 -5.760 1.00 0.00 C ATOM 233 NH1 ARG A 90 -3.238 -13.723 -5.340 1.00 0.00 N ATOM 234 NH2 ARG A 90 -3.951 -12.402 -7.031 1.00 0.00 N ATOM 0 H ARG A 90 -2.700 -8.510 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.292 -9.194 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.784 -10.895 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.375 -11.604 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.171 -10.306 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.554 -9.662 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.653 -11.992 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.269 -12.639 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.340 -10.718 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.055 -13.864 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.047 -14.472 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.325 -11.511 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.760 -13.151 -7.697 1.00 0.00 H new ATOM 248 N VAL A 91 -3.345 -9.493 1.798 1.00 0.00 N ATOM 249 CA VAL A 91 -3.342 -9.734 3.235 1.00 0.00 C ATOM 250 C VAL A 91 -4.459 -8.935 3.898 1.00 0.00 C ATOM 251 O VAL A 91 -5.120 -9.417 4.816 1.00 0.00 O ATOM 252 CB VAL A 91 -1.993 -9.337 3.838 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.090 -9.360 5.368 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.923 -10.334 3.385 1.00 0.00 C ATOM 0 H VAL A 91 -2.490 -9.074 1.433 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.507 -10.797 3.411 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.726 -8.334 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.129 -9.077 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.855 -8.656 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.355 -10.364 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.040 -10.054 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.193 -11.335 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.853 -10.324 2.297 1.00 0.00 H new ATOM 264 N PHE A 92 -4.656 -7.707 3.429 1.00 0.00 N ATOM 265 CA PHE A 92 -5.691 -6.845 3.989 1.00 0.00 C ATOM 266 C PHE A 92 -7.038 -7.084 3.300 1.00 0.00 C ATOM 267 O PHE A 92 -8.092 -6.875 3.903 1.00 0.00 O ATOM 268 CB PHE A 92 -5.286 -5.376 3.828 1.00 0.00 C ATOM 269 CG PHE A 92 -3.818 -5.194 4.167 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.269 -5.774 5.322 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.003 -4.431 3.322 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.917 -5.593 5.625 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.648 -4.253 3.629 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.106 -4.834 4.778 1.00 0.00 C ATOM 0 H PHE A 92 -4.118 -7.289 2.670 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.797 -7.084 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.473 -5.050 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.897 -4.750 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.894 -6.362 5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.419 -3.980 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.499 -6.040 6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.021 -3.665 2.976 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.061 -4.696 5.011 1.00 0.00 H new ATOM 284 N ASP A 93 -7.006 -7.534 2.046 1.00 0.00 N ATOM 285 CA ASP A 93 -8.245 -7.803 1.315 1.00 0.00 C ATOM 286 C ASP A 93 -8.715 -9.224 1.595 1.00 0.00 C ATOM 287 O ASP A 93 -8.641 -10.093 0.726 1.00 0.00 O ATOM 288 CB ASP A 93 -8.037 -7.629 -0.191 1.00 0.00 C ATOM 289 CG ASP A 93 -9.385 -7.614 -0.905 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.390 -7.470 -0.228 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.393 -7.748 -2.116 1.00 0.00 O ATOM 0 H ASP A 93 -6.151 -7.718 1.521 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.999 -7.092 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.502 -6.700 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.420 -8.440 -0.578 1.00 0.00 H new ATOM 296 N LYS A 94 -9.200 -9.460 2.809 1.00 0.00 N ATOM 297 CA LYS A 94 -9.679 -10.782 3.193 1.00 0.00 C ATOM 298 C LYS A 94 -10.980 -11.130 2.485 1.00 0.00 C ATOM 299 O LYS A 94 -11.328 -12.302 2.341 1.00 0.00 O ATOM 300 CB LYS A 94 -9.899 -10.821 4.704 1.00 0.00 C ATOM 301 CG LYS A 94 -11.006 -9.837 5.100 1.00 0.00 C ATOM 302 CD LYS A 94 -11.160 -9.831 6.623 1.00 0.00 C ATOM 303 CE LYS A 94 -12.220 -8.805 7.027 1.00 0.00 C ATOM 304 NZ LYS A 94 -13.545 -9.213 6.481 1.00 0.00 N ATOM 0 H LYS A 94 -9.272 -8.755 3.542 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.927 -11.514 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.171 -11.830 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.974 -10.567 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.762 -8.836 4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.947 -10.122 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.447 -10.822 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.207 -9.589 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.271 -8.728 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.948 -7.819 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.297 -8.673 6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.573 -9.022 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.691 -10.229 6.648 1.00 0.00 H new ATOM 318 N ASP A 95 -11.690 -10.106 2.040 1.00 0.00 N ATOM 319 CA ASP A 95 -12.952 -10.314 1.342 1.00 0.00 C ATOM 320 C ASP A 95 -12.706 -10.785 -0.087 1.00 0.00 C ATOM 321 O ASP A 95 -13.548 -11.456 -0.683 1.00 0.00 O ATOM 322 CB ASP A 95 -13.758 -9.014 1.319 1.00 0.00 C ATOM 323 CG ASP A 95 -14.269 -8.693 2.719 1.00 0.00 C ATOM 324 OD1 ASP A 95 -14.217 -9.573 3.563 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.705 -7.573 2.928 1.00 0.00 O ATOM 0 H ASP A 95 -11.418 -9.129 2.148 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.514 -11.082 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.136 -8.197 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.597 -9.109 0.629 1.00 0.00 H new ATOM 330 N GLY A 96 -11.546 -10.428 -0.630 1.00 0.00 N ATOM 331 CA GLY A 96 -11.202 -10.823 -1.990 1.00 0.00 C ATOM 332 C GLY A 96 -12.123 -10.144 -2.998 1.00 0.00 C ATOM 333 O GLY A 96 -12.395 -10.688 -4.068 1.00 0.00 O ATOM 0 H GLY A 96 -10.836 -9.872 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.166 -10.557 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.280 -11.906 -2.090 1.00 0.00 H new ATOM 337 N ASN A 97 -12.603 -8.952 -2.652 1.00 0.00 N ATOM 338 CA ASN A 97 -13.493 -8.213 -3.540 1.00 0.00 C ATOM 339 C ASN A 97 -12.716 -7.175 -4.345 1.00 0.00 C ATOM 340 O ASN A 97 -13.288 -6.466 -5.174 1.00 0.00 O ATOM 341 CB ASN A 97 -14.583 -7.516 -2.726 1.00 0.00 C ATOM 342 CG ASN A 97 -15.545 -8.549 -2.149 1.00 0.00 C ATOM 343 OD1 ASN A 97 -15.623 -9.671 -2.646 1.00 0.00 O ATOM 344 ND2 ASN A 97 -16.286 -8.234 -1.121 1.00 0.00 N ATOM 0 H ASN A 97 -12.393 -8.482 -1.772 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.950 -8.921 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.132 -6.937 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.127 -6.814 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.931 -8.919 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.219 -7.303 -0.711 1.00 0.00 H new ATOM 351 N GLY A 98 -11.412 -7.096 -4.101 1.00 0.00 N ATOM 352 CA GLY A 98 -10.569 -6.139 -4.811 1.00 0.00 C ATOM 353 C GLY A 98 -10.409 -4.843 -4.016 1.00 0.00 C ATOM 354 O GLY A 98 -9.857 -3.865 -4.520 1.00 0.00 O ATOM 0 H GLY A 98 -10.919 -7.677 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.589 -6.580 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.006 -5.919 -5.785 1.00 0.00 H new ATOM 358 N TYR A 99 -10.903 -4.839 -2.779 1.00 0.00 N ATOM 359 CA TYR A 99 -10.813 -3.645 -1.938 1.00 0.00 C ATOM 360 C TYR A 99 -10.371 -3.988 -0.520 1.00 0.00 C ATOM 361 O TYR A 99 -10.554 -5.111 -0.049 1.00 0.00 O ATOM 362 CB TYR A 99 -12.163 -2.937 -1.863 1.00 0.00 C ATOM 363 CG TYR A 99 -12.647 -2.576 -3.244 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.077 -3.580 -4.115 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.688 -1.235 -3.645 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.541 -3.251 -5.392 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.154 -0.904 -4.925 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.578 -1.912 -5.799 1.00 0.00 C ATOM 369 OH TYR A 99 -14.035 -1.585 -7.058 1.00 0.00 O ATOM 0 H TYR A 99 -11.364 -5.637 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.070 -2.992 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.892 -3.582 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.075 -2.037 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.051 -4.613 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.361 -0.458 -2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.871 -4.029 -6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.186 0.129 -5.237 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.995 -0.613 -7.178 1.00 0.00 H new ATOM 379 N ILE A 100 -9.820 -2.987 0.166 1.00 0.00 N ATOM 380 CA ILE A 100 -9.386 -3.147 1.549 1.00 0.00 C ATOM 381 C ILE A 100 -9.941 -1.977 2.354 1.00 0.00 C ATOM 382 O ILE A 100 -10.068 -0.874 1.825 1.00 0.00 O ATOM 383 CB ILE A 100 -7.846 -3.153 1.640 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.318 -1.737 1.891 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.253 -3.643 0.323 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.808 -1.710 1.652 1.00 0.00 C ATOM 0 H ILE A 100 -9.664 -2.055 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.752 -4.096 1.942 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.559 -3.810 2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.815 -1.029 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.542 -1.429 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.165 -3.645 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.606 -4.654 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.564 -2.980 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.429 -0.703 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.319 -2.407 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.597 -2.000 0.623 1.00 0.00 H new ATOM 398 N SER A 101 -10.272 -2.193 3.618 1.00 0.00 N ATOM 399 CA SER A 101 -10.805 -1.098 4.421 1.00 0.00 C ATOM 400 C SER A 101 -9.786 0.039 4.480 1.00 0.00 C ATOM 401 O SER A 101 -8.604 -0.190 4.704 1.00 0.00 O ATOM 402 CB SER A 101 -11.112 -1.587 5.837 1.00 0.00 C ATOM 403 OG SER A 101 -12.127 -2.582 5.781 1.00 0.00 O ATOM 0 H SER A 101 -10.186 -3.087 4.101 1.00 0.00 H new ATOM 0 HA SER A 101 -11.726 -0.737 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.212 -1.995 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.438 -0.754 6.459 1.00 0.00 H new ATOM 0 HG SER A 101 -12.325 -2.899 6.687 1.00 0.00 H new ATOM 409 N ALA A 102 -10.243 1.265 4.266 1.00 0.00 N ATOM 410 CA ALA A 102 -9.345 2.419 4.296 1.00 0.00 C ATOM 411 C ALA A 102 -8.751 2.621 5.694 1.00 0.00 C ATOM 412 O ALA A 102 -7.591 3.002 5.841 1.00 0.00 O ATOM 413 CB ALA A 102 -10.102 3.681 3.865 1.00 0.00 C ATOM 0 H ALA A 102 -11.219 1.489 4.071 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.526 2.231 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.427 4.536 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.483 3.549 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.935 3.856 4.546 1.00 0.00 H new ATOM 419 N ALA A 103 -9.580 2.406 6.710 1.00 0.00 N ATOM 420 CA ALA A 103 -9.163 2.610 8.100 1.00 0.00 C ATOM 421 C ALA A 103 -7.979 1.724 8.506 1.00 0.00 C ATOM 422 O ALA A 103 -7.071 2.185 9.199 1.00 0.00 O ATOM 423 CB ALA A 103 -10.342 2.328 9.034 1.00 0.00 C ATOM 0 H ALA A 103 -10.544 2.091 6.601 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.838 3.647 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.032 2.480 10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.163 3.005 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.672 1.298 8.902 1.00 0.00 H new ATOM 429 N GLU A 104 -7.991 0.459 8.098 1.00 0.00 N ATOM 430 CA GLU A 104 -6.904 -0.447 8.466 1.00 0.00 C ATOM 431 C GLU A 104 -5.604 -0.055 7.769 1.00 0.00 C ATOM 432 O GLU A 104 -4.513 -0.314 8.277 1.00 0.00 O ATOM 433 CB GLU A 104 -7.276 -1.898 8.132 1.00 0.00 C ATOM 434 CG GLU A 104 -7.131 -2.167 6.632 1.00 0.00 C ATOM 435 CD GLU A 104 -5.806 -2.869 6.338 1.00 0.00 C ATOM 436 OE1 GLU A 104 -5.453 -3.771 7.080 1.00 0.00 O ATOM 437 OE2 GLU A 104 -5.170 -2.502 5.363 1.00 0.00 O ATOM 0 H GLU A 104 -8.724 0.042 7.524 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.748 -0.367 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.636 -2.580 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.302 -2.096 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.960 -2.784 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.181 -1.227 6.082 1.00 0.00 H new ATOM 444 N LEU A 105 -5.731 0.571 6.606 1.00 0.00 N ATOM 445 CA LEU A 105 -4.557 0.997 5.847 1.00 0.00 C ATOM 446 C LEU A 105 -3.765 2.019 6.659 1.00 0.00 C ATOM 447 O LEU A 105 -2.546 1.915 6.785 1.00 0.00 O ATOM 448 CB LEU A 105 -5.002 1.620 4.513 1.00 0.00 C ATOM 449 CG LEU A 105 -3.792 2.000 3.640 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.172 0.748 3.005 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.250 2.949 2.533 1.00 0.00 C ATOM 0 H LEU A 105 -6.625 0.795 6.169 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.924 0.133 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.635 0.915 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.606 2.507 4.707 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.044 2.485 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.318 1.036 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.842 0.067 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.915 0.250 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.397 3.222 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.003 2.455 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.677 3.848 2.978 1.00 0.00 H new ATOM 463 N ARG A 106 -4.466 3.014 7.197 1.00 0.00 N ATOM 464 CA ARG A 106 -3.807 4.052 7.980 1.00 0.00 C ATOM 465 C ARG A 106 -3.057 3.435 9.156 1.00 0.00 C ATOM 466 O ARG A 106 -1.871 3.696 9.347 1.00 0.00 O ATOM 467 CB ARG A 106 -4.848 5.076 8.469 1.00 0.00 C ATOM 468 CG ARG A 106 -4.472 5.674 9.842 1.00 0.00 C ATOM 469 CD ARG A 106 -3.039 6.221 9.850 1.00 0.00 C ATOM 470 NE ARG A 106 -3.036 7.608 10.301 1.00 0.00 N ATOM 471 CZ ARG A 106 -3.011 7.911 11.596 1.00 0.00 C ATOM 472 NH1 ARG A 106 -2.994 6.960 12.489 1.00 0.00 N ATOM 473 NH2 ARG A 106 -3.004 9.161 11.974 1.00 0.00 N ATOM 0 H ARG A 106 -5.476 3.122 7.106 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.081 4.567 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.939 5.878 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.824 4.596 8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.168 6.474 10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.574 4.909 10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.414 5.615 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.610 6.154 8.850 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.053 8.359 9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.000 5.984 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.975 7.193 13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.018 9.905 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.985 9.393 12.967 1.00 0.00 H new ATOM 487 N HIS A 107 -3.739 2.602 9.934 1.00 0.00 N ATOM 488 CA HIS A 107 -3.104 1.951 11.076 1.00 0.00 C ATOM 489 C HIS A 107 -1.929 1.091 10.617 1.00 0.00 C ATOM 490 O HIS A 107 -0.850 1.118 11.207 1.00 0.00 O ATOM 491 CB HIS A 107 -4.128 1.079 11.803 1.00 0.00 C ATOM 492 CG HIS A 107 -3.447 0.294 12.884 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.989 0.880 14.053 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.139 -1.038 12.984 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.433 -0.091 14.801 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.498 -1.280 14.196 1.00 0.00 N ATOM 0 H HIS A 107 -4.721 2.363 9.798 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.730 2.718 11.754 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.912 1.703 12.232 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.610 0.402 11.097 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.060 1.867 14.301 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.360 -1.786 12.237 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.989 0.071 15.772 1.00 0.00 H new ATOM 505 N VAL A 108 -2.164 0.330 9.561 1.00 0.00 N ATOM 506 CA VAL A 108 -1.153 -0.556 8.992 1.00 0.00 C ATOM 507 C VAL A 108 0.061 0.235 8.489 1.00 0.00 C ATOM 508 O VAL A 108 1.203 -0.205 8.620 1.00 0.00 O ATOM 509 CB VAL A 108 -1.782 -1.338 7.834 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.710 -2.111 7.062 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.807 -2.324 8.395 1.00 0.00 C ATOM 0 H VAL A 108 -3.059 0.306 9.072 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.805 -1.240 9.767 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.266 -0.636 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.176 -2.660 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.023 -1.412 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.213 -2.812 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.259 -2.884 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.312 -3.015 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.582 -1.777 8.932 1.00 0.00 H new ATOM 521 N MET A 109 -0.205 1.398 7.907 1.00 0.00 N ATOM 522 CA MET A 109 0.859 2.252 7.373 1.00 0.00 C ATOM 523 C MET A 109 1.596 3.002 8.476 1.00 0.00 C ATOM 524 O MET A 109 2.763 3.355 8.310 1.00 0.00 O ATOM 525 CB MET A 109 0.276 3.262 6.382 1.00 0.00 C ATOM 526 CG MET A 109 0.363 2.696 4.965 1.00 0.00 C ATOM 527 SD MET A 109 -0.160 0.962 4.976 1.00 0.00 S ATOM 528 CE MET A 109 0.591 0.481 3.403 1.00 0.00 C ATOM 0 H MET A 109 -1.146 1.775 7.791 1.00 0.00 H new ATOM 0 HA MET A 109 1.573 1.601 6.869 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.762 3.478 6.635 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.822 4.204 6.443 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.270 3.274 4.291 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.384 2.777 4.591 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.495 -0.596 3.268 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.085 0.995 2.586 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.646 0.754 3.405 1.00 0.00 H new ATOM 538 N THR A 110 0.918 3.262 9.587 1.00 0.00 N ATOM 539 CA THR A 110 1.540 3.997 10.683 1.00 0.00 C ATOM 540 C THR A 110 1.920 3.076 11.840 1.00 0.00 C ATOM 541 O THR A 110 2.688 3.469 12.715 1.00 0.00 O ATOM 542 CB THR A 110 0.579 5.077 11.183 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.611 4.468 11.667 1.00 0.00 O ATOM 544 CG2 THR A 110 0.240 6.023 10.032 1.00 0.00 C ATOM 0 H THR A 110 -0.048 2.980 9.753 1.00 0.00 H new ATOM 0 HA THR A 110 2.455 4.452 10.304 1.00 0.00 H new ATOM 0 HB THR A 110 1.049 5.639 11.990 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.077 4.026 10.927 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.445 6.794 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.154 6.490 9.664 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.231 5.461 9.226 1.00 0.00 H new ATOM 552 N ASN A 111 1.357 1.867 11.860 1.00 0.00 N ATOM 553 CA ASN A 111 1.637 0.923 12.944 1.00 0.00 C ATOM 554 C ASN A 111 2.504 -0.254 12.488 1.00 0.00 C ATOM 555 O ASN A 111 3.364 -0.717 13.237 1.00 0.00 O ATOM 556 CB ASN A 111 0.324 0.382 13.509 1.00 0.00 C ATOM 557 CG ASN A 111 0.561 -0.209 14.895 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.354 0.325 15.671 1.00 0.00 O ATOM 559 ND2 ASN A 111 -0.077 -1.290 15.252 1.00 0.00 N ATOM 0 H ASN A 111 0.713 1.521 11.149 1.00 0.00 H new ATOM 0 HA ASN A 111 2.190 1.469 13.708 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.414 1.182 13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.082 -0.380 12.844 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.081 -1.694 16.175 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.734 -1.731 14.608 1.00 0.00 H new ATOM 566 N LEU A 112 2.261 -0.754 11.277 1.00 0.00 N ATOM 567 CA LEU A 112 3.020 -1.901 10.770 1.00 0.00 C ATOM 568 C LEU A 112 4.028 -1.476 9.708 1.00 0.00 C ATOM 569 O LEU A 112 3.730 -0.634 8.861 1.00 0.00 O ATOM 570 CB LEU A 112 2.066 -2.925 10.157 1.00 0.00 C ATOM 571 CG LEU A 112 0.992 -3.319 11.172 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.041 -4.330 10.531 1.00 0.00 C ATOM 573 CD2 LEU A 112 1.645 -3.945 12.406 1.00 0.00 C ATOM 0 H LEU A 112 1.556 -0.391 10.636 1.00 0.00 H new ATOM 0 HA LEU A 112 3.558 -2.338 11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.598 -2.509 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.622 -3.809 9.843 1.00 0.00 H new ATOM 0 HG LEU A 112 0.438 -2.430 11.474 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.727 -4.614 11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.430 -3.882 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.601 -5.215 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.874 -4.223 13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.203 -4.833 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.324 -3.225 12.863 1.00 0.00 H new ATOM 585 N GLY A 113 5.216 -2.080 9.752 1.00 0.00 N ATOM 586 CA GLY A 113 6.264 -1.775 8.783 1.00 0.00 C ATOM 587 C GLY A 113 6.620 -0.295 8.817 1.00 0.00 C ATOM 588 O GLY A 113 5.735 0.544 8.666 1.00 0.00 O ATOM 0 H GLY A 113 5.474 -2.781 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.150 -2.372 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.931 -2.050 7.782 1.00 0.00 H new ATOM 592 N GLU A 114 7.918 0.002 9.011 1.00 0.00 N ATOM 593 CA GLU A 114 8.415 1.387 9.060 1.00 0.00 C ATOM 594 C GLU A 114 7.263 2.378 9.158 1.00 0.00 C ATOM 595 O GLU A 114 6.746 2.839 8.146 1.00 0.00 O ATOM 596 CB GLU A 114 9.245 1.691 7.812 1.00 0.00 C ATOM 597 CG GLU A 114 10.559 0.910 7.868 1.00 0.00 C ATOM 598 CD GLU A 114 11.337 1.104 6.571 1.00 0.00 C ATOM 599 OE1 GLU A 114 10.770 1.649 5.639 1.00 0.00 O ATOM 600 OE2 GLU A 114 12.489 0.705 6.529 1.00 0.00 O ATOM 0 H GLU A 114 8.644 -0.703 9.137 1.00 0.00 H new ATOM 0 HA GLU A 114 9.039 1.490 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.686 1.419 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.448 2.760 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.157 1.248 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.356 -0.149 8.025 1.00 0.00 H new ATOM 607 N LYS A 115 6.833 2.658 10.376 1.00 0.00 N ATOM 608 CA LYS A 115 5.700 3.548 10.591 1.00 0.00 C ATOM 609 C LYS A 115 5.804 4.819 9.747 1.00 0.00 C ATOM 610 O LYS A 115 6.830 5.499 9.749 1.00 0.00 O ATOM 611 CB LYS A 115 5.639 3.930 12.070 1.00 0.00 C ATOM 612 CG LYS A 115 5.480 2.665 12.919 1.00 0.00 C ATOM 613 CD LYS A 115 5.396 3.049 14.399 1.00 0.00 C ATOM 614 CE LYS A 115 5.248 1.786 15.248 1.00 0.00 C ATOM 615 NZ LYS A 115 5.173 2.162 16.688 1.00 0.00 N ATOM 0 H LYS A 115 7.248 2.285 11.230 1.00 0.00 H new ATOM 0 HA LYS A 115 4.795 3.020 10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.546 4.461 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.803 4.607 12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.581 2.125 12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.324 1.995 12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.291 3.596 14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.548 3.713 14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.350 1.242 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.094 1.120 15.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.072 1.303 17.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.042 2.664 16.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.352 2.782 16.843 1.00 0.00 H new ATOM 629 N LEU A 116 4.710 5.145 9.054 1.00 0.00 N ATOM 630 CA LEU A 116 4.656 6.354 8.233 1.00 0.00 C ATOM 631 C LEU A 116 4.166 7.512 9.100 1.00 0.00 C ATOM 632 O LEU A 116 3.501 7.289 10.112 1.00 0.00 O ATOM 633 CB LEU A 116 3.689 6.166 7.049 1.00 0.00 C ATOM 634 CG LEU A 116 4.415 5.599 5.816 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.420 6.618 5.271 1.00 0.00 C ATOM 636 CD2 LEU A 116 5.155 4.320 6.199 1.00 0.00 C ATOM 0 H LEU A 116 3.854 4.590 9.046 1.00 0.00 H new ATOM 0 HA LEU A 116 5.651 6.562 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.882 5.493 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.231 7.122 6.796 1.00 0.00 H new ATOM 0 HG LEU A 116 3.675 5.382 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.925 6.201 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.895 7.529 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.157 6.850 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.668 3.921 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.885 4.541 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.441 3.584 6.569 1.00 0.00 H new ATOM 648 N THR A 117 4.479 8.744 8.710 1.00 0.00 N ATOM 649 CA THR A 117 4.038 9.903 9.479 1.00 0.00 C ATOM 650 C THR A 117 2.713 10.425 8.933 1.00 0.00 C ATOM 651 O THR A 117 2.240 9.964 7.894 1.00 0.00 O ATOM 652 CB THR A 117 5.096 11.007 9.426 1.00 0.00 C ATOM 653 OG1 THR A 117 5.244 11.454 8.088 1.00 0.00 O ATOM 654 CG2 THR A 117 6.431 10.463 9.936 1.00 0.00 C ATOM 0 H THR A 117 5.028 8.964 7.879 1.00 0.00 H new ATOM 0 HA THR A 117 3.897 9.599 10.516 1.00 0.00 H new ATOM 0 HB THR A 117 4.783 11.841 10.055 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.783 12.272 8.074 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.183 11.251 9.898 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.316 10.121 10.965 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.747 9.629 9.310 1.00 0.00 H new ATOM 662 N ASP A 118 2.107 11.371 9.644 1.00 0.00 N ATOM 663 CA ASP A 118 0.824 11.921 9.218 1.00 0.00 C ATOM 664 C ASP A 118 0.932 12.549 7.830 1.00 0.00 C ATOM 665 O ASP A 118 0.033 12.397 7.001 1.00 0.00 O ATOM 666 CB ASP A 118 0.356 12.979 10.219 1.00 0.00 C ATOM 667 CG ASP A 118 -0.075 12.313 11.521 1.00 0.00 C ATOM 668 OD1 ASP A 118 -0.234 11.104 11.522 1.00 0.00 O ATOM 669 OD2 ASP A 118 -0.241 13.023 12.499 1.00 0.00 O ATOM 0 H ASP A 118 2.478 11.769 10.507 1.00 0.00 H new ATOM 0 HA ASP A 118 0.101 11.106 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.160 13.688 10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.475 13.546 9.799 1.00 0.00 H new ATOM 674 N GLU A 119 2.027 13.259 7.582 1.00 0.00 N ATOM 675 CA GLU A 119 2.222 13.906 6.286 1.00 0.00 C ATOM 676 C GLU A 119 2.278 12.866 5.172 1.00 0.00 C ATOM 677 O GLU A 119 1.687 13.053 4.108 1.00 0.00 O ATOM 678 CB GLU A 119 3.515 14.721 6.297 1.00 0.00 C ATOM 679 CG GLU A 119 3.342 15.945 7.199 1.00 0.00 C ATOM 680 CD GLU A 119 4.677 16.662 7.365 1.00 0.00 C ATOM 681 OE1 GLU A 119 5.688 16.082 7.004 1.00 0.00 O ATOM 682 OE2 GLU A 119 4.670 17.780 7.852 1.00 0.00 O ATOM 0 H GLU A 119 2.785 13.401 8.250 1.00 0.00 H new ATOM 0 HA GLU A 119 1.379 14.572 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.341 14.107 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.767 15.036 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.606 16.624 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.961 15.638 8.173 1.00 0.00 H new ATOM 689 N GLU A 120 2.965 11.758 5.430 1.00 0.00 N ATOM 690 CA GLU A 120 3.057 10.687 4.449 1.00 0.00 C ATOM 691 C GLU A 120 1.705 10.006 4.289 1.00 0.00 C ATOM 692 O GLU A 120 1.291 9.675 3.180 1.00 0.00 O ATOM 693 CB GLU A 120 4.100 9.667 4.893 1.00 0.00 C ATOM 694 CG GLU A 120 5.498 10.183 4.546 1.00 0.00 C ATOM 695 CD GLU A 120 5.572 11.693 4.745 1.00 0.00 C ATOM 696 OE1 GLU A 120 5.312 12.140 5.849 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.887 12.381 3.789 1.00 0.00 O ATOM 0 H GLU A 120 3.462 11.580 6.303 1.00 0.00 H new ATOM 0 HA GLU A 120 3.355 11.111 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.021 9.494 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.921 8.711 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.241 9.690 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.738 9.934 3.512 1.00 0.00 H new ATOM 704 N VAL A 121 1.017 9.804 5.410 1.00 0.00 N ATOM 705 CA VAL A 121 -0.294 9.168 5.405 1.00 0.00 C ATOM 706 C VAL A 121 -1.309 10.016 4.642 1.00 0.00 C ATOM 707 O VAL A 121 -2.091 9.504 3.850 1.00 0.00 O ATOM 708 CB VAL A 121 -0.759 8.992 6.857 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.215 8.531 6.909 1.00 0.00 C ATOM 710 CG2 VAL A 121 0.124 7.957 7.557 1.00 0.00 C ATOM 0 H VAL A 121 1.349 10.073 6.336 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.219 8.200 4.909 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.678 9.954 7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.522 8.413 7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.849 9.274 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.313 7.577 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.208 7.833 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.050 7.003 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.160 8.296 7.547 1.00 0.00 H new ATOM 720 N ASP A 122 -1.313 11.318 4.896 1.00 0.00 N ATOM 721 CA ASP A 122 -2.269 12.194 4.233 1.00 0.00 C ATOM 722 C ASP A 122 -2.113 12.104 2.722 1.00 0.00 C ATOM 723 O ASP A 122 -3.102 12.059 1.991 1.00 0.00 O ATOM 724 CB ASP A 122 -2.056 13.639 4.694 1.00 0.00 C ATOM 725 CG ASP A 122 -2.531 13.802 6.134 1.00 0.00 C ATOM 726 OD1 ASP A 122 -3.204 12.908 6.620 1.00 0.00 O ATOM 727 OD2 ASP A 122 -2.213 14.817 6.731 1.00 0.00 O ATOM 0 H ASP A 122 -0.678 11.784 5.544 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.277 11.877 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.001 13.902 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.602 14.322 4.043 1.00 0.00 H new ATOM 732 N GLU A 123 -0.874 12.048 2.259 1.00 0.00 N ATOM 733 CA GLU A 123 -0.618 11.926 0.831 1.00 0.00 C ATOM 734 C GLU A 123 -1.169 10.593 0.334 1.00 0.00 C ATOM 735 O GLU A 123 -1.728 10.500 -0.759 1.00 0.00 O ATOM 736 CB GLU A 123 0.887 11.991 0.555 1.00 0.00 C ATOM 737 CG GLU A 123 1.139 12.104 -0.954 1.00 0.00 C ATOM 738 CD GLU A 123 0.918 10.755 -1.630 1.00 0.00 C ATOM 739 OE1 GLU A 123 1.007 9.749 -0.949 1.00 0.00 O ATOM 740 OE2 GLU A 123 0.652 10.749 -2.821 1.00 0.00 O ATOM 0 H GLU A 123 -0.038 12.084 2.843 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.108 12.748 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.323 12.847 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.376 11.100 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.471 12.849 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.158 12.446 -1.135 1.00 0.00 H new ATOM 747 N MET A 124 -1.009 9.566 1.165 1.00 0.00 N ATOM 748 CA MET A 124 -1.487 8.225 0.847 1.00 0.00 C ATOM 749 C MET A 124 -3.015 8.186 0.821 1.00 0.00 C ATOM 750 O MET A 124 -3.614 7.528 -0.029 1.00 0.00 O ATOM 751 CB MET A 124 -0.977 7.259 1.917 1.00 0.00 C ATOM 752 CG MET A 124 0.542 7.153 1.816 1.00 0.00 C ATOM 753 SD MET A 124 0.979 5.877 0.616 1.00 0.00 S ATOM 754 CE MET A 124 0.682 4.459 1.705 1.00 0.00 C ATOM 0 H MET A 124 -0.547 9.640 2.072 1.00 0.00 H new ATOM 0 HA MET A 124 -1.117 7.939 -0.138 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.264 7.611 2.908 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.431 6.277 1.784 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.965 8.111 1.514 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.966 6.911 2.791 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.631 3.981 1.947 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.203 4.799 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.033 3.743 1.201 1.00 0.00 H new ATOM 764 N ILE A 125 -3.638 8.890 1.769 1.00 0.00 N ATOM 765 CA ILE A 125 -5.096 8.924 1.862 1.00 0.00 C ATOM 766 C ILE A 125 -5.704 9.558 0.613 1.00 0.00 C ATOM 767 O ILE A 125 -6.733 9.103 0.113 1.00 0.00 O ATOM 768 CB ILE A 125 -5.518 9.681 3.135 1.00 0.00 C ATOM 769 CG1 ILE A 125 -5.966 8.679 4.213 1.00 0.00 C ATOM 770 CG2 ILE A 125 -6.655 10.672 2.848 1.00 0.00 C ATOM 771 CD1 ILE A 125 -4.779 7.823 4.660 1.00 0.00 C ATOM 0 H ILE A 125 -3.157 9.441 2.479 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.472 7.903 1.926 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.657 10.246 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.381 9.213 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.758 8.041 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.928 11.189 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.325 11.400 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.521 10.132 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.106 7.117 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.383 7.275 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.001 8.466 5.071 1.00 0.00 H new ATOM 783 N ARG A 126 -5.061 10.603 0.115 1.00 0.00 N ATOM 784 CA ARG A 126 -5.542 11.289 -1.078 1.00 0.00 C ATOM 785 C ARG A 126 -5.520 10.347 -2.279 1.00 0.00 C ATOM 786 O ARG A 126 -6.319 10.484 -3.205 1.00 0.00 O ATOM 787 CB ARG A 126 -4.667 12.515 -1.365 1.00 0.00 C ATOM 788 CG ARG A 126 -5.341 13.411 -2.411 1.00 0.00 C ATOM 789 CD ARG A 126 -6.309 14.384 -1.727 1.00 0.00 C ATOM 790 NE ARG A 126 -5.583 15.253 -0.807 1.00 0.00 N ATOM 791 CZ ARG A 126 -4.934 16.327 -1.245 1.00 0.00 C ATOM 792 NH1 ARG A 126 -4.945 16.621 -2.516 1.00 0.00 N ATOM 793 NH2 ARG A 126 -4.288 17.087 -0.405 1.00 0.00 N ATOM 0 H ARG A 126 -4.208 10.995 0.515 1.00 0.00 H new ATOM 0 HA ARG A 126 -6.568 11.612 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.502 13.077 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.688 12.197 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -4.585 13.967 -2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.880 12.798 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.823 14.985 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.074 13.827 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.573 15.033 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.451 16.027 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.447 17.445 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.281 16.857 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.790 17.911 -0.742 1.00 0.00 H new ATOM 807 N GLU A 127 -4.600 9.390 -2.251 1.00 0.00 N ATOM 808 CA GLU A 127 -4.478 8.422 -3.337 1.00 0.00 C ATOM 809 C GLU A 127 -5.231 7.131 -3.015 1.00 0.00 C ATOM 810 O GLU A 127 -5.386 6.265 -3.874 1.00 0.00 O ATOM 811 CB GLU A 127 -3.002 8.102 -3.583 1.00 0.00 C ATOM 812 CG GLU A 127 -2.256 9.386 -3.953 1.00 0.00 C ATOM 813 CD GLU A 127 -2.757 9.915 -5.292 1.00 0.00 C ATOM 814 OE1 GLU A 127 -3.335 9.138 -6.035 1.00 0.00 O ATOM 815 OE2 GLU A 127 -2.558 11.089 -5.555 1.00 0.00 O ATOM 0 H GLU A 127 -3.930 9.263 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.916 8.863 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.562 7.657 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.906 7.369 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.404 10.138 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.185 9.191 -4.008 1.00 0.00 H new ATOM 822 N ALA A 128 -5.677 7.000 -1.768 1.00 0.00 N ATOM 823 CA ALA A 128 -6.389 5.795 -1.348 1.00 0.00 C ATOM 824 C ALA A 128 -7.850 5.820 -1.798 1.00 0.00 C ATOM 825 O ALA A 128 -8.232 5.035 -2.660 1.00 0.00 O ATOM 826 CB ALA A 128 -6.309 5.662 0.173 1.00 0.00 C ATOM 0 H ALA A 128 -5.560 7.703 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.914 4.935 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.840 4.764 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.265 5.592 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.765 6.535 0.639 1.00 0.00 H new ATOM 832 N ASP A 129 -8.651 6.726 -1.221 1.00 0.00 N ATOM 833 CA ASP A 129 -10.075 6.851 -1.583 1.00 0.00 C ATOM 834 C ASP A 129 -10.882 7.502 -0.455 1.00 0.00 C ATOM 835 O ASP A 129 -10.982 8.725 -0.373 1.00 0.00 O ATOM 836 CB ASP A 129 -10.698 5.476 -1.904 1.00 0.00 C ATOM 837 CG ASP A 129 -10.649 5.176 -3.407 1.00 0.00 C ATOM 838 OD1 ASP A 129 -10.025 5.932 -4.132 1.00 0.00 O ATOM 839 OD2 ASP A 129 -11.242 4.187 -3.807 1.00 0.00 O ATOM 0 H ASP A 129 -8.341 7.382 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.115 7.483 -2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.165 4.697 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -11.732 5.455 -1.561 1.00 0.00 H new ATOM 844 N ILE A 130 -11.479 6.663 0.384 1.00 0.00 N ATOM 845 CA ILE A 130 -12.312 7.121 1.486 1.00 0.00 C ATOM 846 C ILE A 130 -13.495 7.930 0.969 1.00 0.00 C ATOM 847 O ILE A 130 -13.715 9.067 1.386 1.00 0.00 O ATOM 848 CB ILE A 130 -11.511 7.958 2.478 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.404 7.101 3.087 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.447 8.437 3.590 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.462 7.990 3.895 1.00 0.00 C ATOM 0 H ILE A 130 -11.398 5.648 0.318 1.00 0.00 H new ATOM 0 HA ILE A 130 -12.684 6.236 2.002 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.069 8.814 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.835 6.332 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -9.852 6.587 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -11.885 9.037 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.245 9.041 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.878 7.575 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.671 7.380 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.022 8.743 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.020 8.483 4.691 1.00 0.00 H new ATOM 894 N GLY A 134 -15.064 4.450 3.670 1.00 0.00 N ATOM 895 CA GLY A 134 -13.985 3.864 4.461 1.00 0.00 C ATOM 896 C GLY A 134 -13.346 2.651 3.778 1.00 0.00 C ATOM 897 O GLY A 134 -12.808 1.774 4.456 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.220 4.619 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.374 3.565 5.434 1.00 0.00 H new ATOM 901 N GLN A 135 -13.391 2.606 2.444 1.00 0.00 N ATOM 902 CA GLN A 135 -12.790 1.490 1.704 1.00 0.00 C ATOM 903 C GLN A 135 -11.786 1.999 0.681 1.00 0.00 C ATOM 904 O GLN A 135 -11.921 3.105 0.157 1.00 0.00 O ATOM 905 CB GLN A 135 -13.863 0.665 0.993 1.00 0.00 C ATOM 906 CG GLN A 135 -14.775 1.595 0.196 1.00 0.00 C ATOM 907 CD GLN A 135 -15.873 0.790 -0.492 1.00 0.00 C ATOM 908 OE1 GLN A 135 -16.529 -0.036 0.142 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.114 0.986 -1.759 1.00 0.00 N ATOM 0 H GLN A 135 -13.830 3.317 1.860 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.275 0.857 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.397 -0.062 0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.447 0.102 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.219 2.338 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.192 2.139 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -15.569 1.671 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -16.848 0.454 -2.227 1.00 0.00 H new ATOM 918 N VAL A 136 -10.771 1.184 0.416 1.00 0.00 N ATOM 919 CA VAL A 136 -9.726 1.547 -0.530 1.00 0.00 C ATOM 920 C VAL A 136 -9.428 0.426 -1.514 1.00 0.00 C ATOM 921 O VAL A 136 -9.284 -0.735 -1.129 1.00 0.00 O ATOM 922 CB VAL A 136 -8.452 1.902 0.232 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.261 1.902 -0.729 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.617 3.293 0.841 1.00 0.00 C ATOM 0 H VAL A 136 -10.651 0.266 0.845 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.082 2.404 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.274 1.169 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.353 2.156 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.152 0.913 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.428 2.637 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.713 3.560 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.788 4.020 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.468 3.293 1.522 1.00 0.00 H new ATOM 934 N ASN A 137 -9.305 0.792 -2.783 1.00 0.00 N ATOM 935 CA ASN A 137 -8.988 -0.176 -3.819 1.00 0.00 C ATOM 936 C ASN A 137 -7.472 -0.223 -4.030 1.00 0.00 C ATOM 937 O ASN A 137 -6.880 0.739 -4.516 1.00 0.00 O ATOM 938 CB ASN A 137 -9.678 0.211 -5.128 1.00 0.00 C ATOM 939 CG ASN A 137 -9.556 1.714 -5.366 1.00 0.00 C ATOM 940 OD1 ASN A 137 -10.634 2.426 -5.544 1.00 0.00 O flip ATOM 941 ND2 ASN A 137 -8.450 2.255 -5.385 1.00 0.00 N flip ATOM 0 H ASN A 137 -9.420 1.749 -3.117 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.343 -1.159 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.229 -0.333 -5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -10.729 -0.074 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.607 1.698 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.377 3.260 -5.540 1.00 0.00 H new ATOM 948 N TYR A 138 -6.842 -1.328 -3.643 1.00 0.00 N ATOM 949 CA TYR A 138 -5.390 -1.446 -3.783 1.00 0.00 C ATOM 950 C TYR A 138 -4.958 -1.389 -5.246 1.00 0.00 C ATOM 951 O TYR A 138 -3.769 -1.263 -5.541 1.00 0.00 O ATOM 952 CB TYR A 138 -4.886 -2.746 -3.149 1.00 0.00 C ATOM 953 CG TYR A 138 -5.555 -3.942 -3.786 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.063 -4.471 -4.985 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.654 -4.537 -3.161 1.00 0.00 C ATOM 956 CE1 TYR A 138 -5.676 -5.595 -5.557 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.267 -5.657 -3.728 1.00 0.00 C ATOM 958 CZ TYR A 138 -6.778 -6.188 -4.928 1.00 0.00 C ATOM 959 OH TYR A 138 -7.382 -7.295 -5.491 1.00 0.00 O ATOM 0 H TYR A 138 -7.302 -2.143 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.948 -0.597 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.805 -2.820 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.088 -2.737 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.212 -4.014 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.031 -4.129 -2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.298 -6.003 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.117 -6.113 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.765 -7.854 -4.783 1.00 0.00 H new ATOM 969 N GLU A 139 -5.914 -1.495 -6.161 1.00 0.00 N ATOM 970 CA GLU A 139 -5.577 -1.463 -7.580 1.00 0.00 C ATOM 971 C GLU A 139 -4.866 -0.155 -7.926 1.00 0.00 C ATOM 972 O GLU A 139 -3.818 -0.167 -8.570 1.00 0.00 O ATOM 973 CB GLU A 139 -6.848 -1.605 -8.424 1.00 0.00 C ATOM 974 CG GLU A 139 -6.484 -1.614 -9.913 1.00 0.00 C ATOM 975 CD GLU A 139 -7.736 -1.834 -10.753 1.00 0.00 C ATOM 976 OE1 GLU A 139 -8.801 -1.965 -10.172 1.00 0.00 O ATOM 977 OE2 GLU A 139 -7.613 -1.866 -11.967 1.00 0.00 O ATOM 0 H GLU A 139 -6.907 -1.602 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.908 -2.295 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.369 -2.526 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.530 -0.782 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.013 -0.670 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.758 -2.402 -10.114 1.00 0.00 H new ATOM 984 N GLU A 140 -5.441 0.971 -7.510 1.00 0.00 N ATOM 985 CA GLU A 140 -4.845 2.271 -7.804 1.00 0.00 C ATOM 986 C GLU A 140 -3.457 2.393 -7.184 1.00 0.00 C ATOM 987 O GLU A 140 -2.537 2.922 -7.806 1.00 0.00 O ATOM 988 CB GLU A 140 -5.743 3.390 -7.271 1.00 0.00 C ATOM 989 CG GLU A 140 -7.019 3.466 -8.111 1.00 0.00 C ATOM 990 CD GLU A 140 -7.991 4.465 -7.493 1.00 0.00 C ATOM 991 OE1 GLU A 140 -7.753 4.878 -6.370 1.00 0.00 O ATOM 992 OE2 GLU A 140 -8.960 4.803 -8.153 1.00 0.00 O ATOM 0 H GLU A 140 -6.308 1.010 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.749 2.361 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.993 3.203 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.214 4.343 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.776 3.766 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -7.484 2.482 -8.170 1.00 0.00 H new ATOM 999 N PHE A 141 -3.301 1.885 -5.966 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.002 1.939 -5.303 1.00 0.00 C ATOM 1001 C PHE A 141 -0.973 1.157 -6.109 1.00 0.00 C ATOM 1002 O PHE A 141 0.152 1.607 -6.297 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.090 1.361 -3.886 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.209 2.479 -2.876 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.141 3.366 -2.698 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.371 2.619 -2.105 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.233 4.394 -1.753 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.461 3.647 -1.159 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.393 4.535 -0.983 1.00 0.00 C ATOM 0 H PHE A 141 -4.042 1.439 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.696 2.983 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.951 0.697 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.205 0.761 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.245 3.257 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.196 1.935 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.409 5.079 -1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.356 3.755 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.464 5.328 -0.254 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.366 -0.007 -6.602 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.461 -0.815 -7.406 1.00 0.00 C ATOM 1021 C VAL A 142 -0.117 -0.089 -8.699 1.00 0.00 C ATOM 1022 O VAL A 142 1.035 -0.094 -9.133 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.079 -2.180 -7.696 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.233 -2.911 -8.739 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.098 -3.000 -6.404 1.00 0.00 C ATOM 0 H VAL A 142 -2.293 -0.410 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 142 0.460 -0.973 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.093 -2.052 -8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.674 -3.886 -8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.201 -2.324 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.779 -3.044 -8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.538 -3.978 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.079 -3.127 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.691 -2.480 -5.652 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.113 0.551 -9.304 1.00 0.00 N ATOM 1036 CA GLN A 143 -0.876 1.290 -10.537 1.00 0.00 C ATOM 1037 C GLN A 143 0.157 2.378 -10.271 1.00 0.00 C ATOM 1038 O GLN A 143 1.058 2.605 -11.077 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.183 1.916 -11.033 1.00 0.00 C ATOM 1040 CG GLN A 143 -1.964 2.563 -12.404 1.00 0.00 C ATOM 1041 CD GLN A 143 -1.622 1.500 -13.443 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -0.513 1.487 -13.979 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -2.512 0.600 -13.762 1.00 0.00 N ATOM 0 H GLN A 143 -2.076 0.573 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.504 0.612 -11.305 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -2.959 1.153 -11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -2.532 2.663 -10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.862 3.102 -12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.158 3.295 -12.344 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.430 0.611 -13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.289 -0.114 -14.455 1.00 0.00 H new ATOM 1052 N MET A 144 0.025 3.037 -9.123 1.00 0.00 N ATOM 1053 CA MET A 144 0.963 4.091 -8.751 1.00 0.00 C ATOM 1054 C MET A 144 2.364 3.496 -8.686 1.00 0.00 C ATOM 1055 O MET A 144 3.332 4.093 -9.155 1.00 0.00 O ATOM 1056 CB MET A 144 0.588 4.657 -7.374 1.00 0.00 C ATOM 1057 CG MET A 144 -0.709 5.459 -7.470 1.00 0.00 C ATOM 1058 SD MET A 144 -1.448 5.627 -5.820 1.00 0.00 S ATOM 1059 CE MET A 144 -0.081 6.497 -5.015 1.00 0.00 C ATOM 0 H MET A 144 -0.714 2.863 -8.441 1.00 0.00 H new ATOM 0 HA MET A 144 0.928 4.893 -9.489 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.469 3.844 -6.658 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.391 5.293 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.508 6.444 -7.891 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.407 4.961 -8.143 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.432 6.945 -4.085 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.722 5.792 -4.798 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.292 7.279 -5.676 1.00 0.00 H new ATOM 1069 N MET A 145 2.455 2.311 -8.092 1.00 0.00 N ATOM 1070 CA MET A 145 3.728 1.615 -7.946 1.00 0.00 C ATOM 1071 C MET A 145 4.243 1.088 -9.284 1.00 0.00 C ATOM 1072 O MET A 145 5.431 0.795 -9.418 1.00 0.00 O ATOM 1073 CB MET A 145 3.562 0.449 -6.972 1.00 0.00 C ATOM 1074 CG MET A 145 3.275 1.002 -5.579 1.00 0.00 C ATOM 1075 SD MET A 145 3.083 -0.370 -4.419 1.00 0.00 S ATOM 1076 CE MET A 145 2.584 0.619 -2.992 1.00 0.00 C ATOM 0 H MET A 145 1.657 1.810 -7.702 1.00 0.00 H new ATOM 0 HA MET A 145 4.457 2.329 -7.563 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.747 -0.198 -7.295 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.466 -0.160 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.089 1.653 -5.259 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.370 1.609 -5.596 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.152 0.306 -2.116 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.778 1.672 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.520 0.476 -2.804 1.00 0.00 H new ATOM 1214 N ASP B 35 0.004 -10.809 14.079 1.00 0.00 N ATOM 1215 CA ASP B 35 1.011 -11.675 14.681 1.00 0.00 C ATOM 1216 C ASP B 35 1.851 -12.353 13.604 1.00 0.00 C ATOM 1217 O ASP B 35 3.058 -12.530 13.770 1.00 0.00 O ATOM 1218 CB ASP B 35 0.334 -12.739 15.548 1.00 0.00 C ATOM 1219 CG ASP B 35 -0.232 -12.101 16.811 1.00 0.00 C ATOM 1220 OD1 ASP B 35 0.117 -10.966 17.086 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -1.009 -12.758 17.486 1.00 0.00 O ATOM 0 HA ASP B 35 1.665 -11.062 15.302 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.465 -13.223 14.986 1.00 0.00 H new ATOM 0 HB3 ASP B 35 1.052 -13.515 15.813 1.00 0.00 H new ATOM 1226 N ALA B 36 1.215 -12.732 12.499 1.00 0.00 N ATOM 1227 CA ALA B 36 1.935 -13.387 11.415 1.00 0.00 C ATOM 1228 C ALA B 36 3.033 -12.453 10.865 1.00 0.00 C ATOM 1229 O ALA B 36 2.719 -11.356 10.401 1.00 0.00 O ATOM 1230 CB ALA B 36 0.955 -13.721 10.286 1.00 0.00 C ATOM 0 H ALA B 36 0.217 -12.599 12.333 1.00 0.00 H new ATOM 0 HA ALA B 36 2.395 -14.299 11.796 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.490 -14.211 9.473 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.179 -14.387 10.663 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.498 -12.803 9.918 1.00 0.00 H new ATOM 1236 N PRO B 37 4.299 -12.844 10.884 1.00 0.00 N ATOM 1237 CA PRO B 37 5.406 -11.983 10.348 1.00 0.00 C ATOM 1238 C PRO B 37 5.138 -11.482 8.930 1.00 0.00 C ATOM 1239 O PRO B 37 5.529 -10.370 8.572 1.00 0.00 O ATOM 1240 CB PRO B 37 6.616 -12.916 10.348 1.00 0.00 C ATOM 1241 CG PRO B 37 6.345 -13.888 11.437 1.00 0.00 C ATOM 1242 CD PRO B 37 4.836 -14.116 11.423 1.00 0.00 C ATOM 0 HA PRO B 37 5.533 -11.082 10.949 1.00 0.00 H new ATOM 0 HB2 PRO B 37 6.728 -13.419 9.387 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.540 -12.366 10.529 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.883 -14.821 11.271 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.673 -13.498 12.400 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.564 -14.965 10.795 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.452 -14.323 12.422 1.00 0.00 H new ATOM 1250 N GLU B 38 4.493 -12.314 8.121 1.00 0.00 N ATOM 1251 CA GLU B 38 4.208 -11.949 6.737 1.00 0.00 C ATOM 1252 C GLU B 38 3.444 -10.629 6.657 1.00 0.00 C ATOM 1253 O GLU B 38 3.636 -9.848 5.725 1.00 0.00 O ATOM 1254 CB GLU B 38 3.379 -13.052 6.076 1.00 0.00 C ATOM 1255 CG GLU B 38 2.033 -13.193 6.792 1.00 0.00 C ATOM 1256 CD GLU B 38 1.259 -14.372 6.213 1.00 0.00 C ATOM 1257 OE1 GLU B 38 1.778 -15.010 5.311 1.00 0.00 O ATOM 1258 OE2 GLU B 38 0.160 -14.620 6.680 1.00 0.00 O ATOM 0 H GLU B 38 4.160 -13.238 8.395 1.00 0.00 H new ATOM 0 HA GLU B 38 5.158 -11.829 6.216 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.218 -12.817 5.024 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.921 -13.997 6.112 1.00 0.00 H new ATOM 0 HG2 GLU B 38 2.193 -13.341 7.860 1.00 0.00 H new ATOM 0 HG3 GLU B 38 1.454 -12.276 6.680 1.00 0.00 H new ATOM 1265 N THR B 39 2.573 -10.385 7.631 1.00 0.00 N ATOM 1266 CA THR B 39 1.786 -9.151 7.639 1.00 0.00 C ATOM 1267 C THR B 39 2.697 -7.929 7.732 1.00 0.00 C ATOM 1268 O THR B 39 2.557 -6.982 6.958 1.00 0.00 O ATOM 1269 CB THR B 39 0.810 -9.155 8.818 1.00 0.00 C ATOM 1270 OG1 THR B 39 -0.075 -10.259 8.692 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.003 -7.854 8.818 1.00 0.00 C ATOM 0 H THR B 39 2.394 -11.013 8.415 1.00 0.00 H new ATOM 0 HA THR B 39 1.225 -9.100 6.706 1.00 0.00 H new ATOM 0 HB THR B 39 1.367 -9.237 9.751 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.700 -10.265 9.447 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.692 -7.857 9.658 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.681 -7.005 8.911 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.555 -7.772 7.885 1.00 0.00 H new ATOM 1279 N GLU B 40 3.640 -7.960 8.671 1.00 0.00 N ATOM 1280 CA GLU B 40 4.575 -6.851 8.833 1.00 0.00 C ATOM 1281 C GLU B 40 5.447 -6.721 7.594 1.00 0.00 C ATOM 1282 O GLU B 40 5.729 -5.619 7.125 1.00 0.00 O ATOM 1283 CB GLU B 40 5.458 -7.083 10.061 1.00 0.00 C ATOM 1284 CG GLU B 40 4.626 -6.896 11.331 1.00 0.00 C ATOM 1285 CD GLU B 40 3.585 -8.002 11.441 1.00 0.00 C ATOM 1286 OE1 GLU B 40 3.884 -9.116 11.045 1.00 0.00 O ATOM 1287 OE2 GLU B 40 2.498 -7.714 11.913 1.00 0.00 O ATOM 0 H GLU B 40 3.776 -8.732 9.324 1.00 0.00 H new ATOM 0 HA GLU B 40 4.007 -5.931 8.970 1.00 0.00 H new ATOM 0 HB2 GLU B 40 5.879 -8.088 10.034 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.296 -6.386 10.057 1.00 0.00 H new ATOM 0 HG2 GLU B 40 5.276 -6.909 12.206 1.00 0.00 H new ATOM 0 HG3 GLU B 40 4.134 -5.923 11.313 1.00 0.00 H new ATOM 1294 N ARG B 41 5.860 -7.865 7.067 1.00 0.00 N ATOM 1295 CA ARG B 41 6.693 -7.899 5.876 1.00 0.00 C ATOM 1296 C ARG B 41 5.959 -7.259 4.702 1.00 0.00 C ATOM 1297 O ARG B 41 6.525 -6.453 3.966 1.00 0.00 O ATOM 1298 CB ARG B 41 7.041 -9.357 5.562 1.00 0.00 C ATOM 1299 CG ARG B 41 7.789 -9.497 4.227 1.00 0.00 C ATOM 1300 CD ARG B 41 9.099 -8.701 4.250 1.00 0.00 C ATOM 1301 NE ARG B 41 9.899 -9.008 3.071 1.00 0.00 N ATOM 1302 CZ ARG B 41 10.975 -8.290 2.766 1.00 0.00 C ATOM 1303 NH1 ARG B 41 11.327 -7.287 3.523 1.00 0.00 N ATOM 1304 NH2 ARG B 41 11.678 -8.585 1.708 1.00 0.00 N ATOM 0 H ARG B 41 5.631 -8.783 7.447 1.00 0.00 H new ATOM 0 HA ARG B 41 7.610 -7.335 6.048 1.00 0.00 H new ATOM 0 HB2 ARG B 41 7.655 -9.764 6.366 1.00 0.00 H new ATOM 0 HB3 ARG B 41 6.126 -9.949 5.529 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.001 -10.548 4.032 1.00 0.00 H new ATOM 0 HG3 ARG B 41 7.157 -9.143 3.412 1.00 0.00 H new ATOM 0 HD2 ARG B 41 8.883 -7.633 4.283 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.662 -8.940 5.152 1.00 0.00 H new ATOM 0 HE ARG B 41 9.629 -9.787 2.470 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.776 -7.054 4.349 1.00 0.00 H new ATOM 0 HH12 ARG B 41 12.153 -6.736 3.288 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.402 -9.367 1.114 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.504 -8.034 1.474 1.00 0.00 H new ATOM 1318 N ALA B 42 4.690 -7.623 4.541 1.00 0.00 N ATOM 1319 CA ALA B 42 3.883 -7.075 3.460 1.00 0.00 C ATOM 1320 C ALA B 42 3.760 -5.565 3.610 1.00 0.00 C ATOM 1321 O ALA B 42 3.817 -4.825 2.628 1.00 0.00 O ATOM 1322 CB ALA B 42 2.491 -7.709 3.473 1.00 0.00 C ATOM 0 H ALA B 42 4.203 -8.289 5.141 1.00 0.00 H new ATOM 0 HA ALA B 42 4.371 -7.299 2.511 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.894 -7.293 2.661 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.581 -8.787 3.342 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.004 -7.499 4.425 1.00 0.00 H new ATOM 1328 N ALA B 43 3.596 -5.113 4.849 1.00 0.00 N ATOM 1329 CA ALA B 43 3.472 -3.687 5.118 1.00 0.00 C ATOM 1330 C ALA B 43 4.739 -2.956 4.681 1.00 0.00 C ATOM 1331 O ALA B 43 4.677 -1.865 4.119 1.00 0.00 O ATOM 1332 CB ALA B 43 3.243 -3.456 6.617 1.00 0.00 C ATOM 0 H ALA B 43 3.546 -5.709 5.676 1.00 0.00 H new ATOM 0 HA ALA B 43 2.622 -3.299 4.556 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.151 -2.387 6.811 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.328 -3.961 6.927 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.087 -3.856 7.180 1.00 0.00 H new ATOM 1338 N VAL B 44 5.888 -3.569 4.951 1.00 0.00 N ATOM 1339 CA VAL B 44 7.171 -2.974 4.595 1.00 0.00 C ATOM 1340 C VAL B 44 7.313 -2.798 3.084 1.00 0.00 C ATOM 1341 O VAL B 44 7.760 -1.751 2.615 1.00 0.00 O ATOM 1342 CB VAL B 44 8.311 -3.852 5.113 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.640 -3.351 4.547 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.351 -3.786 6.641 1.00 0.00 C ATOM 0 H VAL B 44 5.956 -4.475 5.414 1.00 0.00 H new ATOM 0 HA VAL B 44 7.218 -1.988 5.057 1.00 0.00 H new ATOM 0 HB VAL B 44 8.147 -4.882 4.797 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.452 -3.977 4.917 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.612 -3.398 3.458 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.804 -2.321 4.862 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.163 -4.412 7.011 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.514 -2.755 6.957 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.404 -4.144 7.046 1.00 0.00 H new ATOM 1354 N ALA B 45 6.949 -3.828 2.325 1.00 0.00 N ATOM 1355 CA ALA B 45 7.066 -3.763 0.871 1.00 0.00 C ATOM 1356 C ALA B 45 6.214 -2.634 0.304 1.00 0.00 C ATOM 1357 O ALA B 45 6.662 -1.878 -0.555 1.00 0.00 O ATOM 1358 CB ALA B 45 6.625 -5.091 0.254 1.00 0.00 C ATOM 0 H ALA B 45 6.576 -4.706 2.686 1.00 0.00 H new ATOM 0 HA ALA B 45 8.110 -3.569 0.623 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.715 -5.036 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.258 -5.895 0.630 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.588 -5.290 0.523 1.00 0.00 H new ATOM 1364 N ILE B 46 4.988 -2.516 0.791 1.00 0.00 N ATOM 1365 CA ILE B 46 4.097 -1.466 0.320 1.00 0.00 C ATOM 1366 C ILE B 46 4.669 -0.090 0.645 1.00 0.00 C ATOM 1367 O ILE B 46 4.691 0.801 -0.203 1.00 0.00 O ATOM 1368 CB ILE B 46 2.723 -1.636 0.961 1.00 0.00 C ATOM 1369 CG1 ILE B 46 2.071 -2.900 0.397 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.848 -0.424 0.641 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.845 -3.257 1.232 1.00 0.00 C ATOM 0 H ILE B 46 4.590 -3.127 1.504 1.00 0.00 H new ATOM 0 HA ILE B 46 3.999 -1.544 -0.763 1.00 0.00 H new ATOM 0 HB ILE B 46 2.829 -1.721 2.043 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.782 -2.740 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.784 -3.725 0.407 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.868 -0.551 1.101 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.319 0.478 1.032 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.733 -0.334 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.381 -4.157 0.830 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.147 -3.434 2.264 1.00 0.00 H new ATOM 0 HD13 ILE B 46 0.130 -2.435 1.199 1.00 0.00 H new ATOM 1383 N GLN B 47 5.136 0.072 1.878 1.00 0.00 N ATOM 1384 CA GLN B 47 5.712 1.341 2.307 1.00 0.00 C ATOM 1385 C GLN B 47 6.994 1.647 1.536 1.00 0.00 C ATOM 1386 O GLN B 47 7.245 2.793 1.164 1.00 0.00 O ATOM 1387 CB GLN B 47 6.031 1.291 3.797 1.00 0.00 C ATOM 1388 CG GLN B 47 4.736 1.272 4.610 1.00 0.00 C ATOM 1389 CD GLN B 47 5.084 1.235 6.088 1.00 0.00 C ATOM 1390 OE1 GLN B 47 6.339 1.199 6.440 1.00 0.00 O flip ATOM 1391 NE2 GLN B 47 4.197 1.245 6.942 1.00 0.00 N flip ATOM 0 H GLN B 47 5.127 -0.654 2.594 1.00 0.00 H new ATOM 0 HA GLN B 47 4.982 2.126 2.108 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.623 0.404 4.021 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.633 2.155 4.077 1.00 0.00 H new ATOM 0 HG2 GLN B 47 4.137 2.155 4.386 1.00 0.00 H new ATOM 0 HG3 GLN B 47 4.135 0.403 4.342 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.217 1.273 6.659 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.442 1.225 7.932 1.00 0.00 H new ATOM 1400 N SER B 48 7.809 0.618 1.312 1.00 0.00 N ATOM 1401 CA SER B 48 9.068 0.801 0.596 1.00 0.00 C ATOM 1402 C SER B 48 8.812 1.328 -0.809 1.00 0.00 C ATOM 1403 O SER B 48 9.441 2.292 -1.244 1.00 0.00 O ATOM 1404 CB SER B 48 9.821 -0.528 0.515 1.00 0.00 C ATOM 1405 OG SER B 48 11.039 -0.334 -0.192 1.00 0.00 O ATOM 0 H SER B 48 7.623 -0.339 1.612 1.00 0.00 H new ATOM 0 HA SER B 48 9.671 1.527 1.140 1.00 0.00 H new ATOM 0 HB2 SER B 48 10.025 -0.906 1.517 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.209 -1.276 0.011 1.00 0.00 H new ATOM 0 HG SER B 48 11.525 -1.183 -0.245 1.00 0.00 H new ATOM 1411 N GLN B 49 7.869 0.706 -1.507 1.00 0.00 N ATOM 1412 CA GLN B 49 7.525 1.143 -2.851 1.00 0.00 C ATOM 1413 C GLN B 49 6.902 2.535 -2.808 1.00 0.00 C ATOM 1414 O GLN B 49 7.130 3.355 -3.696 1.00 0.00 O ATOM 1415 CB GLN B 49 6.563 0.148 -3.507 1.00 0.00 C ATOM 1416 CG GLN B 49 7.356 -0.882 -4.319 1.00 0.00 C ATOM 1417 CD GLN B 49 8.297 -1.668 -3.412 1.00 0.00 C ATOM 1418 OE1 GLN B 49 7.849 -2.369 -2.508 1.00 0.00 O ATOM 1419 NE2 GLN B 49 9.586 -1.591 -3.601 1.00 0.00 N ATOM 0 H GLN B 49 7.335 -0.094 -1.168 1.00 0.00 H new ATOM 0 HA GLN B 49 8.436 1.186 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.970 -0.356 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.865 0.677 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.670 -1.565 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN B 49 7.929 -0.377 -5.097 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.958 -1.009 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN B 49 10.222 -2.113 -2.998 1.00 0.00 H new ATOM 1428 N PHE B 50 6.117 2.794 -1.765 1.00 0.00 N ATOM 1429 CA PHE B 50 5.471 4.092 -1.614 1.00 0.00 C ATOM 1430 C PHE B 50 6.505 5.211 -1.537 1.00 0.00 C ATOM 1431 O PHE B 50 6.369 6.239 -2.198 1.00 0.00 O ATOM 1432 CB PHE B 50 4.577 4.120 -0.366 1.00 0.00 C ATOM 1433 CG PHE B 50 4.075 5.531 -0.143 1.00 0.00 C ATOM 1434 CD1 PHE B 50 3.338 6.179 -1.145 1.00 0.00 C ATOM 1435 CD2 PHE B 50 4.373 6.206 1.053 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.898 7.491 -0.953 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.932 7.524 1.239 1.00 0.00 C ATOM 1438 CZ PHE B 50 3.196 8.164 0.237 1.00 0.00 C ATOM 0 H PHE B 50 5.915 2.128 -1.019 1.00 0.00 H new ATOM 0 HA PHE B 50 4.847 4.253 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.736 3.438 -0.491 1.00 0.00 H new ATOM 0 HB3 PHE B 50 5.137 3.779 0.505 1.00 0.00 H new ATOM 0 HD1 PHE B 50 3.110 5.663 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.940 5.711 1.827 1.00 0.00 H new ATOM 0 HE1 PHE B 50 2.327 7.987 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE B 50 4.161 8.045 2.157 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.857 9.179 0.382 1.00 0.00 H new ATOM 1448 N ARG B 51 7.535 5.017 -0.722 1.00 0.00 N ATOM 1449 CA ARG B 51 8.571 6.033 -0.575 1.00 0.00 C ATOM 1450 C ARG B 51 9.253 6.291 -1.918 1.00 0.00 C ATOM 1451 O ARG B 51 9.580 7.431 -2.247 1.00 0.00 O ATOM 1452 CB ARG B 51 9.614 5.585 0.454 1.00 0.00 C ATOM 1453 CG ARG B 51 8.988 5.551 1.853 1.00 0.00 C ATOM 1454 CD ARG B 51 9.816 6.415 2.807 1.00 0.00 C ATOM 1455 NE ARG B 51 9.685 7.823 2.449 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.333 8.769 3.120 1.00 0.00 C ATOM 1457 NH1 ARG B 51 11.099 8.446 4.127 1.00 0.00 N ATOM 1458 NH2 ARG B 51 10.203 10.021 2.775 1.00 0.00 N ATOM 0 H ARG B 51 7.675 4.178 -0.160 1.00 0.00 H new ATOM 0 HA ARG B 51 8.103 6.955 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.994 4.598 0.193 1.00 0.00 H new ATOM 0 HB3 ARG B 51 10.464 6.267 0.443 1.00 0.00 H new ATOM 0 HG2 ARG B 51 7.962 5.917 1.812 1.00 0.00 H new ATOM 0 HG3 ARG B 51 8.946 4.525 2.219 1.00 0.00 H new ATOM 0 HD2 ARG B 51 9.482 6.260 3.833 1.00 0.00 H new ATOM 0 HD3 ARG B 51 10.863 6.117 2.764 1.00 0.00 H new ATOM 0 HE ARG B 51 9.084 8.086 1.668 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.200 7.468 4.398 1.00 0.00 H new ATOM 0 HH12 ARG B 51 11.597 9.172 4.643 1.00 0.00 H new ATOM 0 HH21 ARG B 51 9.603 10.274 1.990 1.00 0.00 H new ATOM 0 HH22 ARG B 51 10.701 10.746 3.291 1.00 0.00 H new ATOM 1472 N LYS B 52 9.454 5.229 -2.692 1.00 0.00 N ATOM 1473 CA LYS B 52 10.088 5.362 -4.001 1.00 0.00 C ATOM 1474 C LYS B 52 9.254 6.266 -4.904 1.00 0.00 C ATOM 1475 O LYS B 52 9.793 7.059 -5.676 1.00 0.00 O ATOM 1476 CB LYS B 52 10.242 3.988 -4.656 1.00 0.00 C ATOM 1477 CG LYS B 52 11.300 3.176 -3.907 1.00 0.00 C ATOM 1478 CD LYS B 52 11.453 1.805 -4.568 1.00 0.00 C ATOM 1479 CE LYS B 52 12.518 0.993 -3.827 1.00 0.00 C ATOM 1480 NZ LYS B 52 12.660 -0.343 -4.470 1.00 0.00 N ATOM 0 H LYS B 52 9.191 4.276 -2.440 1.00 0.00 H new ATOM 0 HA LYS B 52 11.074 5.806 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS B 52 9.289 3.460 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS B 52 10.530 4.103 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS B 52 12.253 3.704 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS B 52 11.011 3.058 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS B 52 10.501 1.275 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS B 52 11.735 1.924 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.472 1.521 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS B 52 12.239 0.877 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 12.813 -1.066 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 11.795 -0.566 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 13.472 -0.331 -5.119 1.00 0.00 H new ATOM 1494 N PHE B 53 7.936 6.140 -4.797 1.00 0.00 N ATOM 1495 CA PHE B 53 7.025 6.945 -5.604 1.00 0.00 C ATOM 1496 C PHE B 53 7.265 8.431 -5.344 1.00 0.00 C ATOM 1497 O PHE B 53 7.329 9.232 -6.276 1.00 0.00 O ATOM 1498 CB PHE B 53 5.578 6.589 -5.258 1.00 0.00 C ATOM 1499 CG PHE B 53 4.626 7.363 -6.137 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.241 6.842 -7.379 1.00 0.00 C ATOM 1501 CD2 PHE B 53 4.114 8.593 -5.706 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.347 7.553 -8.189 1.00 0.00 C ATOM 1503 CE2 PHE B 53 3.218 9.302 -6.516 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.835 8.781 -7.758 1.00 0.00 C ATOM 0 H PHE B 53 7.475 5.490 -4.161 1.00 0.00 H new ATOM 0 HA PHE B 53 7.208 6.736 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.418 5.519 -5.390 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.381 6.814 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.633 5.892 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE B 53 4.410 8.995 -4.748 1.00 0.00 H new ATOM 0 HE1 PHE B 53 3.052 7.153 -9.148 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.823 10.250 -6.183 1.00 0.00 H new ATOM 0 HZ PHE B 53 2.144 9.327 -8.383 1.00 0.00 H new ATOM 1514 N GLN B 54 7.390 8.790 -4.069 1.00 0.00 N ATOM 1515 CA GLN B 54 7.615 10.184 -3.692 1.00 0.00 C ATOM 1516 C GLN B 54 8.929 10.701 -4.272 1.00 0.00 C ATOM 1517 O GLN B 54 9.011 11.844 -4.721 1.00 0.00 O ATOM 1518 CB GLN B 54 7.664 10.311 -2.168 1.00 0.00 C ATOM 1519 CG GLN B 54 6.276 10.054 -1.581 1.00 0.00 C ATOM 1520 CD GLN B 54 6.316 10.231 -0.067 1.00 0.00 C ATOM 1521 OE1 GLN B 54 6.763 11.266 0.427 1.00 0.00 O ATOM 1522 NE2 GLN B 54 5.882 9.272 0.703 1.00 0.00 N ATOM 0 H GLN B 54 7.340 8.141 -3.284 1.00 0.00 H new ATOM 0 HA GLN B 54 6.792 10.777 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.380 9.599 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN B 54 8.009 11.306 -1.888 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.553 10.743 -2.018 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.947 9.045 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN B 54 5.512 8.415 0.291 1.00 0.00 H new ATOM 0 HE22 GLN B 54 5.913 9.379 1.717 1.00 0.00 H new ATOM 1531 N LYS B 55 9.955 9.857 -4.252 1.00 0.00 N ATOM 1532 CA LYS B 55 11.261 10.248 -4.772 1.00 0.00 C ATOM 1533 C LYS B 55 11.176 10.583 -6.255 1.00 0.00 C ATOM 1534 O LYS B 55 11.815 11.526 -6.722 1.00 0.00 O ATOM 1535 CB LYS B 55 12.278 9.125 -4.551 1.00 0.00 C ATOM 1536 CG LYS B 55 12.605 9.025 -3.057 1.00 0.00 C ATOM 1537 CD LYS B 55 13.467 7.785 -2.775 1.00 0.00 C ATOM 1538 CE LYS B 55 14.883 7.982 -3.326 1.00 0.00 C ATOM 1539 NZ LYS B 55 15.754 6.866 -2.859 1.00 0.00 N ATOM 0 H LYS B 55 9.910 8.906 -3.885 1.00 0.00 H new ATOM 0 HA LYS B 55 11.587 11.138 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.876 8.178 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.186 9.323 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS B 55 13.132 9.923 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.682 8.972 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS B 55 13.510 7.601 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.011 6.906 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.861 8.010 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS B 55 15.286 8.938 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 16.716 6.997 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.783 6.860 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.371 5.961 -3.200 1.00 0.00 H new