USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 103 GLN : amide:sc= -0.506 X(o=-4.1,f=-3.7) USER MOD Set 1.2: A 108 GLN : amide:sc= -3.61! C(o=-4.1!,f=-3.4!) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot -130:sc=-0.00402 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.968 K(o=-0.97,f=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 24:sc= 0.9 USER MOD Single : A 94 ASN : amide:sc= -10! C(o=-10!,f=-5.4!) USER MOD Single : A 95 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-2.3!) USER MOD Single : A 96 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3.7!) USER MOD Single : A 100 CYS SG : rot -116:sc= 1.23 USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 105 LYS NZ :NH3+ -137:sc= -1.32! (180deg=-4.19!) USER MOD Single : A 106 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.77) USER MOD Single : A 113 SER OG : rot 52:sc= 0.0809 USER MOD Single : A 114 ASN : amide:sc= -0.533 K(o=-0.53,f=-6.1!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.262 1.357 -1.363 1.00 1.00 C ATOM 15 O LEU A 65 5.446 2.250 -1.140 1.00 1.00 O ATOM 16 CB LEU A 65 6.455 -0.392 -3.225 1.00 1.00 C ATOM 17 CG LEU A 65 6.623 -1.893 -3.473 1.00 1.00 C ATOM 18 CD1 LEU A 65 7.449 -2.542 -2.361 1.00 1.00 C ATOM 19 CD2 LEU A 65 5.266 -2.574 -3.651 1.00 1.00 C ATOM 0 HA LEU A 65 6.120 -0.753 -1.179 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.861 0.026 -4.038 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.438 0.077 -3.275 1.00 1.00 H new ATOM 0 HG LEU A 65 7.174 -2.027 -4.404 1.00 1.00 H new ATOM 0 HD11 LEU A 65 7.554 -3.608 -2.561 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.436 -2.081 -2.325 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.947 -2.400 -1.404 1.00 1.00 H new ATOM 0 HD21 LEU A 65 5.414 -3.640 -3.826 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.668 -2.434 -2.751 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.748 -2.135 -4.503 1.00 1.00 H new ATOM 31 N PHE A 66 7.569 1.470 -1.173 1.00 1.00 N ATOM 32 CA PHE A 66 8.148 2.703 -0.669 1.00 1.00 C ATOM 33 C PHE A 66 9.148 3.289 -1.668 1.00 1.00 C ATOM 34 O PHE A 66 9.766 2.553 -2.435 1.00 1.00 O ATOM 35 CB PHE A 66 8.884 2.354 0.627 1.00 1.00 C ATOM 36 CG PHE A 66 8.328 1.123 1.346 1.00 1.00 C ATOM 37 CD1 PHE A 66 8.666 -0.123 0.920 1.00 1.00 C ATOM 38 CD2 PHE A 66 7.497 1.276 2.411 1.00 1.00 C ATOM 39 CE1 PHE A 66 8.151 -1.265 1.587 1.00 1.00 C ATOM 40 CE2 PHE A 66 6.981 0.134 3.079 1.00 1.00 C ATOM 41 CZ PHE A 66 7.319 -1.113 2.653 1.00 1.00 C ATOM 0 H PHE A 66 8.243 0.727 -1.359 1.00 1.00 H new ATOM 0 HA PHE A 66 7.364 3.442 -0.506 1.00 1.00 H new ATOM 0 HB2 PHE A 66 9.937 2.185 0.401 1.00 1.00 H new ATOM 0 HB3 PHE A 66 8.836 3.209 1.302 1.00 1.00 H new ATOM 0 HD1 PHE A 66 9.326 -0.244 0.074 1.00 1.00 H new ATOM 0 HD2 PHE A 66 7.229 2.266 2.749 1.00 1.00 H new ATOM 0 HE1 PHE A 66 8.419 -2.255 1.248 1.00 1.00 H new ATOM 0 HE2 PHE A 66 6.321 0.255 3.925 1.00 1.00 H new ATOM 0 HZ PHE A 66 6.927 -1.982 3.161 1.00 1.00 H new ATOM 51 N VAL A 67 9.275 4.607 -1.625 1.00 1.00 N ATOM 52 CA VAL A 67 10.190 5.299 -2.517 1.00 1.00 C ATOM 53 C VAL A 67 11.350 5.876 -1.703 1.00 1.00 C ATOM 54 O VAL A 67 11.438 5.654 -0.497 1.00 1.00 O ATOM 55 CB VAL A 67 9.435 6.362 -3.318 1.00 1.00 C ATOM 56 CG1 VAL A 67 8.859 5.771 -4.607 1.00 1.00 C ATOM 57 CG2 VAL A 67 8.336 7.009 -2.472 1.00 1.00 C ATOM 0 H VAL A 67 8.760 5.214 -0.987 1.00 1.00 H new ATOM 0 HA VAL A 67 10.615 4.605 -3.242 1.00 1.00 H new ATOM 0 HB VAL A 67 10.146 7.140 -3.595 1.00 1.00 H new ATOM 0 HG11 VAL A 67 8.327 6.547 -5.157 1.00 1.00 H new ATOM 0 HG12 VAL A 67 9.670 5.380 -5.222 1.00 1.00 H new ATOM 0 HG13 VAL A 67 8.169 4.964 -4.361 1.00 1.00 H new ATOM 0 HG21 VAL A 67 7.815 7.761 -3.065 1.00 1.00 H new ATOM 0 HG22 VAL A 67 7.628 6.246 -2.150 1.00 1.00 H new ATOM 0 HG23 VAL A 67 8.782 7.482 -1.597 1.00 1.00 H new ATOM 67 N ALA A 68 12.212 6.605 -2.397 1.00 1.00 N ATOM 68 CA ALA A 68 13.363 7.215 -1.754 1.00 1.00 C ATOM 69 C ALA A 68 12.888 8.317 -0.804 1.00 1.00 C ATOM 70 O ALA A 68 12.051 9.139 -1.172 1.00 1.00 O ATOM 71 CB ALA A 68 14.326 7.741 -2.821 1.00 1.00 C ATOM 0 H ALA A 68 12.136 6.787 -3.398 1.00 1.00 H new ATOM 0 HA ALA A 68 13.905 6.479 -1.160 1.00 1.00 H new ATOM 0 HB1 ALA A 68 15.189 8.199 -2.338 1.00 1.00 H new ATOM 0 HB2 ALA A 68 14.658 6.915 -3.451 1.00 1.00 H new ATOM 0 HB3 ALA A 68 13.818 8.484 -3.435 1.00 1.00 H new ATOM 77 N LEU A 69 13.442 8.297 0.399 1.00 1.00 N ATOM 78 CA LEU A 69 13.085 9.284 1.404 1.00 1.00 C ATOM 79 C LEU A 69 14.181 10.349 1.478 1.00 1.00 C ATOM 80 O LEU A 69 14.050 11.421 0.888 1.00 1.00 O ATOM 81 CB LEU A 69 12.797 8.604 2.744 1.00 1.00 C ATOM 82 CG LEU A 69 12.844 9.507 3.978 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.737 10.562 3.928 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.790 8.680 5.264 1.00 1.00 C ATOM 0 H LEU A 69 14.136 7.613 0.701 1.00 1.00 H new ATOM 0 HA LEU A 69 12.162 9.794 1.127 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.810 8.145 2.691 1.00 1.00 H new ATOM 0 HB3 LEU A 69 13.516 7.797 2.881 1.00 1.00 H new ATOM 0 HG LEU A 69 13.795 10.039 3.976 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.793 11.191 4.817 1.00 1.00 H new ATOM 0 HD12 LEU A 69 11.863 11.179 3.039 1.00 1.00 H new ATOM 0 HD13 LEU A 69 10.766 10.069 3.893 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.825 9.346 6.126 1.00 1.00 H new ATOM 0 HD22 LEU A 69 11.865 8.104 5.288 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.642 8.000 5.296 1.00 1.00 H new ATOM 96 N TYR A 70 15.236 10.018 2.208 1.00 1.00 N ATOM 97 CA TYR A 70 16.353 10.933 2.367 1.00 1.00 C ATOM 98 C TYR A 70 17.498 10.570 1.418 1.00 1.00 C ATOM 99 O TYR A 70 17.533 9.467 0.875 1.00 1.00 O ATOM 100 CB TYR A 70 16.831 10.768 3.811 1.00 1.00 C ATOM 101 CG TYR A 70 16.001 11.546 4.833 1.00 1.00 C ATOM 102 CD1 TYR A 70 15.678 12.867 4.598 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.576 10.927 5.992 1.00 1.00 C ATOM 104 CE1 TYR A 70 14.897 13.600 5.561 1.00 1.00 C ATOM 105 CE2 TYR A 70 14.795 11.660 6.954 1.00 1.00 C ATOM 106 CZ TYR A 70 14.494 12.960 6.692 1.00 1.00 C ATOM 107 OH TYR A 70 13.756 13.652 7.601 1.00 1.00 O ATOM 0 H TYR A 70 15.341 9.128 2.696 1.00 1.00 H new ATOM 0 HA TYR A 70 16.047 11.955 2.142 1.00 1.00 H new ATOM 0 HB2 TYR A 70 16.810 9.710 4.071 1.00 1.00 H new ATOM 0 HB3 TYR A 70 17.869 11.093 3.879 1.00 1.00 H new ATOM 0 HD1 TYR A 70 16.011 13.351 3.692 1.00 1.00 H new ATOM 0 HD2 TYR A 70 15.829 9.894 6.177 1.00 1.00 H new ATOM 0 HE1 TYR A 70 14.637 14.634 5.389 1.00 1.00 H new ATOM 0 HE2 TYR A 70 14.456 11.188 7.864 1.00 1.00 H new ATOM 0 HH TYR A 70 13.538 13.069 8.358 1.00 1.00 H new ATOM 117 N ASP A 71 18.406 11.520 1.249 1.00 1.00 N ATOM 118 CA ASP A 71 19.549 11.314 0.376 1.00 1.00 C ATOM 119 C ASP A 71 20.559 10.400 1.072 1.00 1.00 C ATOM 120 O ASP A 71 20.446 10.142 2.269 1.00 1.00 O ATOM 121 CB ASP A 71 20.248 12.639 0.062 1.00 1.00 C ATOM 122 CG ASP A 71 19.313 13.836 -0.117 1.00 1.00 C ATOM 123 OD1 ASP A 71 18.570 14.126 0.845 1.00 1.00 O ATOM 124 OD2 ASP A 71 19.362 14.435 -1.214 1.00 1.00 O ATOM 0 H ASP A 71 18.373 12.434 1.701 1.00 1.00 H new ATOM 0 HA ASP A 71 19.189 10.867 -0.551 1.00 1.00 H new ATOM 0 HB2 ASP A 71 20.949 12.862 0.866 1.00 1.00 H new ATOM 0 HB3 ASP A 71 20.835 12.516 -0.848 1.00 1.00 H new ATOM 129 N PHE A 72 21.525 9.935 0.292 1.00 1.00 N ATOM 130 CA PHE A 72 22.554 9.055 0.819 1.00 1.00 C ATOM 131 C PHE A 72 23.876 9.804 0.999 1.00 1.00 C ATOM 132 O PHE A 72 24.139 10.783 0.302 1.00 1.00 O ATOM 133 CB PHE A 72 22.751 7.935 -0.204 1.00 1.00 C ATOM 134 CG PHE A 72 22.961 6.553 0.419 1.00 1.00 C ATOM 135 CD1 PHE A 72 24.088 6.294 1.134 1.00 1.00 C ATOM 136 CD2 PHE A 72 22.020 5.584 0.257 1.00 1.00 C ATOM 137 CE1 PHE A 72 24.283 5.012 1.712 1.00 1.00 C ATOM 138 CE2 PHE A 72 22.215 4.302 0.835 1.00 1.00 C ATOM 139 CZ PHE A 72 23.343 4.043 1.550 1.00 1.00 C ATOM 0 H PHE A 72 21.616 10.151 -0.701 1.00 1.00 H new ATOM 0 HA PHE A 72 22.251 8.668 1.792 1.00 1.00 H new ATOM 0 HB2 PHE A 72 21.881 7.898 -0.859 1.00 1.00 H new ATOM 0 HB3 PHE A 72 23.611 8.175 -0.829 1.00 1.00 H new ATOM 0 HD1 PHE A 72 24.835 7.063 1.262 1.00 1.00 H new ATOM 0 HD2 PHE A 72 21.125 5.790 -0.311 1.00 1.00 H new ATOM 0 HE1 PHE A 72 25.178 4.806 2.280 1.00 1.00 H new ATOM 0 HE2 PHE A 72 21.468 3.533 0.707 1.00 1.00 H new ATOM 0 HZ PHE A 72 23.492 3.068 1.989 1.00 1.00 H new ATOM 149 N VAL A 73 24.673 9.315 1.938 1.00 1.00 N ATOM 150 CA VAL A 73 25.962 9.926 2.218 1.00 1.00 C ATOM 151 C VAL A 73 27.072 8.905 1.961 1.00 1.00 C ATOM 152 O VAL A 73 26.927 7.729 2.290 1.00 1.00 O ATOM 153 CB VAL A 73 25.978 10.482 3.643 1.00 1.00 C ATOM 154 CG1 VAL A 73 27.365 11.017 4.007 1.00 1.00 C ATOM 155 CG2 VAL A 73 24.909 11.561 3.824 1.00 1.00 C ATOM 0 H VAL A 73 24.451 8.503 2.514 1.00 1.00 H new ATOM 0 HA VAL A 73 26.138 10.771 1.552 1.00 1.00 H new ATOM 0 HB VAL A 73 25.745 9.664 4.324 1.00 1.00 H new ATOM 0 HG11 VAL A 73 27.349 11.406 5.025 1.00 1.00 H new ATOM 0 HG12 VAL A 73 28.095 10.211 3.938 1.00 1.00 H new ATOM 0 HG13 VAL A 73 27.640 11.815 3.317 1.00 1.00 H new ATOM 0 HG21 VAL A 73 24.943 11.939 4.846 1.00 1.00 H new ATOM 0 HG22 VAL A 73 25.096 12.379 3.128 1.00 1.00 H new ATOM 0 HG23 VAL A 73 23.925 11.135 3.627 1.00 1.00 H new ATOM 165 N ALA A 74 28.156 9.392 1.375 1.00 1.00 N ATOM 166 CA ALA A 74 29.290 8.536 1.071 1.00 1.00 C ATOM 167 C ALA A 74 29.600 7.657 2.283 1.00 1.00 C ATOM 168 O ALA A 74 29.401 8.073 3.424 1.00 1.00 O ATOM 169 CB ALA A 74 30.484 9.399 0.656 1.00 1.00 C ATOM 0 H ALA A 74 28.273 10.368 1.103 1.00 1.00 H new ATOM 0 HA ALA A 74 29.059 7.875 0.236 1.00 1.00 H new ATOM 0 HB1 ALA A 74 31.335 8.757 0.428 1.00 1.00 H new ATOM 0 HB2 ALA A 74 30.222 9.982 -0.227 1.00 1.00 H new ATOM 0 HB3 ALA A 74 30.746 10.073 1.471 1.00 1.00 H new ATOM 175 N SER A 75 30.082 6.456 1.996 1.00 1.00 N ATOM 176 CA SER A 75 30.421 5.514 3.049 1.00 1.00 C ATOM 177 C SER A 75 31.582 4.624 2.600 1.00 1.00 C ATOM 178 O SER A 75 31.965 4.640 1.432 1.00 1.00 O ATOM 179 CB SER A 75 29.213 4.657 3.432 1.00 1.00 C ATOM 180 OG SER A 75 29.156 4.411 4.834 1.00 1.00 O ATOM 0 H SER A 75 30.246 6.114 1.049 1.00 1.00 H new ATOM 0 HA SER A 75 30.724 6.080 3.930 1.00 1.00 H new ATOM 0 HB2 SER A 75 28.298 5.157 3.114 1.00 1.00 H new ATOM 0 HB3 SER A 75 29.259 3.707 2.899 1.00 1.00 H new ATOM 0 HG SER A 75 28.370 3.862 5.038 1.00 1.00 H new ATOM 186 N GLY A 76 32.109 3.870 3.553 1.00 1.00 N ATOM 187 CA GLY A 76 33.219 2.975 3.271 1.00 1.00 C ATOM 188 C GLY A 76 32.721 1.554 2.997 1.00 1.00 C ATOM 189 O GLY A 76 32.563 1.160 1.842 1.00 1.00 O ATOM 0 H GLY A 76 31.788 3.860 4.521 1.00 1.00 H new ATOM 0 HA2 GLY A 76 33.776 3.341 2.409 1.00 1.00 H new ATOM 0 HA3 GLY A 76 33.908 2.966 4.116 1.00 1.00 H new ATOM 193 N ASP A 77 32.488 0.824 4.077 1.00 1.00 N ATOM 194 CA ASP A 77 32.012 -0.544 3.967 1.00 1.00 C ATOM 195 C ASP A 77 30.873 -0.603 2.948 1.00 1.00 C ATOM 196 O ASP A 77 30.380 0.432 2.503 1.00 1.00 O ATOM 197 CB ASP A 77 31.474 -1.049 5.307 1.00 1.00 C ATOM 198 CG ASP A 77 30.209 -0.345 5.803 1.00 1.00 C ATOM 199 OD1 ASP A 77 30.298 0.879 6.040 1.00 1.00 O ATOM 200 OD2 ASP A 77 29.183 -1.046 5.934 1.00 1.00 O ATOM 0 H ASP A 77 32.620 1.154 5.033 1.00 1.00 H new ATOM 0 HA ASP A 77 32.850 -1.168 3.656 1.00 1.00 H new ATOM 0 HB2 ASP A 77 31.267 -2.116 5.220 1.00 1.00 H new ATOM 0 HB3 ASP A 77 32.254 -0.936 6.060 1.00 1.00 H new ATOM 205 N ASN A 78 30.488 -1.824 2.608 1.00 1.00 N ATOM 206 CA ASN A 78 29.416 -2.031 1.649 1.00 1.00 C ATOM 207 C ASN A 78 28.317 -0.995 1.888 1.00 1.00 C ATOM 208 O ASN A 78 27.620 -1.045 2.901 1.00 1.00 O ATOM 209 CB ASN A 78 28.797 -3.422 1.806 1.00 1.00 C ATOM 210 CG ASN A 78 29.882 -4.494 1.930 1.00 1.00 C ATOM 211 OD1 ASN A 78 30.340 -5.066 0.954 1.00 1.00 O ATOM 212 ND2 ASN A 78 30.266 -4.733 3.180 1.00 1.00 N ATOM 0 H ASN A 78 30.899 -2.680 2.979 1.00 1.00 H new ATOM 0 HA ASN A 78 29.836 -1.934 0.648 1.00 1.00 H new ATOM 0 HB2 ASN A 78 28.158 -3.442 2.689 1.00 1.00 H new ATOM 0 HB3 ASN A 78 28.161 -3.640 0.948 1.00 1.00 H new ATOM 0 HD21 ASN A 78 30.985 -5.431 3.368 1.00 1.00 H new ATOM 0 HD22 ASN A 78 29.841 -4.218 3.951 1.00 1.00 H new ATOM 219 N THR A 79 28.195 -0.079 0.938 1.00 1.00 N ATOM 220 CA THR A 79 27.191 0.968 1.033 1.00 1.00 C ATOM 221 C THR A 79 26.601 1.268 -0.347 1.00 1.00 C ATOM 222 O THR A 79 27.064 0.733 -1.353 1.00 1.00 O ATOM 223 CB THR A 79 27.840 2.186 1.694 1.00 1.00 C ATOM 224 OG1 THR A 79 27.129 2.336 2.920 1.00 1.00 O ATOM 225 CG2 THR A 79 27.555 3.485 0.936 1.00 1.00 C ATOM 0 H THR A 79 28.774 -0.040 0.099 1.00 1.00 H new ATOM 0 HA THR A 79 26.349 0.654 1.651 1.00 1.00 H new ATOM 0 HB THR A 79 28.917 2.033 1.759 1.00 1.00 H new ATOM 0 HG1 THR A 79 26.835 3.266 3.016 1.00 1.00 H new ATOM 0 HG21 THR A 79 28.038 4.318 1.447 1.00 1.00 H new ATOM 0 HG22 THR A 79 27.944 3.407 -0.079 1.00 1.00 H new ATOM 0 HG23 THR A 79 26.479 3.657 0.900 1.00 1.00 H new ATOM 233 N LEU A 80 25.588 2.122 -0.349 1.00 1.00 N ATOM 234 CA LEU A 80 24.930 2.499 -1.588 1.00 1.00 C ATOM 235 C LEU A 80 24.787 4.021 -1.642 1.00 1.00 C ATOM 236 O LEU A 80 24.110 4.614 -0.804 1.00 1.00 O ATOM 237 CB LEU A 80 23.604 1.751 -1.740 1.00 1.00 C ATOM 238 CG LEU A 80 23.209 1.369 -3.167 1.00 1.00 C ATOM 239 CD1 LEU A 80 21.848 0.670 -3.191 1.00 1.00 C ATOM 240 CD2 LEU A 80 23.243 2.588 -4.091 1.00 1.00 C ATOM 0 H LEU A 80 25.207 2.563 0.488 1.00 1.00 H new ATOM 0 HA LEU A 80 25.535 2.205 -2.445 1.00 1.00 H new ATOM 0 HB2 LEU A 80 23.652 0.841 -1.142 1.00 1.00 H new ATOM 0 HB3 LEU A 80 22.811 2.368 -1.318 1.00 1.00 H new ATOM 0 HG LEU A 80 23.943 0.658 -3.545 1.00 1.00 H new ATOM 0 HD11 LEU A 80 21.591 0.409 -4.218 1.00 1.00 H new ATOM 0 HD12 LEU A 80 21.894 -0.236 -2.587 1.00 1.00 H new ATOM 0 HD13 LEU A 80 21.088 1.338 -2.786 1.00 1.00 H new ATOM 0 HD21 LEU A 80 22.958 2.288 -5.099 1.00 1.00 H new ATOM 0 HD22 LEU A 80 22.545 3.341 -3.725 1.00 1.00 H new ATOM 0 HD23 LEU A 80 24.250 3.004 -4.107 1.00 1.00 H new ATOM 252 N SER A 81 25.437 4.610 -2.636 1.00 1.00 N ATOM 253 CA SER A 81 25.390 6.051 -2.810 1.00 1.00 C ATOM 254 C SER A 81 24.339 6.418 -3.859 1.00 1.00 C ATOM 255 O SER A 81 24.527 6.164 -5.047 1.00 1.00 O ATOM 256 CB SER A 81 26.759 6.601 -3.215 1.00 1.00 C ATOM 257 OG SER A 81 27.764 6.295 -2.253 1.00 1.00 O ATOM 0 H SER A 81 25.999 4.115 -3.329 1.00 1.00 H new ATOM 0 HA SER A 81 25.114 6.502 -1.857 1.00 1.00 H new ATOM 0 HB2 SER A 81 27.045 6.186 -4.182 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.693 7.682 -3.339 1.00 1.00 H new ATOM 0 HG SER A 81 28.623 6.662 -2.549 1.00 1.00 H new ATOM 263 N ILE A 82 23.254 7.011 -3.381 1.00 1.00 N ATOM 264 CA ILE A 82 22.173 7.415 -4.263 1.00 1.00 C ATOM 265 C ILE A 82 21.697 8.816 -3.870 1.00 1.00 C ATOM 266 O ILE A 82 22.159 9.376 -2.878 1.00 1.00 O ATOM 267 CB ILE A 82 21.060 6.365 -4.262 1.00 1.00 C ATOM 268 CG1 ILE A 82 21.616 4.977 -3.937 1.00 1.00 C ATOM 269 CG2 ILE A 82 20.292 6.380 -5.586 1.00 1.00 C ATOM 270 CD1 ILE A 82 20.485 3.967 -3.738 1.00 1.00 C ATOM 0 H ILE A 82 23.101 7.221 -2.395 1.00 1.00 H new ATOM 0 HA ILE A 82 22.523 7.474 -5.293 1.00 1.00 H new ATOM 0 HB ILE A 82 20.350 6.619 -3.475 1.00 1.00 H new ATOM 0 HG12 ILE A 82 22.268 4.644 -4.745 1.00 1.00 H new ATOM 0 HG13 ILE A 82 22.226 5.028 -3.035 1.00 1.00 H new ATOM 0 HG21 ILE A 82 19.507 5.625 -5.560 1.00 1.00 H new ATOM 0 HG22 ILE A 82 19.845 7.363 -5.736 1.00 1.00 H new ATOM 0 HG23 ILE A 82 20.976 6.163 -6.406 1.00 1.00 H new ATOM 0 HD11 ILE A 82 20.907 2.989 -3.508 1.00 1.00 H new ATOM 0 HD12 ILE A 82 19.849 4.291 -2.914 1.00 1.00 H new ATOM 0 HD13 ILE A 82 19.892 3.901 -4.650 1.00 1.00 H new ATOM 282 N THR A 83 20.779 9.340 -4.669 1.00 1.00 N ATOM 283 CA THR A 83 20.236 10.664 -4.417 1.00 1.00 C ATOM 284 C THR A 83 18.712 10.600 -4.292 1.00 1.00 C ATOM 285 O THR A 83 18.084 9.664 -4.785 1.00 1.00 O ATOM 286 CB THR A 83 20.715 11.592 -5.535 1.00 1.00 C ATOM 287 OG1 THR A 83 22.090 11.255 -5.700 1.00 1.00 O ATOM 288 CG2 THR A 83 20.740 13.060 -5.107 1.00 1.00 C ATOM 0 H THR A 83 20.398 8.872 -5.491 1.00 1.00 H new ATOM 0 HA THR A 83 20.593 11.064 -3.468 1.00 1.00 H new ATOM 0 HB THR A 83 20.067 11.479 -6.404 1.00 1.00 H new ATOM 0 HG1 THR A 83 22.480 11.809 -6.408 1.00 1.00 H new ATOM 0 HG21 THR A 83 21.087 13.675 -5.937 1.00 1.00 H new ATOM 0 HG22 THR A 83 19.736 13.372 -4.819 1.00 1.00 H new ATOM 0 HG23 THR A 83 21.415 13.180 -4.259 1.00 1.00 H new ATOM 296 N LYS A 84 18.162 11.607 -3.630 1.00 1.00 N ATOM 297 CA LYS A 84 16.725 11.677 -3.434 1.00 1.00 C ATOM 298 C LYS A 84 16.042 11.932 -4.780 1.00 1.00 C ATOM 299 O LYS A 84 16.705 11.995 -5.814 1.00 1.00 O ATOM 300 CB LYS A 84 16.380 12.715 -2.364 1.00 1.00 C ATOM 301 CG LYS A 84 15.930 14.032 -3.001 1.00 1.00 C ATOM 302 CD LYS A 84 16.944 14.510 -4.043 1.00 1.00 C ATOM 303 CE LYS A 84 16.250 14.862 -5.361 1.00 1.00 C ATOM 304 NZ LYS A 84 16.604 16.236 -5.782 1.00 1.00 N ATOM 0 H LYS A 84 18.686 12.381 -3.223 1.00 1.00 H new ATOM 0 HA LYS A 84 16.346 10.727 -3.058 1.00 1.00 H new ATOM 0 HB2 LYS A 84 15.589 12.330 -1.720 1.00 1.00 H new ATOM 0 HB3 LYS A 84 17.249 12.892 -1.730 1.00 1.00 H new ATOM 0 HG2 LYS A 84 14.955 13.899 -3.471 1.00 1.00 H new ATOM 0 HG3 LYS A 84 15.811 14.792 -2.229 1.00 1.00 H new ATOM 0 HD2 LYS A 84 17.477 15.382 -3.664 1.00 1.00 H new ATOM 0 HD3 LYS A 84 17.688 13.732 -4.216 1.00 1.00 H new ATOM 0 HE2 LYS A 84 16.543 14.152 -6.134 1.00 1.00 H new ATOM 0 HE3 LYS A 84 15.170 14.778 -5.244 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 16.125 16.459 -6.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 16.303 16.912 -5.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 17.633 16.304 -5.914 1.00 1.00 H new ATOM 318 N GLY A 85 14.726 12.071 -4.723 1.00 1.00 N ATOM 319 CA GLY A 85 13.947 12.317 -5.924 1.00 1.00 C ATOM 320 C GLY A 85 14.543 11.580 -7.125 1.00 1.00 C ATOM 321 O GLY A 85 14.654 12.144 -8.212 1.00 1.00 O ATOM 0 H GLY A 85 14.179 12.018 -3.863 1.00 1.00 H new ATOM 0 HA2 GLY A 85 12.918 11.992 -5.767 1.00 1.00 H new ATOM 0 HA3 GLY A 85 13.916 13.387 -6.129 1.00 1.00 H new ATOM 325 N GLU A 86 14.912 10.329 -6.888 1.00 1.00 N ATOM 326 CA GLU A 86 15.494 9.509 -7.936 1.00 1.00 C ATOM 327 C GLU A 86 14.892 8.102 -7.906 1.00 1.00 C ATOM 328 O GLU A 86 14.107 7.779 -7.016 1.00 1.00 O ATOM 329 CB GLU A 86 17.018 9.456 -7.808 1.00 1.00 C ATOM 330 CG GLU A 86 17.677 9.279 -9.178 1.00 1.00 C ATOM 331 CD GLU A 86 18.541 8.017 -9.211 1.00 1.00 C ATOM 332 OE1 GLU A 86 17.946 6.920 -9.144 1.00 1.00 O ATOM 333 OE2 GLU A 86 19.777 8.178 -9.303 1.00 1.00 O ATOM 0 H GLU A 86 14.819 9.864 -5.985 1.00 1.00 H new ATOM 0 HA GLU A 86 15.258 9.963 -8.898 1.00 1.00 H new ATOM 0 HB2 GLU A 86 17.380 10.373 -7.342 1.00 1.00 H new ATOM 0 HB3 GLU A 86 17.303 8.632 -7.154 1.00 1.00 H new ATOM 0 HG2 GLU A 86 16.910 9.219 -9.950 1.00 1.00 H new ATOM 0 HG3 GLU A 86 18.291 10.150 -9.406 1.00 1.00 H new ATOM 340 N LYS A 87 15.283 7.305 -8.889 1.00 1.00 N ATOM 341 CA LYS A 87 14.792 5.941 -8.986 1.00 1.00 C ATOM 342 C LYS A 87 15.376 5.110 -7.841 1.00 1.00 C ATOM 343 O LYS A 87 16.220 4.244 -8.066 1.00 1.00 O ATOM 344 CB LYS A 87 15.081 5.365 -10.373 1.00 1.00 C ATOM 345 CG LYS A 87 14.747 3.872 -10.428 1.00 1.00 C ATOM 346 CD LYS A 87 16.002 3.039 -10.694 1.00 1.00 C ATOM 347 CE LYS A 87 15.642 1.693 -11.326 1.00 1.00 C ATOM 348 NZ LYS A 87 15.055 0.785 -10.315 1.00 1.00 N ATOM 0 H LYS A 87 15.934 7.577 -9.625 1.00 1.00 H new ATOM 0 HA LYS A 87 13.708 5.918 -8.876 1.00 1.00 H new ATOM 0 HB2 LYS A 87 14.497 5.900 -11.122 1.00 1.00 H new ATOM 0 HB3 LYS A 87 16.132 5.516 -10.621 1.00 1.00 H new ATOM 0 HG2 LYS A 87 14.293 3.562 -9.487 1.00 1.00 H new ATOM 0 HG3 LYS A 87 14.012 3.689 -11.212 1.00 1.00 H new ATOM 0 HD2 LYS A 87 16.674 3.587 -11.355 1.00 1.00 H new ATOM 0 HD3 LYS A 87 16.539 2.874 -9.760 1.00 1.00 H new ATOM 0 HE2 LYS A 87 14.934 1.845 -12.141 1.00 1.00 H new ATOM 0 HE3 LYS A 87 16.533 1.238 -11.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 14.817 -0.124 -10.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 15.742 0.626 -9.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 14.193 1.214 -9.922 1.00 1.00 H new ATOM 362 N LEU A 88 14.904 5.404 -6.638 1.00 1.00 N ATOM 363 CA LEU A 88 15.370 4.695 -5.458 1.00 1.00 C ATOM 364 C LEU A 88 14.164 4.177 -4.672 1.00 1.00 C ATOM 365 O LEU A 88 13.509 4.937 -3.960 1.00 1.00 O ATOM 366 CB LEU A 88 16.306 5.582 -4.635 1.00 1.00 C ATOM 367 CG LEU A 88 17.027 4.898 -3.472 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.507 5.925 -2.444 1.00 1.00 C ATOM 369 CD2 LEU A 88 16.145 3.821 -2.837 1.00 1.00 C ATOM 0 H LEU A 88 14.204 6.123 -6.455 1.00 1.00 H new ATOM 0 HA LEU A 88 15.963 3.826 -5.744 1.00 1.00 H new ATOM 0 HB2 LEU A 88 17.056 6.004 -5.304 1.00 1.00 H new ATOM 0 HB3 LEU A 88 15.728 6.416 -4.238 1.00 1.00 H new ATOM 0 HG LEU A 88 17.912 4.398 -3.866 1.00 1.00 H new ATOM 0 HD11 LEU A 88 18.016 5.412 -1.628 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.196 6.622 -2.921 1.00 1.00 H new ATOM 0 HD13 LEU A 88 16.651 6.473 -2.050 1.00 1.00 H new ATOM 0 HD21 LEU A 88 16.682 3.351 -2.013 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.229 4.276 -2.461 1.00 1.00 H new ATOM 0 HD23 LEU A 88 15.895 3.068 -3.584 1.00 1.00 H new ATOM 381 N ARG A 89 13.908 2.886 -4.827 1.00 1.00 N ATOM 382 CA ARG A 89 12.792 2.257 -4.140 1.00 1.00 C ATOM 383 C ARG A 89 13.218 0.905 -3.563 1.00 1.00 C ATOM 384 O ARG A 89 13.976 0.169 -4.193 1.00 1.00 O ATOM 385 CB ARG A 89 11.609 2.049 -5.087 1.00 1.00 C ATOM 386 CG ARG A 89 11.529 3.175 -6.120 1.00 1.00 C ATOM 387 CD ARG A 89 10.518 2.840 -7.219 1.00 1.00 C ATOM 388 NE ARG A 89 10.894 3.522 -8.478 1.00 1.00 N ATOM 389 CZ ARG A 89 10.521 4.769 -8.797 1.00 1.00 C ATOM 390 NH1 ARG A 89 9.759 5.477 -7.953 1.00 1.00 N ATOM 391 NH2 ARG A 89 10.910 5.307 -9.961 1.00 1.00 N ATOM 0 H ARG A 89 14.454 2.259 -5.418 1.00 1.00 H new ATOM 0 HA ARG A 89 12.484 2.920 -3.332 1.00 1.00 H new ATOM 0 HB2 ARG A 89 11.710 1.090 -5.596 1.00 1.00 H new ATOM 0 HB3 ARG A 89 10.683 2.010 -4.514 1.00 1.00 H new ATOM 0 HG2 ARG A 89 11.242 4.105 -5.628 1.00 1.00 H new ATOM 0 HG3 ARG A 89 12.512 3.338 -6.562 1.00 1.00 H new ATOM 0 HD2 ARG A 89 10.483 1.762 -7.376 1.00 1.00 H new ATOM 0 HD3 ARG A 89 9.519 3.150 -6.912 1.00 1.00 H new ATOM 0 HE ARG A 89 11.473 3.011 -9.144 1.00 1.00 H new ATOM 0 HH11 ARG A 89 9.463 5.067 -7.067 1.00 1.00 H new ATOM 0 HH12 ARG A 89 9.475 6.426 -8.196 1.00 1.00 H new ATOM 0 HH21 ARG A 89 11.490 4.767 -10.604 1.00 1.00 H new ATOM 0 HH22 ARG A 89 10.626 6.256 -10.204 1.00 1.00 H new ATOM 405 N VAL A 90 12.713 0.621 -2.372 1.00 1.00 N ATOM 406 CA VAL A 90 13.032 -0.629 -1.703 1.00 1.00 C ATOM 407 C VAL A 90 12.399 -1.790 -2.473 1.00 1.00 C ATOM 408 O VAL A 90 11.176 -1.894 -2.550 1.00 1.00 O ATOM 409 CB VAL A 90 12.587 -0.568 -0.241 1.00 1.00 C ATOM 410 CG1 VAL A 90 12.435 -1.974 0.345 1.00 1.00 C ATOM 411 CG2 VAL A 90 13.558 0.271 0.593 1.00 1.00 C ATOM 0 H VAL A 90 12.085 1.235 -1.853 1.00 1.00 H new ATOM 0 HA VAL A 90 14.109 -0.794 -1.694 1.00 1.00 H new ATOM 0 HB VAL A 90 11.611 -0.084 -0.208 1.00 1.00 H new ATOM 0 HG11 VAL A 90 12.118 -1.902 1.385 1.00 1.00 H new ATOM 0 HG12 VAL A 90 11.688 -2.527 -0.225 1.00 1.00 H new ATOM 0 HG13 VAL A 90 13.391 -2.495 0.292 1.00 1.00 H new ATOM 0 HG21 VAL A 90 13.219 0.298 1.628 1.00 1.00 H new ATOM 0 HG22 VAL A 90 14.553 -0.173 0.549 1.00 1.00 H new ATOM 0 HG23 VAL A 90 13.595 1.286 0.197 1.00 1.00 H new ATOM 421 N LEU A 91 13.260 -2.634 -3.022 1.00 1.00 N ATOM 422 CA LEU A 91 12.800 -3.783 -3.783 1.00 1.00 C ATOM 423 C LEU A 91 13.226 -5.067 -3.066 1.00 1.00 C ATOM 424 O LEU A 91 13.013 -6.166 -3.576 1.00 1.00 O ATOM 425 CB LEU A 91 13.287 -3.697 -5.231 1.00 1.00 C ATOM 426 CG LEU A 91 12.226 -3.344 -6.275 1.00 1.00 C ATOM 427 CD1 LEU A 91 12.873 -2.980 -7.613 1.00 1.00 C ATOM 428 CD2 LEU A 91 11.203 -4.472 -6.421 1.00 1.00 C ATOM 0 H LEU A 91 14.274 -2.545 -2.955 1.00 1.00 H new ATOM 0 HA LEU A 91 11.711 -3.793 -3.838 1.00 1.00 H new ATOM 0 HB2 LEU A 91 14.081 -2.952 -5.283 1.00 1.00 H new ATOM 0 HB3 LEU A 91 13.730 -4.655 -5.502 1.00 1.00 H new ATOM 0 HG LEU A 91 11.686 -2.463 -5.928 1.00 1.00 H new ATOM 0 HD11 LEU A 91 12.097 -2.733 -8.337 1.00 1.00 H new ATOM 0 HD12 LEU A 91 13.530 -2.120 -7.478 1.00 1.00 H new ATOM 0 HD13 LEU A 91 13.454 -3.827 -7.978 1.00 1.00 H new ATOM 0 HD21 LEU A 91 10.460 -4.195 -7.169 1.00 1.00 H new ATOM 0 HD22 LEU A 91 11.710 -5.385 -6.734 1.00 1.00 H new ATOM 0 HD23 LEU A 91 10.709 -4.641 -5.464 1.00 1.00 H new ATOM 440 N GLY A 92 13.819 -4.884 -1.896 1.00 1.00 N ATOM 441 CA GLY A 92 14.276 -6.014 -1.104 1.00 1.00 C ATOM 442 C GLY A 92 14.190 -5.706 0.392 1.00 1.00 C ATOM 443 O GLY A 92 14.212 -4.543 0.792 1.00 1.00 O ATOM 0 H GLY A 92 13.994 -3.971 -1.477 1.00 1.00 H new ATOM 0 HA2 GLY A 92 13.672 -6.892 -1.333 1.00 1.00 H new ATOM 0 HA3 GLY A 92 15.305 -6.257 -1.370 1.00 1.00 H new ATOM 447 N TYR A 93 14.094 -6.768 1.178 1.00 1.00 N ATOM 448 CA TYR A 93 14.005 -6.626 2.621 1.00 1.00 C ATOM 449 C TYR A 93 14.939 -7.611 3.328 1.00 1.00 C ATOM 450 O TYR A 93 15.302 -8.642 2.764 1.00 1.00 O ATOM 451 CB TYR A 93 12.558 -6.960 2.989 1.00 1.00 C ATOM 452 CG TYR A 93 11.730 -5.748 3.420 1.00 1.00 C ATOM 453 CD1 TYR A 93 11.238 -4.875 2.471 1.00 1.00 C ATOM 454 CD2 TYR A 93 11.476 -5.527 4.759 1.00 1.00 C ATOM 455 CE1 TYR A 93 10.459 -3.734 2.877 1.00 1.00 C ATOM 456 CE2 TYR A 93 10.696 -4.386 5.165 1.00 1.00 C ATOM 457 CZ TYR A 93 10.226 -3.546 4.204 1.00 1.00 C ATOM 458 OH TYR A 93 9.491 -2.469 4.588 1.00 1.00 O ATOM 0 H TYR A 93 14.076 -7.731 0.842 1.00 1.00 H new ATOM 0 HA TYR A 93 14.293 -5.620 2.926 1.00 1.00 H new ATOM 0 HB2 TYR A 93 12.075 -7.431 2.132 1.00 1.00 H new ATOM 0 HB3 TYR A 93 12.559 -7.692 3.796 1.00 1.00 H new ATOM 0 HD1 TYR A 93 11.437 -5.048 1.424 1.00 1.00 H new ATOM 0 HD2 TYR A 93 11.862 -6.209 5.502 1.00 1.00 H new ATOM 0 HE1 TYR A 93 10.069 -3.043 2.144 1.00 1.00 H new ATOM 0 HE2 TYR A 93 10.489 -4.202 6.209 1.00 1.00 H new ATOM 0 HH TYR A 93 8.917 -2.183 3.847 1.00 1.00 H new ATOM 468 N ASN A 94 15.300 -7.258 4.553 1.00 1.00 N ATOM 469 CA ASN A 94 16.185 -8.098 5.343 1.00 1.00 C ATOM 470 C ASN A 94 15.444 -9.375 5.744 1.00 1.00 C ATOM 471 O ASN A 94 15.695 -10.443 5.189 1.00 1.00 O ATOM 472 CB ASN A 94 16.625 -7.384 6.622 1.00 1.00 C ATOM 473 CG ASN A 94 18.144 -7.211 6.659 1.00 1.00 C ATOM 474 OD1 ASN A 94 18.899 -8.155 6.825 1.00 1.00 O ATOM 475 ND2 ASN A 94 18.549 -5.955 6.495 1.00 1.00 N ATOM 0 H ASN A 94 14.996 -6.402 5.018 1.00 1.00 H new ATOM 0 HA ASN A 94 17.063 -8.327 4.738 1.00 1.00 H new ATOM 0 HB2 ASN A 94 16.143 -6.408 6.682 1.00 1.00 H new ATOM 0 HB3 ASN A 94 16.299 -7.955 7.492 1.00 1.00 H new ATOM 0 HD21 ASN A 94 19.545 -5.735 6.504 1.00 1.00 H new ATOM 0 HD22 ASN A 94 17.864 -5.212 6.361 1.00 1.00 H new ATOM 482 N HIS A 95 14.546 -9.222 6.706 1.00 1.00 N ATOM 483 CA HIS A 95 13.767 -10.350 7.189 1.00 1.00 C ATOM 484 C HIS A 95 13.087 -9.978 8.508 1.00 1.00 C ATOM 485 O HIS A 95 11.863 -9.872 8.571 1.00 1.00 O ATOM 486 CB HIS A 95 14.638 -11.603 7.304 1.00 1.00 C ATOM 487 CG HIS A 95 14.493 -12.560 6.145 1.00 1.00 C ATOM 488 ND1 HIS A 95 15.571 -13.211 5.571 1.00 1.00 N ATOM 489 CD2 HIS A 95 13.387 -12.970 5.460 1.00 1.00 C ATOM 490 CE1 HIS A 95 15.123 -13.974 4.585 1.00 1.00 C ATOM 491 NE2 HIS A 95 13.769 -13.823 4.518 1.00 1.00 N ATOM 0 H HIS A 95 14.340 -8.334 7.164 1.00 1.00 H new ATOM 0 HA HIS A 95 12.983 -10.588 6.471 1.00 1.00 H new ATOM 0 HB2 HIS A 95 15.682 -11.301 7.384 1.00 1.00 H new ATOM 0 HB3 HIS A 95 14.385 -12.125 8.227 1.00 1.00 H new ATOM 0 HD2 HIS A 95 12.372 -12.654 5.652 1.00 1.00 H new ATOM 0 HE1 HIS A 95 15.724 -14.605 3.947 1.00 1.00 H new ATOM 0 HE2 HIS A 95 13.152 -14.289 3.853 1.00 1.00 H new ATOM 499 N ASN A 96 13.911 -9.789 9.528 1.00 1.00 N ATOM 500 CA ASN A 96 13.405 -9.430 10.842 1.00 1.00 C ATOM 501 C ASN A 96 12.770 -8.040 10.777 1.00 1.00 C ATOM 502 O ASN A 96 11.627 -7.855 11.192 1.00 1.00 O ATOM 503 CB ASN A 96 14.533 -9.388 11.874 1.00 1.00 C ATOM 504 CG ASN A 96 15.768 -8.684 11.308 1.00 1.00 C ATOM 505 OD1 ASN A 96 15.965 -7.492 11.473 1.00 1.00 O ATOM 506 ND2 ASN A 96 16.586 -9.487 10.633 1.00 1.00 N ATOM 0 H ASN A 96 14.926 -9.878 9.471 1.00 1.00 H new ATOM 0 HA ASN A 96 12.674 -10.182 11.139 1.00 1.00 H new ATOM 0 HB2 ASN A 96 14.192 -8.868 12.770 1.00 1.00 H new ATOM 0 HB3 ASN A 96 14.794 -10.403 12.174 1.00 1.00 H new ATOM 0 HD21 ASN A 96 17.438 -9.113 10.216 1.00 1.00 H new ATOM 0 HD22 ASN A 96 16.361 -10.477 10.533 1.00 1.00 H new ATOM 513 N GLY A 97 13.540 -7.096 10.255 1.00 1.00 N ATOM 514 CA GLY A 97 13.068 -5.728 10.130 1.00 1.00 C ATOM 515 C GLY A 97 14.131 -4.736 10.606 1.00 1.00 C ATOM 516 O GLY A 97 13.903 -3.981 11.550 1.00 1.00 O ATOM 0 H GLY A 97 14.488 -7.252 9.914 1.00 1.00 H new ATOM 0 HA2 GLY A 97 12.812 -5.521 9.091 1.00 1.00 H new ATOM 0 HA3 GLY A 97 12.157 -5.599 10.715 1.00 1.00 H new ATOM 520 N GLU A 98 15.270 -4.769 9.930 1.00 1.00 N ATOM 521 CA GLU A 98 16.369 -3.882 10.272 1.00 1.00 C ATOM 522 C GLU A 98 16.678 -2.944 9.103 1.00 1.00 C ATOM 523 O GLU A 98 16.576 -1.726 9.236 1.00 1.00 O ATOM 524 CB GLU A 98 17.610 -4.678 10.679 1.00 1.00 C ATOM 525 CG GLU A 98 17.787 -4.680 12.199 1.00 1.00 C ATOM 526 CD GLU A 98 18.017 -3.262 12.725 1.00 1.00 C ATOM 527 OE1 GLU A 98 19.150 -2.766 12.544 1.00 1.00 O ATOM 528 OE2 GLU A 98 17.055 -2.706 13.297 1.00 1.00 O ATOM 0 H GLU A 98 15.456 -5.396 9.147 1.00 1.00 H new ATOM 0 HA GLU A 98 16.069 -3.277 11.128 1.00 1.00 H new ATOM 0 HB2 GLU A 98 17.523 -5.703 10.318 1.00 1.00 H new ATOM 0 HB3 GLU A 98 18.493 -4.248 10.207 1.00 1.00 H new ATOM 0 HG2 GLU A 98 16.903 -5.108 12.671 1.00 1.00 H new ATOM 0 HG3 GLU A 98 18.631 -5.314 12.470 1.00 1.00 H new ATOM 535 N TRP A 99 17.049 -3.549 7.984 1.00 1.00 N ATOM 536 CA TRP A 99 17.373 -2.783 6.792 1.00 1.00 C ATOM 537 C TRP A 99 16.625 -3.406 5.612 1.00 1.00 C ATOM 538 O TRP A 99 16.010 -4.463 5.750 1.00 1.00 O ATOM 539 CB TRP A 99 18.886 -2.721 6.575 1.00 1.00 C ATOM 540 CG TRP A 99 19.592 -1.655 7.415 1.00 1.00 C ATOM 541 CD1 TRP A 99 19.491 -1.444 8.735 1.00 1.00 C ATOM 542 CD2 TRP A 99 20.518 -0.657 6.937 1.00 1.00 C ATOM 543 NE1 TRP A 99 20.281 -0.387 9.140 1.00 1.00 N ATOM 544 CE2 TRP A 99 20.925 0.106 8.012 1.00 1.00 C ATOM 545 CE3 TRP A 99 20.997 -0.408 5.638 1.00 1.00 C ATOM 546 CZ2 TRP A 99 21.829 1.170 7.899 1.00 1.00 C ATOM 547 CZ3 TRP A 99 21.899 0.658 5.542 1.00 1.00 C ATOM 548 CH2 TRP A 99 22.319 1.436 6.615 1.00 1.00 C ATOM 0 H TRP A 99 17.132 -4.560 7.878 1.00 1.00 H new ATOM 0 HA TRP A 99 17.052 -1.747 6.900 1.00 1.00 H new ATOM 0 HB2 TRP A 99 19.316 -3.695 6.807 1.00 1.00 H new ATOM 0 HB3 TRP A 99 19.084 -2.528 5.521 1.00 1.00 H new ATOM 0 HD1 TRP A 99 18.870 -2.028 9.398 1.00 1.00 H new ATOM 0 HE1 TRP A 99 20.375 -0.033 10.092 1.00 1.00 H new ATOM 0 HE3 TRP A 99 20.693 -0.993 4.783 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 22.132 1.753 8.756 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 22.297 0.893 4.566 1.00 1.00 H new ATOM 0 HH2 TRP A 99 23.020 2.242 6.459 1.00 1.00 H new ATOM 559 N CYS A 100 16.702 -2.726 4.477 1.00 1.00 N ATOM 560 CA CYS A 100 16.040 -3.199 3.274 1.00 1.00 C ATOM 561 C CYS A 100 17.010 -3.048 2.101 1.00 1.00 C ATOM 562 O CYS A 100 17.728 -2.053 2.009 1.00 1.00 O ATOM 563 CB CYS A 100 14.723 -2.460 3.025 1.00 1.00 C ATOM 564 SG CYS A 100 13.541 -2.815 4.376 1.00 1.00 S ATOM 0 H CYS A 100 17.213 -1.851 4.366 1.00 1.00 H new ATOM 0 HA CYS A 100 15.774 -4.250 3.391 1.00 1.00 H new ATOM 0 HB2 CYS A 100 14.905 -1.387 2.962 1.00 1.00 H new ATOM 0 HB3 CYS A 100 14.299 -2.768 2.069 1.00 1.00 H new ATOM 0 HG CYS A 100 12.518 -3.460 3.899 1.00 1.00 H new ATOM 570 N GLU A 101 17.000 -4.049 1.233 1.00 1.00 N ATOM 571 CA GLU A 101 17.871 -4.040 0.070 1.00 1.00 C ATOM 572 C GLU A 101 17.322 -3.089 -0.996 1.00 1.00 C ATOM 573 O GLU A 101 16.130 -3.111 -1.298 1.00 1.00 O ATOM 574 CB GLU A 101 18.047 -5.452 -0.494 1.00 1.00 C ATOM 575 CG GLU A 101 19.397 -5.596 -1.199 1.00 1.00 C ATOM 576 CD GLU A 101 19.652 -7.049 -1.604 1.00 1.00 C ATOM 577 OE1 GLU A 101 18.663 -7.714 -1.981 1.00 1.00 O ATOM 578 OE2 GLU A 101 20.829 -7.462 -1.528 1.00 1.00 O ATOM 0 H GLU A 101 16.402 -4.872 1.312 1.00 1.00 H new ATOM 0 HA GLU A 101 18.853 -3.682 0.378 1.00 1.00 H new ATOM 0 HB2 GLU A 101 17.974 -6.181 0.313 1.00 1.00 H new ATOM 0 HB3 GLU A 101 17.241 -5.671 -1.195 1.00 1.00 H new ATOM 0 HG2 GLU A 101 19.419 -4.959 -2.083 1.00 1.00 H new ATOM 0 HG3 GLU A 101 20.194 -5.253 -0.539 1.00 1.00 H new ATOM 585 N ALA A 102 18.219 -2.276 -1.535 1.00 1.00 N ATOM 586 CA ALA A 102 17.840 -1.319 -2.560 1.00 1.00 C ATOM 587 C ALA A 102 18.639 -1.599 -3.834 1.00 1.00 C ATOM 588 O ALA A 102 19.654 -2.293 -3.795 1.00 1.00 O ATOM 589 CB ALA A 102 18.056 0.102 -2.037 1.00 1.00 C ATOM 0 H ALA A 102 19.207 -2.261 -1.281 1.00 1.00 H new ATOM 0 HA ALA A 102 16.783 -1.419 -2.806 1.00 1.00 H new ATOM 0 HB1 ALA A 102 17.772 0.820 -2.806 1.00 1.00 H new ATOM 0 HB2 ALA A 102 17.444 0.260 -1.149 1.00 1.00 H new ATOM 0 HB3 ALA A 102 19.107 0.240 -1.782 1.00 1.00 H new ATOM 595 N GLN A 103 18.152 -1.045 -4.935 1.00 1.00 N ATOM 596 CA GLN A 103 18.809 -1.226 -6.218 1.00 1.00 C ATOM 597 C GLN A 103 18.910 0.110 -6.956 1.00 1.00 C ATOM 598 O GLN A 103 18.000 0.934 -6.884 1.00 1.00 O ATOM 599 CB GLN A 103 18.075 -2.267 -7.067 1.00 1.00 C ATOM 600 CG GLN A 103 18.515 -3.685 -6.698 1.00 1.00 C ATOM 601 CD GLN A 103 17.306 -4.603 -6.508 1.00 1.00 C ATOM 602 OE1 GLN A 103 16.457 -4.386 -5.660 1.00 1.00 O ATOM 603 NE2 GLN A 103 17.275 -5.636 -7.345 1.00 1.00 N ATOM 0 H GLN A 103 17.310 -0.470 -4.965 1.00 1.00 H new ATOM 0 HA GLN A 103 19.818 -1.597 -6.039 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.999 -2.167 -6.922 1.00 1.00 H new ATOM 0 HB3 GLN A 103 18.272 -2.085 -8.123 1.00 1.00 H new ATOM 0 HG2 GLN A 103 19.160 -4.085 -7.481 1.00 1.00 H new ATOM 0 HG3 GLN A 103 19.104 -3.660 -5.781 1.00 1.00 H new ATOM 0 HE21 GLN A 103 18.019 -5.758 -8.032 1.00 1.00 H new ATOM 0 HE22 GLN A 103 16.507 -6.306 -7.300 1.00 1.00 H new ATOM 612 N THR A 104 20.026 0.284 -7.649 1.00 1.00 N ATOM 613 CA THR A 104 20.259 1.506 -8.399 1.00 1.00 C ATOM 614 C THR A 104 20.065 1.258 -9.896 1.00 1.00 C ATOM 615 O THR A 104 20.176 0.124 -10.361 1.00 1.00 O ATOM 616 CB THR A 104 21.656 2.020 -8.044 1.00 1.00 C ATOM 617 OG1 THR A 104 22.495 1.471 -9.056 1.00 1.00 O ATOM 618 CG2 THR A 104 22.191 1.413 -6.746 1.00 1.00 C ATOM 0 H THR A 104 20.779 -0.402 -7.707 1.00 1.00 H new ATOM 0 HA THR A 104 19.536 2.277 -8.133 1.00 1.00 H new ATOM 0 HB THR A 104 21.631 3.106 -7.953 1.00 1.00 H new ATOM 0 HG1 THR A 104 23.420 1.755 -8.904 1.00 1.00 H new ATOM 0 HG21 THR A 104 23.185 1.811 -6.541 1.00 1.00 H new ATOM 0 HG22 THR A 104 21.522 1.665 -5.923 1.00 1.00 H new ATOM 0 HG23 THR A 104 22.248 0.329 -6.848 1.00 1.00 H new ATOM 626 N LYS A 105 19.779 2.336 -10.610 1.00 1.00 N ATOM 627 CA LYS A 105 19.569 2.250 -12.045 1.00 1.00 C ATOM 628 C LYS A 105 20.551 1.238 -12.640 1.00 1.00 C ATOM 629 O LYS A 105 20.166 0.397 -13.451 1.00 1.00 O ATOM 630 CB LYS A 105 19.654 3.638 -12.684 1.00 1.00 C ATOM 631 CG LYS A 105 20.916 4.374 -12.230 1.00 1.00 C ATOM 632 CD LYS A 105 20.592 5.811 -11.814 1.00 1.00 C ATOM 633 CE LYS A 105 21.229 6.148 -10.464 1.00 1.00 C ATOM 634 NZ LYS A 105 20.336 5.745 -9.355 1.00 1.00 N ATOM 0 H LYS A 105 19.688 3.275 -10.221 1.00 1.00 H new ATOM 0 HA LYS A 105 18.565 1.886 -12.261 1.00 1.00 H new ATOM 0 HB2 LYS A 105 19.655 3.543 -13.770 1.00 1.00 H new ATOM 0 HB3 LYS A 105 18.773 4.220 -12.416 1.00 1.00 H new ATOM 0 HG2 LYS A 105 21.370 3.843 -11.393 1.00 1.00 H new ATOM 0 HG3 LYS A 105 21.648 4.381 -13.038 1.00 1.00 H new ATOM 0 HD2 LYS A 105 20.954 6.504 -12.574 1.00 1.00 H new ATOM 0 HD3 LYS A 105 19.511 5.941 -11.753 1.00 1.00 H new ATOM 0 HE2 LYS A 105 22.188 5.638 -10.370 1.00 1.00 H new ATOM 0 HE3 LYS A 105 21.430 7.218 -10.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 20.317 6.495 -8.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 19.375 5.593 -9.721 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 20.688 4.864 -8.929 1.00 1.00 H new ATOM 648 N ASN A 106 21.800 1.354 -12.214 1.00 1.00 N ATOM 649 CA ASN A 106 22.840 0.460 -12.695 1.00 1.00 C ATOM 650 C ASN A 106 23.789 0.122 -11.543 1.00 1.00 C ATOM 651 O ASN A 106 24.960 0.498 -11.568 1.00 1.00 O ATOM 652 CB ASN A 106 23.661 1.116 -13.807 1.00 1.00 C ATOM 653 CG ASN A 106 23.096 0.767 -15.185 1.00 1.00 C ATOM 654 OD1 ASN A 106 21.965 1.082 -15.519 1.00 1.00 O ATOM 655 ND2 ASN A 106 23.943 0.100 -15.963 1.00 1.00 N ATOM 0 H ASN A 106 22.115 2.053 -11.541 1.00 1.00 H new ATOM 0 HA ASN A 106 22.359 -0.437 -13.084 1.00 1.00 H new ATOM 0 HB2 ASN A 106 23.661 2.198 -13.674 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.698 0.786 -13.741 1.00 1.00 H new ATOM 0 HD21 ASN A 106 23.660 -0.180 -16.902 1.00 1.00 H new ATOM 0 HD22 ASN A 106 24.876 -0.132 -15.621 1.00 1.00 H new ATOM 662 N GLY A 107 23.248 -0.583 -10.560 1.00 1.00 N ATOM 663 CA GLY A 107 24.032 -0.975 -9.401 1.00 1.00 C ATOM 664 C GLY A 107 23.130 -1.492 -8.279 1.00 1.00 C ATOM 665 O GLY A 107 21.928 -1.667 -8.474 1.00 1.00 O ATOM 0 H GLY A 107 22.276 -0.893 -10.542 1.00 1.00 H new ATOM 0 HA2 GLY A 107 24.745 -1.749 -9.685 1.00 1.00 H new ATOM 0 HA3 GLY A 107 24.611 -0.123 -9.044 1.00 1.00 H new ATOM 669 N GLN A 108 23.745 -1.722 -7.128 1.00 1.00 N ATOM 670 CA GLN A 108 23.013 -2.215 -5.974 1.00 1.00 C ATOM 671 C GLN A 108 23.691 -1.759 -4.680 1.00 1.00 C ATOM 672 O GLN A 108 24.673 -1.019 -4.717 1.00 1.00 O ATOM 673 CB GLN A 108 22.883 -3.739 -6.017 1.00 1.00 C ATOM 674 CG GLN A 108 21.446 -4.158 -6.335 1.00 1.00 C ATOM 675 CD GLN A 108 21.422 -5.363 -7.278 1.00 1.00 C ATOM 676 OE1 GLN A 108 22.368 -5.640 -7.996 1.00 1.00 O ATOM 677 NE2 GLN A 108 20.290 -6.060 -7.236 1.00 1.00 N ATOM 0 H GLN A 108 24.742 -1.576 -6.970 1.00 1.00 H new ATOM 0 HA GLN A 108 22.007 -1.796 -6.001 1.00 1.00 H new ATOM 0 HB2 GLN A 108 23.559 -4.144 -6.770 1.00 1.00 H new ATOM 0 HB3 GLN A 108 23.185 -4.161 -5.058 1.00 1.00 H new ATOM 0 HG2 GLN A 108 20.922 -4.404 -5.411 1.00 1.00 H new ATOM 0 HG3 GLN A 108 20.913 -3.324 -6.791 1.00 1.00 H new ATOM 0 HE21 GLN A 108 19.537 -5.772 -6.611 1.00 1.00 H new ATOM 0 HE22 GLN A 108 20.175 -6.882 -7.829 1.00 1.00 H new ATOM 686 N GLY A 109 23.140 -2.220 -3.567 1.00 1.00 N ATOM 687 CA GLY A 109 23.679 -1.869 -2.264 1.00 1.00 C ATOM 688 C GLY A 109 22.639 -2.086 -1.163 1.00 1.00 C ATOM 689 O GLY A 109 21.516 -2.505 -1.439 1.00 1.00 O ATOM 0 H GLY A 109 22.326 -2.834 -3.540 1.00 1.00 H new ATOM 0 HA2 GLY A 109 24.563 -2.472 -2.058 1.00 1.00 H new ATOM 0 HA3 GLY A 109 23.998 -0.827 -2.267 1.00 1.00 H new ATOM 693 N TRP A 110 23.050 -1.791 0.061 1.00 1.00 N ATOM 694 CA TRP A 110 22.168 -1.948 1.205 1.00 1.00 C ATOM 695 C TRP A 110 21.691 -0.558 1.629 1.00 1.00 C ATOM 696 O TRP A 110 22.397 0.431 1.435 1.00 1.00 O ATOM 697 CB TRP A 110 22.864 -2.712 2.333 1.00 1.00 C ATOM 698 CG TRP A 110 22.519 -4.201 2.382 1.00 1.00 C ATOM 699 CD1 TRP A 110 23.229 -5.229 1.896 1.00 1.00 C ATOM 700 CD2 TRP A 110 21.342 -4.793 2.972 1.00 1.00 C ATOM 701 NE1 TRP A 110 22.598 -6.434 2.129 1.00 1.00 N ATOM 702 CE2 TRP A 110 21.414 -6.160 2.804 1.00 1.00 C ATOM 703 CE3 TRP A 110 20.252 -4.191 3.626 1.00 1.00 C ATOM 704 CZ2 TRP A 110 20.428 -7.042 3.262 1.00 1.00 C ATOM 705 CZ3 TRP A 110 19.275 -5.086 4.078 1.00 1.00 C ATOM 706 CH2 TRP A 110 19.333 -6.466 3.916 1.00 1.00 C ATOM 0 H TRP A 110 23.982 -1.444 0.286 1.00 1.00 H new ATOM 0 HA TRP A 110 21.297 -2.549 0.941 1.00 1.00 H new ATOM 0 HB2 TRP A 110 23.943 -2.603 2.220 1.00 1.00 H new ATOM 0 HB3 TRP A 110 22.596 -2.256 3.286 1.00 1.00 H new ATOM 0 HD1 TRP A 110 24.176 -5.127 1.386 1.00 1.00 H new ATOM 0 HE1 TRP A 110 22.938 -7.356 1.856 1.00 1.00 H new ATOM 0 HE3 TRP A 110 20.175 -3.123 3.768 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 20.508 -8.109 3.118 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 18.416 -4.676 4.588 1.00 1.00 H new ATOM 0 HH2 TRP A 110 18.537 -7.090 4.293 1.00 1.00 H new ATOM 717 N VAL A 111 20.496 -0.526 2.201 1.00 1.00 N ATOM 718 CA VAL A 111 19.917 0.727 2.655 1.00 1.00 C ATOM 719 C VAL A 111 18.951 0.449 3.809 1.00 1.00 C ATOM 720 O VAL A 111 18.286 -0.585 3.831 1.00 1.00 O ATOM 721 CB VAL A 111 19.253 1.451 1.482 1.00 1.00 C ATOM 722 CG1 VAL A 111 19.955 1.118 0.164 1.00 1.00 C ATOM 723 CG2 VAL A 111 17.761 1.121 1.407 1.00 1.00 C ATOM 0 H VAL A 111 19.913 -1.348 2.360 1.00 1.00 H new ATOM 0 HA VAL A 111 20.693 1.392 3.034 1.00 1.00 H new ATOM 0 HB VAL A 111 19.350 2.523 1.652 1.00 1.00 H new ATOM 0 HG11 VAL A 111 19.463 1.645 -0.653 1.00 1.00 H new ATOM 0 HG12 VAL A 111 20.999 1.427 0.220 1.00 1.00 H new ATOM 0 HG13 VAL A 111 19.904 0.044 -0.014 1.00 1.00 H new ATOM 0 HG21 VAL A 111 17.314 1.649 0.565 1.00 1.00 H new ATOM 0 HG22 VAL A 111 17.632 0.047 1.272 1.00 1.00 H new ATOM 0 HG23 VAL A 111 17.273 1.432 2.331 1.00 1.00 H new ATOM 733 N PRO A 112 18.905 1.416 4.765 1.00 1.00 N ATOM 734 CA PRO A 112 18.033 1.285 5.919 1.00 1.00 C ATOM 735 C PRO A 112 16.574 1.545 5.536 1.00 1.00 C ATOM 736 O PRO A 112 16.299 2.142 4.497 1.00 1.00 O ATOM 737 CB PRO A 112 18.568 2.284 6.932 1.00 1.00 C ATOM 738 CG PRO A 112 19.425 3.260 6.142 1.00 1.00 C ATOM 739 CD PRO A 112 19.679 2.653 4.771 1.00 1.00 C ATOM 0 HA PRO A 112 18.034 0.277 6.335 1.00 1.00 H new ATOM 0 HB2 PRO A 112 17.753 2.801 7.438 1.00 1.00 H new ATOM 0 HB3 PRO A 112 19.155 1.783 7.702 1.00 1.00 H new ATOM 0 HG2 PRO A 112 18.920 4.221 6.046 1.00 1.00 H new ATOM 0 HG3 PRO A 112 20.367 3.445 6.658 1.00 1.00 H new ATOM 0 HD2 PRO A 112 19.358 3.325 3.975 1.00 1.00 H new ATOM 0 HD3 PRO A 112 20.740 2.457 4.615 1.00 1.00 H new ATOM 747 N SER A 113 15.679 1.085 6.398 1.00 1.00 N ATOM 748 CA SER A 113 14.256 1.260 6.163 1.00 1.00 C ATOM 749 C SER A 113 13.852 2.707 6.450 1.00 1.00 C ATOM 750 O SER A 113 12.914 3.226 5.847 1.00 1.00 O ATOM 751 CB SER A 113 13.433 0.299 7.023 1.00 1.00 C ATOM 752 OG SER A 113 14.160 -0.154 8.162 1.00 1.00 O ATOM 0 H SER A 113 15.912 0.592 7.260 1.00 1.00 H new ATOM 0 HA SER A 113 14.052 1.033 5.116 1.00 1.00 H new ATOM 0 HB2 SER A 113 12.520 0.796 7.350 1.00 1.00 H new ATOM 0 HB3 SER A 113 13.131 -0.558 6.421 1.00 1.00 H new ATOM 0 HG SER A 113 14.521 0.617 8.647 1.00 1.00 H new ATOM 758 N ASN A 114 14.581 3.319 7.372 1.00 1.00 N ATOM 759 CA ASN A 114 14.311 4.697 7.747 1.00 1.00 C ATOM 760 C ASN A 114 14.931 5.634 6.709 1.00 1.00 C ATOM 761 O ASN A 114 14.892 6.853 6.867 1.00 1.00 O ATOM 762 CB ASN A 114 14.924 5.028 9.109 1.00 1.00 C ATOM 763 CG ASN A 114 16.345 4.471 9.220 1.00 1.00 C ATOM 764 OD1 ASN A 114 16.572 3.272 9.214 1.00 1.00 O ATOM 765 ND2 ASN A 114 17.286 5.405 9.322 1.00 1.00 N ATOM 0 H ASN A 114 15.358 2.886 7.870 1.00 1.00 H new ATOM 0 HA ASN A 114 13.230 4.827 7.797 1.00 1.00 H new ATOM 0 HB2 ASN A 114 14.941 6.109 9.251 1.00 1.00 H new ATOM 0 HB3 ASN A 114 14.303 4.612 9.902 1.00 1.00 H new ATOM 0 HD21 ASN A 114 18.266 5.135 9.402 1.00 1.00 H new ATOM 0 HD22 ASN A 114 17.027 6.392 9.321 1.00 1.00 H new ATOM 772 N TYR A 115 15.487 5.029 5.670 1.00 1.00 N ATOM 773 CA TYR A 115 16.114 5.795 4.606 1.00 1.00 C ATOM 774 C TYR A 115 15.152 5.994 3.433 1.00 1.00 C ATOM 775 O TYR A 115 15.412 6.801 2.543 1.00 1.00 O ATOM 776 CB TYR A 115 17.309 4.963 4.135 1.00 1.00 C ATOM 777 CG TYR A 115 18.648 5.698 4.210 1.00 1.00 C ATOM 778 CD1 TYR A 115 18.967 6.438 5.331 1.00 1.00 C ATOM 779 CD2 TYR A 115 19.538 5.621 3.158 1.00 1.00 C ATOM 780 CE1 TYR A 115 20.228 7.130 5.401 1.00 1.00 C ATOM 781 CE2 TYR A 115 20.798 6.313 3.228 1.00 1.00 C ATOM 782 CZ TYR A 115 21.081 7.034 4.347 1.00 1.00 C ATOM 783 OH TYR A 115 22.272 7.688 4.413 1.00 1.00 O ATOM 0 H TYR A 115 15.517 4.017 5.542 1.00 1.00 H new ATOM 0 HA TYR A 115 16.407 6.782 4.965 1.00 1.00 H new ATOM 0 HB2 TYR A 115 17.369 4.058 4.739 1.00 1.00 H new ATOM 0 HB3 TYR A 115 17.136 4.648 3.106 1.00 1.00 H new ATOM 0 HD1 TYR A 115 18.271 6.498 6.155 1.00 1.00 H new ATOM 0 HD2 TYR A 115 19.289 5.041 2.282 1.00 1.00 H new ATOM 0 HE1 TYR A 115 20.490 7.712 6.272 1.00 1.00 H new ATOM 0 HE2 TYR A 115 21.503 6.261 2.411 1.00 1.00 H new ATOM 0 HH TYR A 115 22.779 7.529 3.590 1.00 1.00 H new ATOM 793 N ILE A 116 14.061 5.243 3.471 1.00 1.00 N ATOM 794 CA ILE A 116 13.059 5.327 2.422 1.00 1.00 C ATOM 795 C ILE A 116 11.711 5.705 3.039 1.00 1.00 C ATOM 796 O ILE A 116 11.570 5.733 4.261 1.00 1.00 O ATOM 797 CB ILE A 116 13.022 4.030 1.611 1.00 1.00 C ATOM 798 CG1 ILE A 116 12.570 2.853 2.479 1.00 1.00 C ATOM 799 CG2 ILE A 116 14.372 3.763 0.942 1.00 1.00 C ATOM 800 CD1 ILE A 116 13.768 2.024 2.946 1.00 1.00 C ATOM 0 H ILE A 116 13.849 4.574 4.211 1.00 1.00 H new ATOM 0 HA ILE A 116 13.316 6.113 1.712 1.00 1.00 H new ATOM 0 HB ILE A 116 12.285 4.145 0.816 1.00 1.00 H new ATOM 0 HG12 ILE A 116 12.021 3.224 3.344 1.00 1.00 H new ATOM 0 HG13 ILE A 116 11.885 2.222 1.914 1.00 1.00 H new ATOM 0 HG21 ILE A 116 14.318 2.835 0.372 1.00 1.00 H new ATOM 0 HG22 ILE A 116 14.615 4.587 0.272 1.00 1.00 H new ATOM 0 HG23 ILE A 116 15.145 3.676 1.705 1.00 1.00 H new ATOM 0 HD11 ILE A 116 13.419 1.194 3.561 1.00 1.00 H new ATOM 0 HD12 ILE A 116 14.301 1.634 2.079 1.00 1.00 H new ATOM 0 HD13 ILE A 116 14.439 2.652 3.532 1.00 1.00 H new ATOM 812 N THR A 117 10.754 5.985 2.167 1.00 1.00 N ATOM 813 CA THR A 117 9.422 6.360 2.611 1.00 1.00 C ATOM 814 C THR A 117 8.361 5.603 1.811 1.00 1.00 C ATOM 815 O THR A 117 8.568 5.286 0.641 1.00 1.00 O ATOM 816 CB THR A 117 9.297 7.881 2.500 1.00 1.00 C ATOM 817 OG1 THR A 117 7.903 8.101 2.310 1.00 1.00 O ATOM 818 CG2 THR A 117 9.938 8.429 1.223 1.00 1.00 C ATOM 0 H THR A 117 10.874 5.960 1.154 1.00 1.00 H new ATOM 0 HA THR A 117 9.259 6.082 3.652 1.00 1.00 H new ATOM 0 HB THR A 117 9.761 8.348 3.369 1.00 1.00 H new ATOM 0 HG1 THR A 117 7.732 9.063 2.230 1.00 1.00 H new ATOM 0 HG21 THR A 117 9.822 9.512 1.193 1.00 1.00 H new ATOM 0 HG22 THR A 117 10.999 8.178 1.211 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.451 7.988 0.353 1.00 1.00 H new ATOM 826 N PRO A 118 7.216 5.327 2.493 1.00 1.00 N ATOM 827 CA PRO A 118 6.121 4.613 1.858 1.00 1.00 C ATOM 828 C PRO A 118 5.365 5.520 0.886 1.00 1.00 C ATOM 829 O PRO A 118 5.550 6.736 0.895 1.00 1.00 O ATOM 830 CB PRO A 118 5.256 4.120 3.006 1.00 1.00 C ATOM 831 CG PRO A 118 5.639 4.965 4.210 1.00 1.00 C ATOM 832 CD PRO A 118 6.935 5.686 3.879 1.00 1.00 C ATOM 0 HA PRO A 118 6.462 3.778 1.246 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.197 4.231 2.772 1.00 1.00 H new ATOM 0 HB3 PRO A 118 5.431 3.062 3.200 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.851 5.682 4.439 1.00 1.00 H new ATOM 0 HG3 PRO A 118 5.766 4.337 5.092 1.00 1.00 H new ATOM 0 HD2 PRO A 118 6.829 6.765 3.995 1.00 1.00 H new ATOM 0 HD3 PRO A 118 7.743 5.373 4.541 1.00 1.00 H new ATOM 840 N VAL A 119 4.529 4.894 0.071 1.00 1.00 N ATOM 841 CA VAL A 119 3.743 5.631 -0.905 1.00 1.00 C ATOM 842 C VAL A 119 2.339 5.870 -0.348 1.00 1.00 C ATOM 843 O VAL A 119 1.474 6.404 -1.041 1.00 1.00 O ATOM 844 CB VAL A 119 3.737 4.885 -2.241 1.00 1.00 C ATOM 845 CG1 VAL A 119 2.806 5.567 -3.245 1.00 1.00 C ATOM 846 CG2 VAL A 119 5.154 4.760 -2.805 1.00 1.00 C ATOM 0 H VAL A 119 4.378 3.885 0.066 1.00 1.00 H new ATOM 0 HA VAL A 119 4.188 6.608 -1.094 1.00 1.00 H new ATOM 0 HB VAL A 119 3.358 3.879 -2.062 1.00 1.00 H new ATOM 0 HG11 VAL A 119 2.820 5.017 -4.186 1.00 1.00 H new ATOM 0 HG12 VAL A 119 1.791 5.581 -2.848 1.00 1.00 H new ATOM 0 HG13 VAL A 119 3.143 6.589 -3.417 1.00 1.00 H new ATOM 0 HG21 VAL A 119 5.122 4.226 -3.755 1.00 1.00 H new ATOM 0 HG22 VAL A 119 5.572 5.754 -2.962 1.00 1.00 H new ATOM 0 HG23 VAL A 119 5.779 4.211 -2.101 1.00 1.00 H new ATOM 856 N SER A 120 2.154 5.462 0.900 1.00 1.00 N ATOM 857 CA SER A 120 0.869 5.625 1.558 1.00 1.00 C ATOM 858 C SER A 120 1.042 6.421 2.853 1.00 1.00 C ATOM 859 O SER A 120 1.796 5.934 3.722 1.00 1.00 O ATOM 860 CB SER A 120 0.225 4.269 1.851 1.00 1.00 C ATOM 861 OG SER A 120 -0.936 4.046 1.054 1.00 1.00 O ATOM 862 OXT SER A 120 0.456 7.491 3.010 1.00 1.00 O ATOM 0 H SER A 120 2.873 5.019 1.472 1.00 1.00 H new ATOM 0 HA SER A 120 0.208 6.174 0.887 1.00 1.00 H new ATOM 0 HB2 SER A 120 0.950 3.476 1.666 1.00 1.00 H new ATOM 0 HB3 SER A 120 -0.044 4.216 2.906 1.00 1.00 H new ATOM 0 HG SER A 120 -1.317 3.169 1.269 1.00 1.00 H new