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 100 CYS SG : rot 170:sc= -0.817 USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 94 ASN : amide:sc= -4.36! C(o=-9.7!,f=-16!) USER MOD Set 2.2: A 96 ASN : amide:sc= -5.31! C(o=-9.7!,f=-15!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.14!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -38:sc= 0.0494 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+ 162:sc= 0 (180deg=-0.101) USER MOD Single : A 93 TYR OH : rot -143:sc= 0.813 USER MOD Single : A 95 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.024) USER MOD Single : A 103 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.74) USER MOD Single : A 104 THR OG1 : rot -170:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= -1.52! (180deg=-1.52!) USER MOD Single : A 106 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 108 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.89) USER MOD Single : A 114 ASN : amide:sc= -4.28! C(o=-4.3!,f=-5!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.73 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 6.345 1.370 -2.311 1.00 1.00 C ATOM 15 O LEU A 65 6.458 1.665 -3.499 1.00 1.00 O ATOM 16 CB LEU A 65 6.408 -1.164 -2.685 1.00 1.00 C ATOM 17 CG LEU A 65 6.146 -2.562 -2.122 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.758 -2.715 -0.728 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.651 -2.886 -2.130 1.00 1.00 C ATOM 0 HA LEU A 65 6.092 -0.160 -0.861 1.00 1.00 H new ATOM 0 HB2 LEU A 65 6.025 -1.127 -3.705 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.486 -1.014 -2.744 1.00 1.00 H new ATOM 0 HG LEU A 65 6.636 -3.288 -2.771 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.557 -3.718 -0.351 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.835 -2.557 -0.784 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.318 -1.979 -0.055 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.493 -3.885 -1.725 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.118 -2.158 -1.519 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.275 -2.846 -3.152 1.00 1.00 H new ATOM 31 N PHE A 66 6.668 2.169 -1.305 1.00 1.00 N ATOM 32 CA PHE A 66 7.197 3.501 -1.548 1.00 1.00 C ATOM 33 C PHE A 66 8.628 3.626 -1.021 1.00 1.00 C ATOM 34 O PHE A 66 9.059 2.830 -0.188 1.00 1.00 O ATOM 35 CB PHE A 66 6.300 4.483 -0.792 1.00 1.00 C ATOM 36 CG PHE A 66 4.805 4.188 -0.922 1.00 1.00 C ATOM 37 CD1 PHE A 66 4.255 3.146 -0.242 1.00 1.00 C ATOM 38 CD2 PHE A 66 4.024 4.967 -1.718 1.00 1.00 C ATOM 39 CE1 PHE A 66 2.868 2.871 -0.363 1.00 1.00 C ATOM 40 CE2 PHE A 66 2.636 4.692 -1.839 1.00 1.00 C ATOM 41 CZ PHE A 66 2.087 3.650 -1.159 1.00 1.00 C ATOM 0 H PHE A 66 6.574 1.920 -0.320 1.00 1.00 H new ATOM 0 HA PHE A 66 7.213 3.706 -2.618 1.00 1.00 H new ATOM 0 HB2 PHE A 66 6.572 4.469 0.263 1.00 1.00 H new ATOM 0 HB3 PHE A 66 6.494 5.491 -1.158 1.00 1.00 H new ATOM 0 HD1 PHE A 66 4.874 2.527 0.391 1.00 1.00 H new ATOM 0 HD2 PHE A 66 4.460 5.795 -2.258 1.00 1.00 H new ATOM 0 HE1 PHE A 66 2.433 2.043 0.177 1.00 1.00 H new ATOM 0 HE2 PHE A 66 2.016 5.311 -2.471 1.00 1.00 H new ATOM 0 HZ PHE A 66 1.031 3.441 -1.251 1.00 1.00 H new ATOM 51 N VAL A 67 9.325 4.632 -1.529 1.00 1.00 N ATOM 52 CA VAL A 67 10.699 4.872 -1.120 1.00 1.00 C ATOM 53 C VAL A 67 10.860 6.342 -0.728 1.00 1.00 C ATOM 54 O VAL A 67 10.281 7.224 -1.360 1.00 1.00 O ATOM 55 CB VAL A 67 11.658 4.441 -2.231 1.00 1.00 C ATOM 56 CG1 VAL A 67 12.142 3.006 -2.011 1.00 1.00 C ATOM 57 CG2 VAL A 67 11.008 4.596 -3.608 1.00 1.00 C ATOM 0 H VAL A 67 8.964 5.290 -2.220 1.00 1.00 H new ATOM 0 HA VAL A 67 10.947 4.273 -0.244 1.00 1.00 H new ATOM 0 HB VAL A 67 12.528 5.097 -2.196 1.00 1.00 H new ATOM 0 HG11 VAL A 67 12.822 2.724 -2.815 1.00 1.00 H new ATOM 0 HG12 VAL A 67 12.662 2.940 -1.055 1.00 1.00 H new ATOM 0 HG13 VAL A 67 11.287 2.330 -2.006 1.00 1.00 H new ATOM 0 HG21 VAL A 67 11.711 4.283 -4.380 1.00 1.00 H new ATOM 0 HG22 VAL A 67 10.113 3.976 -3.660 1.00 1.00 H new ATOM 0 HG23 VAL A 67 10.736 5.640 -3.767 1.00 1.00 H new ATOM 67 N ALA A 68 11.651 6.561 0.312 1.00 1.00 N ATOM 68 CA ALA A 68 11.896 7.909 0.796 1.00 1.00 C ATOM 69 C ALA A 68 12.748 8.665 -0.225 1.00 1.00 C ATOM 70 O ALA A 68 13.738 8.136 -0.726 1.00 1.00 O ATOM 71 CB ALA A 68 12.557 7.845 2.174 1.00 1.00 C ATOM 0 H ALA A 68 12.131 5.827 0.833 1.00 1.00 H new ATOM 0 HA ALA A 68 10.958 8.452 0.910 1.00 1.00 H new ATOM 0 HB1 ALA A 68 12.741 8.856 2.537 1.00 1.00 H new ATOM 0 HB2 ALA A 68 11.899 7.324 2.869 1.00 1.00 H new ATOM 0 HB3 ALA A 68 13.503 7.309 2.099 1.00 1.00 H new ATOM 77 N LEU A 69 12.331 9.892 -0.503 1.00 1.00 N ATOM 78 CA LEU A 69 13.043 10.727 -1.456 1.00 1.00 C ATOM 79 C LEU A 69 14.103 11.546 -0.716 1.00 1.00 C ATOM 80 O LEU A 69 15.287 11.473 -1.040 1.00 1.00 O ATOM 81 CB LEU A 69 12.061 11.577 -2.263 1.00 1.00 C ATOM 82 CG LEU A 69 12.097 11.384 -3.781 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.109 12.323 -4.476 1.00 1.00 C ATOM 84 CD2 LEU A 69 13.519 11.547 -4.320 1.00 1.00 C ATOM 0 H LEU A 69 11.509 10.328 -0.085 1.00 1.00 H new ATOM 0 HA LEU A 69 13.568 10.110 -2.186 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.052 11.361 -1.913 1.00 1.00 H new ATOM 0 HB3 LEU A 69 12.256 12.627 -2.045 1.00 1.00 H new ATOM 0 HG LEU A 69 11.783 10.364 -4.004 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.154 12.166 -5.554 1.00 1.00 H new ATOM 0 HD12 LEU A 69 10.099 12.116 -4.121 1.00 1.00 H new ATOM 0 HD13 LEU A 69 11.369 13.357 -4.249 1.00 1.00 H new ATOM 0 HD21 LEU A 69 13.517 11.405 -5.401 1.00 1.00 H new ATOM 0 HD22 LEU A 69 13.884 12.547 -4.086 1.00 1.00 H new ATOM 0 HD23 LEU A 69 14.171 10.805 -3.858 1.00 1.00 H new ATOM 96 N TYR A 70 13.638 12.309 0.263 1.00 1.00 N ATOM 97 CA TYR A 70 14.531 13.141 1.051 1.00 1.00 C ATOM 98 C TYR A 70 14.783 12.524 2.428 1.00 1.00 C ATOM 99 O TYR A 70 14.082 11.600 2.836 1.00 1.00 O ATOM 100 CB TYR A 70 13.811 14.480 1.230 1.00 1.00 C ATOM 101 CG TYR A 70 13.983 15.441 0.051 1.00 1.00 C ATOM 102 CD1 TYR A 70 13.091 15.408 -1.002 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.029 16.340 0.042 1.00 1.00 C ATOM 104 CE1 TYR A 70 13.253 16.312 -2.110 1.00 1.00 C ATOM 105 CE2 TYR A 70 15.191 17.245 -1.067 1.00 1.00 C ATOM 106 CZ TYR A 70 14.295 17.186 -2.088 1.00 1.00 C ATOM 107 OH TYR A 70 14.447 18.040 -3.135 1.00 1.00 O ATOM 0 H TYR A 70 12.655 12.368 0.528 1.00 1.00 H new ATOM 0 HA TYR A 70 15.495 13.247 0.554 1.00 1.00 H new ATOM 0 HB2 TYR A 70 12.748 14.292 1.380 1.00 1.00 H new ATOM 0 HB3 TYR A 70 14.181 14.962 2.135 1.00 1.00 H new ATOM 0 HD1 TYR A 70 12.272 14.704 -0.994 1.00 1.00 H new ATOM 0 HD2 TYR A 70 15.726 16.365 0.866 1.00 1.00 H new ATOM 0 HE1 TYR A 70 12.563 16.297 -2.940 1.00 1.00 H new ATOM 0 HE2 TYR A 70 16.005 17.954 -1.087 1.00 1.00 H new ATOM 0 HH TYR A 70 15.232 18.607 -2.984 1.00 1.00 H new ATOM 117 N ASP A 71 15.788 13.060 3.106 1.00 1.00 N ATOM 118 CA ASP A 71 16.142 12.573 4.428 1.00 1.00 C ATOM 119 C ASP A 71 15.159 13.139 5.455 1.00 1.00 C ATOM 120 O ASP A 71 14.183 13.793 5.091 1.00 1.00 O ATOM 121 CB ASP A 71 17.549 13.024 4.823 1.00 1.00 C ATOM 122 CG ASP A 71 17.697 14.524 5.090 1.00 1.00 C ATOM 123 OD1 ASP A 71 17.185 14.966 6.141 1.00 1.00 O ATOM 124 OD2 ASP A 71 18.318 15.194 4.237 1.00 1.00 O ATOM 0 H ASP A 71 16.368 13.826 2.764 1.00 1.00 H new ATOM 0 HA ASP A 71 16.105 11.484 4.407 1.00 1.00 H new ATOM 0 HB2 ASP A 71 17.851 12.480 5.718 1.00 1.00 H new ATOM 0 HB3 ASP A 71 18.241 12.742 4.029 1.00 1.00 H new ATOM 129 N PHE A 72 15.451 12.867 6.719 1.00 1.00 N ATOM 130 CA PHE A 72 14.605 13.341 7.801 1.00 1.00 C ATOM 131 C PHE A 72 15.228 14.555 8.493 1.00 1.00 C ATOM 132 O PHE A 72 16.438 14.765 8.415 1.00 1.00 O ATOM 133 CB PHE A 72 14.488 12.198 8.811 1.00 1.00 C ATOM 134 CG PHE A 72 15.013 12.543 10.206 1.00 1.00 C ATOM 135 CD1 PHE A 72 16.346 12.467 10.469 1.00 1.00 C ATOM 136 CD2 PHE A 72 14.148 12.926 11.183 1.00 1.00 C ATOM 137 CE1 PHE A 72 16.833 12.788 11.763 1.00 1.00 C ATOM 138 CE2 PHE A 72 14.636 13.247 12.477 1.00 1.00 C ATOM 139 CZ PHE A 72 15.968 13.171 12.740 1.00 1.00 C ATOM 0 H PHE A 72 16.262 12.324 7.018 1.00 1.00 H new ATOM 0 HA PHE A 72 13.633 13.639 7.409 1.00 1.00 H new ATOM 0 HB2 PHE A 72 13.442 11.903 8.891 1.00 1.00 H new ATOM 0 HB3 PHE A 72 15.035 11.335 8.432 1.00 1.00 H new ATOM 0 HD1 PHE A 72 17.033 12.163 9.693 1.00 1.00 H new ATOM 0 HD2 PHE A 72 13.090 12.986 10.975 1.00 1.00 H new ATOM 0 HE1 PHE A 72 17.891 12.728 11.972 1.00 1.00 H new ATOM 0 HE2 PHE A 72 13.949 13.552 13.253 1.00 1.00 H new ATOM 0 HZ PHE A 72 16.339 13.415 13.725 1.00 1.00 H new ATOM 149 N VAL A 73 14.375 15.322 9.154 1.00 1.00 N ATOM 150 CA VAL A 73 14.826 16.510 9.859 1.00 1.00 C ATOM 151 C VAL A 73 14.169 16.559 11.240 1.00 1.00 C ATOM 152 O VAL A 73 12.963 16.776 11.350 1.00 1.00 O ATOM 153 CB VAL A 73 14.545 17.756 9.019 1.00 1.00 C ATOM 154 CG1 VAL A 73 14.788 19.031 9.830 1.00 1.00 C ATOM 155 CG2 VAL A 73 15.382 17.754 7.738 1.00 1.00 C ATOM 0 H VAL A 73 13.373 15.144 9.217 1.00 1.00 H new ATOM 0 HA VAL A 73 15.904 16.475 10.013 1.00 1.00 H new ATOM 0 HB VAL A 73 13.493 17.736 8.733 1.00 1.00 H new ATOM 0 HG11 VAL A 73 14.581 19.902 9.209 1.00 1.00 H new ATOM 0 HG12 VAL A 73 14.130 19.040 10.699 1.00 1.00 H new ATOM 0 HG13 VAL A 73 15.826 19.060 10.160 1.00 1.00 H new ATOM 0 HG21 VAL A 73 15.163 18.651 7.159 1.00 1.00 H new ATOM 0 HG22 VAL A 73 16.441 17.738 7.995 1.00 1.00 H new ATOM 0 HG23 VAL A 73 15.139 16.872 7.146 1.00 1.00 H new ATOM 165 N ALA A 74 14.990 16.353 12.259 1.00 1.00 N ATOM 166 CA ALA A 74 14.504 16.372 13.628 1.00 1.00 C ATOM 167 C ALA A 74 13.639 17.616 13.841 1.00 1.00 C ATOM 168 O ALA A 74 14.155 18.689 14.149 1.00 1.00 O ATOM 169 CB ALA A 74 15.690 16.314 14.593 1.00 1.00 C ATOM 0 H ALA A 74 15.989 16.172 12.164 1.00 1.00 H new ATOM 0 HA ALA A 74 13.881 15.500 13.825 1.00 1.00 H new ATOM 0 HB1 ALA A 74 15.325 16.328 15.620 1.00 1.00 H new ATOM 0 HB2 ALA A 74 16.254 15.397 14.421 1.00 1.00 H new ATOM 0 HB3 ALA A 74 16.337 17.175 14.426 1.00 1.00 H new ATOM 175 N SER A 75 12.339 17.430 13.668 1.00 1.00 N ATOM 176 CA SER A 75 11.397 18.524 13.837 1.00 1.00 C ATOM 177 C SER A 75 10.045 17.983 14.305 1.00 1.00 C ATOM 178 O SER A 75 9.289 17.423 13.513 1.00 1.00 O ATOM 179 CB SER A 75 11.232 19.314 12.537 1.00 1.00 C ATOM 180 OG SER A 75 11.199 20.720 12.768 1.00 1.00 O ATOM 0 H SER A 75 11.915 16.538 13.412 1.00 1.00 H new ATOM 0 HA SER A 75 11.791 19.201 14.594 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.054 19.077 11.862 1.00 1.00 H new ATOM 0 HB3 SER A 75 10.312 19.006 12.040 1.00 1.00 H new ATOM 0 HG SER A 75 11.094 21.189 11.914 1.00 1.00 H new ATOM 186 N GLY A 76 9.781 18.170 15.590 1.00 1.00 N ATOM 187 CA GLY A 76 8.533 17.708 16.173 1.00 1.00 C ATOM 188 C GLY A 76 8.791 16.871 17.428 1.00 1.00 C ATOM 189 O GLY A 76 9.939 16.575 17.756 1.00 1.00 O ATOM 0 H GLY A 76 10.410 18.635 16.244 1.00 1.00 H new ATOM 0 HA2 GLY A 76 7.906 18.564 16.425 1.00 1.00 H new ATOM 0 HA3 GLY A 76 7.984 17.114 15.442 1.00 1.00 H new ATOM 193 N ASP A 77 7.704 16.514 18.095 1.00 1.00 N ATOM 194 CA ASP A 77 7.797 15.717 19.307 1.00 1.00 C ATOM 195 C ASP A 77 7.192 14.335 19.051 1.00 1.00 C ATOM 196 O ASP A 77 6.332 13.882 19.805 1.00 1.00 O ATOM 197 CB ASP A 77 7.023 16.368 20.455 1.00 1.00 C ATOM 198 CG ASP A 77 7.414 15.885 21.853 1.00 1.00 C ATOM 199 OD1 ASP A 77 8.228 14.939 21.920 1.00 1.00 O ATOM 200 OD2 ASP A 77 6.890 16.473 22.823 1.00 1.00 O ATOM 0 H ASP A 77 6.754 16.762 17.819 1.00 1.00 H new ATOM 0 HA ASP A 77 8.849 15.640 19.580 1.00 1.00 H new ATOM 0 HB2 ASP A 77 7.169 17.447 20.406 1.00 1.00 H new ATOM 0 HB3 ASP A 77 5.959 16.183 20.307 1.00 1.00 H new ATOM 205 N ASN A 78 7.665 13.705 17.986 1.00 1.00 N ATOM 206 CA ASN A 78 7.181 12.384 17.622 1.00 1.00 C ATOM 207 C ASN A 78 7.669 12.037 16.215 1.00 1.00 C ATOM 208 O ASN A 78 6.917 11.487 15.411 1.00 1.00 O ATOM 209 CB ASN A 78 5.652 12.340 17.617 1.00 1.00 C ATOM 210 CG ASN A 78 5.123 11.483 18.769 1.00 1.00 C ATOM 211 OD1 ASN A 78 5.517 11.628 19.915 1.00 1.00 O ATOM 212 ND2 ASN A 78 4.213 10.586 18.403 1.00 1.00 N ATOM 0 H ASN A 78 8.378 14.085 17.363 1.00 1.00 H new ATOM 0 HA ASN A 78 7.560 11.672 18.355 1.00 1.00 H new ATOM 0 HB2 ASN A 78 5.255 13.352 17.700 1.00 1.00 H new ATOM 0 HB3 ASN A 78 5.300 11.937 16.668 1.00 1.00 H new ATOM 0 HD21 ASN A 78 3.799 9.966 19.099 1.00 1.00 H new ATOM 0 HD22 ASN A 78 3.928 10.518 17.426 1.00 1.00 H new ATOM 219 N THR A 79 8.925 12.372 15.959 1.00 1.00 N ATOM 220 CA THR A 79 9.522 12.102 14.662 1.00 1.00 C ATOM 221 C THR A 79 10.474 10.908 14.752 1.00 1.00 C ATOM 222 O THR A 79 10.688 10.359 15.831 1.00 1.00 O ATOM 223 CB THR A 79 10.201 13.385 14.178 1.00 1.00 C ATOM 224 OG1 THR A 79 9.649 13.602 12.882 1.00 1.00 O ATOM 225 CG2 THR A 79 11.696 13.195 13.919 1.00 1.00 C ATOM 0 H THR A 79 9.546 12.828 16.628 1.00 1.00 H new ATOM 0 HA THR A 79 8.766 11.821 13.929 1.00 1.00 H new ATOM 0 HB THR A 79 10.059 14.172 14.918 1.00 1.00 H new ATOM 0 HG1 THR A 79 10.033 14.416 12.495 1.00 1.00 H new ATOM 0 HG21 THR A 79 12.129 14.135 13.578 1.00 1.00 H new ATOM 0 HG22 THR A 79 12.188 12.882 14.840 1.00 1.00 H new ATOM 0 HG23 THR A 79 11.839 12.431 13.154 1.00 1.00 H new ATOM 233 N LEU A 80 11.021 10.540 13.602 1.00 1.00 N ATOM 234 CA LEU A 80 11.946 9.421 13.536 1.00 1.00 C ATOM 235 C LEU A 80 13.139 9.802 12.658 1.00 1.00 C ATOM 236 O LEU A 80 12.973 10.113 11.479 1.00 1.00 O ATOM 237 CB LEU A 80 11.222 8.155 13.076 1.00 1.00 C ATOM 238 CG LEU A 80 11.849 6.828 13.510 1.00 1.00 C ATOM 239 CD1 LEU A 80 10.906 5.657 13.225 1.00 1.00 C ATOM 240 CD2 LEU A 80 13.220 6.631 12.860 1.00 1.00 C ATOM 0 H LEU A 80 10.841 10.997 12.708 1.00 1.00 H new ATOM 0 HA LEU A 80 12.340 9.193 14.526 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.199 8.190 13.449 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.165 8.168 11.988 1.00 1.00 H new ATOM 0 HG LEU A 80 12.005 6.860 14.588 1.00 1.00 H new ATOM 0 HD11 LEU A 80 11.376 4.726 13.543 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.974 5.799 13.772 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.696 5.611 12.156 1.00 1.00 H new ATOM 0 HD21 LEU A 80 13.644 5.681 13.185 1.00 1.00 H new ATOM 0 HD22 LEU A 80 13.111 6.628 11.775 1.00 1.00 H new ATOM 0 HD23 LEU A 80 13.883 7.444 13.156 1.00 1.00 H new ATOM 252 N SER A 81 14.316 9.764 13.265 1.00 1.00 N ATOM 253 CA SER A 81 15.537 10.101 12.553 1.00 1.00 C ATOM 254 C SER A 81 15.886 8.992 11.559 1.00 1.00 C ATOM 255 O SER A 81 16.262 7.891 11.960 1.00 1.00 O ATOM 256 CB SER A 81 16.697 10.328 13.525 1.00 1.00 C ATOM 257 OG SER A 81 16.379 11.300 14.518 1.00 1.00 O ATOM 0 H SER A 81 14.450 9.505 14.242 1.00 1.00 H new ATOM 0 HA SER A 81 15.370 11.030 12.007 1.00 1.00 H new ATOM 0 HB2 SER A 81 16.954 9.386 14.009 1.00 1.00 H new ATOM 0 HB3 SER A 81 17.577 10.652 12.970 1.00 1.00 H new ATOM 0 HG SER A 81 15.848 12.018 14.115 1.00 1.00 H new ATOM 263 N ILE A 82 15.750 9.320 10.283 1.00 1.00 N ATOM 264 CA ILE A 82 16.046 8.365 9.229 1.00 1.00 C ATOM 265 C ILE A 82 16.892 9.046 8.152 1.00 1.00 C ATOM 266 O ILE A 82 16.882 10.270 8.031 1.00 1.00 O ATOM 267 CB ILE A 82 14.756 7.740 8.693 1.00 1.00 C ATOM 268 CG1 ILE A 82 13.527 8.368 9.354 1.00 1.00 C ATOM 269 CG2 ILE A 82 14.777 6.218 8.851 1.00 1.00 C ATOM 270 CD1 ILE A 82 12.253 8.025 8.580 1.00 1.00 C ATOM 0 H ILE A 82 15.439 10.234 9.955 1.00 1.00 H new ATOM 0 HA ILE A 82 16.635 7.536 9.622 1.00 1.00 H new ATOM 0 HB ILE A 82 14.691 7.952 7.626 1.00 1.00 H new ATOM 0 HG12 ILE A 82 13.440 8.012 10.381 1.00 1.00 H new ATOM 0 HG13 ILE A 82 13.648 9.450 9.401 1.00 1.00 H new ATOM 0 HG21 ILE A 82 13.849 5.799 8.462 1.00 1.00 H new ATOM 0 HG22 ILE A 82 15.621 5.806 8.297 1.00 1.00 H new ATOM 0 HG23 ILE A 82 14.876 5.963 9.906 1.00 1.00 H new ATOM 0 HD11 ILE A 82 11.395 8.483 9.071 1.00 1.00 H new ATOM 0 HD12 ILE A 82 12.333 8.404 7.561 1.00 1.00 H new ATOM 0 HD13 ILE A 82 12.122 6.943 8.556 1.00 1.00 H new ATOM 282 N THR A 83 17.606 8.224 7.397 1.00 1.00 N ATOM 283 CA THR A 83 18.456 8.732 6.334 1.00 1.00 C ATOM 284 C THR A 83 17.919 8.301 4.968 1.00 1.00 C ATOM 285 O THR A 83 17.322 7.233 4.841 1.00 1.00 O ATOM 286 CB THR A 83 19.885 8.256 6.603 1.00 1.00 C ATOM 287 OG1 THR A 83 19.955 8.150 8.022 1.00 1.00 O ATOM 288 CG2 THR A 83 20.931 9.317 6.257 1.00 1.00 C ATOM 0 H THR A 83 17.613 7.209 7.501 1.00 1.00 H new ATOM 0 HA THR A 83 18.458 9.822 6.317 1.00 1.00 H new ATOM 0 HB THR A 83 20.080 7.352 6.026 1.00 1.00 H new ATOM 0 HG1 THR A 83 20.849 7.845 8.284 1.00 1.00 H new ATOM 0 HG21 THR A 83 21.927 8.928 6.467 1.00 1.00 H new ATOM 0 HG22 THR A 83 20.856 9.571 5.200 1.00 1.00 H new ATOM 0 HG23 THR A 83 20.756 10.210 6.858 1.00 1.00 H new ATOM 296 N LYS A 84 18.150 9.153 3.980 1.00 1.00 N ATOM 297 CA LYS A 84 17.696 8.873 2.629 1.00 1.00 C ATOM 298 C LYS A 84 18.300 7.549 2.157 1.00 1.00 C ATOM 299 O LYS A 84 18.974 6.862 2.923 1.00 1.00 O ATOM 300 CB LYS A 84 18.004 10.053 1.705 1.00 1.00 C ATOM 301 CG LYS A 84 19.455 10.008 1.223 1.00 1.00 C ATOM 302 CD LYS A 84 19.658 10.916 0.008 1.00 1.00 C ATOM 303 CE LYS A 84 20.480 12.152 0.378 1.00 1.00 C ATOM 304 NZ LYS A 84 19.618 13.353 0.423 1.00 1.00 N ATOM 0 H LYS A 84 18.646 10.038 4.089 1.00 1.00 H new ATOM 0 HA LYS A 84 16.613 8.755 2.608 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.331 10.033 0.847 1.00 1.00 H new ATOM 0 HB3 LYS A 84 17.821 10.989 2.232 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.119 10.319 2.029 1.00 1.00 H new ATOM 0 HG3 LYS A 84 19.725 8.984 0.965 1.00 1.00 H new ATOM 0 HD2 LYS A 84 20.163 10.363 -0.784 1.00 1.00 H new ATOM 0 HD3 LYS A 84 18.690 11.224 -0.386 1.00 1.00 H new ATOM 0 HE2 LYS A 84 20.956 12.003 1.347 1.00 1.00 H new ATOM 0 HE3 LYS A 84 21.278 12.297 -0.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 20.192 14.183 0.676 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 19.183 13.503 -0.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 18.872 13.218 1.135 1.00 1.00 H new ATOM 318 N GLY A 85 18.037 7.231 0.898 1.00 1.00 N ATOM 319 CA GLY A 85 18.546 6.001 0.315 1.00 1.00 C ATOM 320 C GLY A 85 18.600 4.881 1.356 1.00 1.00 C ATOM 321 O GLY A 85 19.539 4.087 1.371 1.00 1.00 O ATOM 0 H GLY A 85 17.478 7.804 0.265 1.00 1.00 H new ATOM 0 HA2 GLY A 85 17.910 5.698 -0.517 1.00 1.00 H new ATOM 0 HA3 GLY A 85 19.543 6.173 -0.092 1.00 1.00 H new ATOM 325 N GLU A 86 17.581 4.854 2.202 1.00 1.00 N ATOM 326 CA GLU A 86 17.501 3.845 3.245 1.00 1.00 C ATOM 327 C GLU A 86 16.159 3.113 3.172 1.00 1.00 C ATOM 328 O GLU A 86 15.289 3.480 2.385 1.00 1.00 O ATOM 329 CB GLU A 86 17.712 4.467 4.627 1.00 1.00 C ATOM 330 CG GLU A 86 18.172 3.414 5.637 1.00 1.00 C ATOM 331 CD GLU A 86 19.318 3.946 6.500 1.00 1.00 C ATOM 332 OE1 GLU A 86 19.171 5.081 7.002 1.00 1.00 O ATOM 333 OE2 GLU A 86 20.316 3.205 6.637 1.00 1.00 O ATOM 0 H GLU A 86 16.804 5.514 2.187 1.00 1.00 H new ATOM 0 HA GLU A 86 18.298 3.119 3.084 1.00 1.00 H new ATOM 0 HB2 GLU A 86 18.454 5.263 4.562 1.00 1.00 H new ATOM 0 HB3 GLU A 86 16.784 4.924 4.970 1.00 1.00 H new ATOM 0 HG2 GLU A 86 17.336 3.126 6.274 1.00 1.00 H new ATOM 0 HG3 GLU A 86 18.495 2.516 5.110 1.00 1.00 H new ATOM 340 N LYS A 87 16.035 2.089 4.004 1.00 1.00 N ATOM 341 CA LYS A 87 14.814 1.302 4.044 1.00 1.00 C ATOM 342 C LYS A 87 13.684 2.150 4.631 1.00 1.00 C ATOM 343 O LYS A 87 13.363 2.032 5.812 1.00 1.00 O ATOM 344 CB LYS A 87 15.048 -0.012 4.793 1.00 1.00 C ATOM 345 CG LYS A 87 14.892 -1.212 3.856 1.00 1.00 C ATOM 346 CD LYS A 87 13.585 -1.125 3.067 1.00 1.00 C ATOM 347 CE LYS A 87 12.948 -2.507 2.907 1.00 1.00 C ATOM 348 NZ LYS A 87 12.368 -2.962 4.190 1.00 1.00 N ATOM 0 H LYS A 87 16.759 1.786 4.655 1.00 1.00 H new ATOM 0 HA LYS A 87 14.511 1.019 3.036 1.00 1.00 H new ATOM 0 HB2 LYS A 87 16.047 -0.014 5.229 1.00 1.00 H new ATOM 0 HB3 LYS A 87 14.340 -0.096 5.618 1.00 1.00 H new ATOM 0 HG2 LYS A 87 15.735 -1.252 3.166 1.00 1.00 H new ATOM 0 HG3 LYS A 87 14.910 -2.135 4.435 1.00 1.00 H new ATOM 0 HD2 LYS A 87 12.891 -0.458 3.578 1.00 1.00 H new ATOM 0 HD3 LYS A 87 13.777 -0.693 2.085 1.00 1.00 H new ATOM 0 HE2 LYS A 87 12.171 -2.470 2.143 1.00 1.00 H new ATOM 0 HE3 LYS A 87 13.697 -3.222 2.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 11.691 -3.731 4.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 13.127 -3.307 4.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 11.878 -2.169 4.650 1.00 1.00 H new ATOM 362 N LEU A 88 13.111 2.987 3.778 1.00 1.00 N ATOM 363 CA LEU A 88 12.024 3.855 4.196 1.00 1.00 C ATOM 364 C LEU A 88 10.857 3.711 3.217 1.00 1.00 C ATOM 365 O LEU A 88 10.890 4.266 2.120 1.00 1.00 O ATOM 366 CB LEU A 88 12.518 5.294 4.357 1.00 1.00 C ATOM 367 CG LEU A 88 11.769 6.151 5.379 1.00 1.00 C ATOM 368 CD1 LEU A 88 12.483 7.485 5.605 1.00 1.00 C ATOM 369 CD2 LEU A 88 10.308 6.344 4.968 1.00 1.00 C ATOM 0 H LEU A 88 13.380 3.082 2.799 1.00 1.00 H new ATOM 0 HA LEU A 88 11.656 3.558 5.178 1.00 1.00 H new ATOM 0 HB2 LEU A 88 13.571 5.266 4.638 1.00 1.00 H new ATOM 0 HB3 LEU A 88 12.460 5.787 3.387 1.00 1.00 H new ATOM 0 HG LEU A 88 11.767 5.622 6.332 1.00 1.00 H new ATOM 0 HD11 LEU A 88 11.930 8.075 6.336 1.00 1.00 H new ATOM 0 HD12 LEU A 88 13.491 7.300 5.976 1.00 1.00 H new ATOM 0 HD13 LEU A 88 12.538 8.032 4.664 1.00 1.00 H new ATOM 0 HD21 LEU A 88 9.799 6.957 5.712 1.00 1.00 H new ATOM 0 HD22 LEU A 88 10.265 6.840 3.998 1.00 1.00 H new ATOM 0 HD23 LEU A 88 9.818 5.373 4.901 1.00 1.00 H new ATOM 381 N ARG A 89 9.852 2.964 3.650 1.00 1.00 N ATOM 382 CA ARG A 89 8.677 2.740 2.826 1.00 1.00 C ATOM 383 C ARG A 89 7.404 2.905 3.659 1.00 1.00 C ATOM 384 O ARG A 89 7.365 2.510 4.824 1.00 1.00 O ATOM 385 CB ARG A 89 8.695 1.341 2.208 1.00 1.00 C ATOM 386 CG ARG A 89 10.109 0.954 1.769 1.00 1.00 C ATOM 387 CD ARG A 89 10.091 0.281 0.395 1.00 1.00 C ATOM 388 NE ARG A 89 10.527 -1.128 0.516 1.00 1.00 N ATOM 389 CZ ARG A 89 9.795 -2.094 1.086 1.00 1.00 C ATOM 390 NH1 ARG A 89 8.587 -1.810 1.592 1.00 1.00 N ATOM 391 NH2 ARG A 89 10.270 -3.345 1.152 1.00 1.00 N ATOM 0 H ARG A 89 9.827 2.506 4.561 1.00 1.00 H new ATOM 0 HA ARG A 89 8.690 3.479 2.025 1.00 1.00 H new ATOM 0 HB2 ARG A 89 8.323 0.615 2.931 1.00 1.00 H new ATOM 0 HB3 ARG A 89 8.023 1.310 1.351 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.739 1.843 1.734 1.00 1.00 H new ATOM 0 HG3 ARG A 89 10.550 0.279 2.503 1.00 1.00 H new ATOM 0 HD2 ARG A 89 9.087 0.325 -0.027 1.00 1.00 H new ATOM 0 HD3 ARG A 89 10.749 0.816 -0.290 1.00 1.00 H new ATOM 0 HE ARG A 89 11.442 -1.379 0.142 1.00 1.00 H new ATOM 0 HH11 ARG A 89 8.225 -0.858 1.543 1.00 1.00 H new ATOM 0 HH12 ARG A 89 8.030 -2.546 2.026 1.00 1.00 H new ATOM 0 HH21 ARG A 89 11.190 -3.562 0.768 1.00 1.00 H new ATOM 0 HH22 ARG A 89 9.712 -4.080 1.586 1.00 1.00 H new ATOM 405 N VAL A 90 6.395 3.490 3.031 1.00 1.00 N ATOM 406 CA VAL A 90 5.125 3.712 3.700 1.00 1.00 C ATOM 407 C VAL A 90 4.430 2.368 3.926 1.00 1.00 C ATOM 408 O VAL A 90 4.504 1.477 3.080 1.00 1.00 O ATOM 409 CB VAL A 90 4.274 4.697 2.895 1.00 1.00 C ATOM 410 CG1 VAL A 90 2.872 4.827 3.493 1.00 1.00 C ATOM 411 CG2 VAL A 90 4.959 6.062 2.799 1.00 1.00 C ATOM 0 H VAL A 90 6.431 3.817 2.066 1.00 1.00 H new ATOM 0 HA VAL A 90 5.284 4.165 4.679 1.00 1.00 H new ATOM 0 HB VAL A 90 4.171 4.302 1.884 1.00 1.00 H new ATOM 0 HG11 VAL A 90 2.288 5.533 2.902 1.00 1.00 H new ATOM 0 HG12 VAL A 90 2.381 3.854 3.485 1.00 1.00 H new ATOM 0 HG13 VAL A 90 2.946 5.187 4.519 1.00 1.00 H new ATOM 0 HG21 VAL A 90 4.334 6.743 2.222 1.00 1.00 H new ATOM 0 HG22 VAL A 90 5.107 6.466 3.800 1.00 1.00 H new ATOM 0 HG23 VAL A 90 5.925 5.951 2.306 1.00 1.00 H new ATOM 421 N LEU A 91 3.771 2.263 5.070 1.00 1.00 N ATOM 422 CA LEU A 91 3.063 1.042 5.418 1.00 1.00 C ATOM 423 C LEU A 91 1.556 1.305 5.387 1.00 1.00 C ATOM 424 O LEU A 91 0.796 0.514 4.832 1.00 1.00 O ATOM 425 CB LEU A 91 3.565 0.494 6.755 1.00 1.00 C ATOM 426 CG LEU A 91 4.412 -0.778 6.683 1.00 1.00 C ATOM 427 CD1 LEU A 91 4.834 -1.236 8.081 1.00 1.00 C ATOM 428 CD2 LEU A 91 3.682 -1.881 5.914 1.00 1.00 C ATOM 0 H LEU A 91 3.712 3.004 5.769 1.00 1.00 H new ATOM 0 HA LEU A 91 3.266 0.262 4.684 1.00 1.00 H new ATOM 0 HB2 LEU A 91 4.152 1.270 7.246 1.00 1.00 H new ATOM 0 HB3 LEU A 91 2.702 0.297 7.391 1.00 1.00 H new ATOM 0 HG LEU A 91 5.323 -0.550 6.130 1.00 1.00 H new ATOM 0 HD11 LEU A 91 5.435 -2.142 8.001 1.00 1.00 H new ATOM 0 HD12 LEU A 91 5.421 -0.452 8.559 1.00 1.00 H new ATOM 0 HD13 LEU A 91 3.947 -1.441 8.680 1.00 1.00 H new ATOM 0 HD21 LEU A 91 4.306 -2.774 5.878 1.00 1.00 H new ATOM 0 HD22 LEU A 91 2.743 -2.115 6.416 1.00 1.00 H new ATOM 0 HD23 LEU A 91 3.475 -1.541 4.899 1.00 1.00 H new ATOM 440 N GLY A 92 1.170 2.419 5.992 1.00 1.00 N ATOM 441 CA GLY A 92 -0.233 2.795 6.041 1.00 1.00 C ATOM 442 C GLY A 92 -0.392 4.317 6.035 1.00 1.00 C ATOM 443 O GLY A 92 0.565 5.046 6.292 1.00 1.00 O ATOM 0 H GLY A 92 1.804 3.073 6.452 1.00 1.00 H new ATOM 0 HA2 GLY A 92 -0.758 2.367 5.187 1.00 1.00 H new ATOM 0 HA3 GLY A 92 -0.693 2.381 6.938 1.00 1.00 H new ATOM 447 N TYR A 93 -1.608 4.751 5.739 1.00 1.00 N ATOM 448 CA TYR A 93 -1.905 6.173 5.696 1.00 1.00 C ATOM 449 C TYR A 93 -2.978 6.540 6.723 1.00 1.00 C ATOM 450 O TYR A 93 -3.874 5.745 7.002 1.00 1.00 O ATOM 451 CB TYR A 93 -2.445 6.449 4.291 1.00 1.00 C ATOM 452 CG TYR A 93 -1.901 5.503 3.219 1.00 1.00 C ATOM 453 CD1 TYR A 93 -2.424 4.232 3.090 1.00 1.00 C ATOM 454 CD2 TYR A 93 -0.888 5.920 2.380 1.00 1.00 C ATOM 455 CE1 TYR A 93 -1.912 3.342 2.080 1.00 1.00 C ATOM 456 CE2 TYR A 93 -0.376 5.030 1.371 1.00 1.00 C ATOM 457 CZ TYR A 93 -0.913 3.784 1.271 1.00 1.00 C ATOM 458 OH TYR A 93 -0.430 2.944 0.317 1.00 1.00 O ATOM 0 H TYR A 93 -2.399 4.143 5.527 1.00 1.00 H new ATOM 0 HA TYR A 93 -1.014 6.758 5.924 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -3.532 6.374 4.309 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -2.201 7.475 4.014 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -3.217 3.905 3.746 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -0.479 6.915 2.480 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -2.313 2.345 1.968 1.00 1.00 H new ATOM 0 HE2 TYR A 93 0.417 5.344 0.708 1.00 1.00 H new ATOM 0 HH TYR A 93 0.537 3.074 0.226 1.00 1.00 H new ATOM 468 N ASN A 94 -2.852 7.746 7.257 1.00 1.00 N ATOM 469 CA ASN A 94 -3.800 8.228 8.248 1.00 1.00 C ATOM 470 C ASN A 94 -5.141 8.513 7.568 1.00 1.00 C ATOM 471 O ASN A 94 -5.240 8.472 6.342 1.00 1.00 O ATOM 472 CB ASN A 94 -3.311 9.528 8.891 1.00 1.00 C ATOM 473 CG ASN A 94 -3.997 10.742 8.262 1.00 1.00 C ATOM 474 OD1 ASN A 94 -5.137 11.065 8.556 1.00 1.00 O ATOM 475 ND2 ASN A 94 -3.243 11.396 7.384 1.00 1.00 N ATOM 0 H ASN A 94 -2.108 8.404 7.023 1.00 1.00 H new ATOM 0 HA ASN A 94 -3.904 7.462 9.016 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -3.512 9.506 9.962 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -2.231 9.613 8.771 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -3.611 12.221 6.911 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -2.297 11.073 7.184 1.00 1.00 H new ATOM 482 N HIS A 95 -6.139 8.794 8.393 1.00 1.00 N ATOM 483 CA HIS A 95 -7.469 9.085 7.886 1.00 1.00 C ATOM 484 C HIS A 95 -7.361 9.913 6.604 1.00 1.00 C ATOM 485 O HIS A 95 -7.468 9.375 5.503 1.00 1.00 O ATOM 486 CB HIS A 95 -8.323 9.764 8.960 1.00 1.00 C ATOM 487 CG HIS A 95 -9.006 8.800 9.901 1.00 1.00 C ATOM 488 ND1 HIS A 95 -9.932 9.206 10.846 1.00 1.00 N ATOM 489 CD2 HIS A 95 -8.889 7.448 10.031 1.00 1.00 C ATOM 490 CE1 HIS A 95 -10.346 8.137 11.510 1.00 1.00 C ATOM 491 NE2 HIS A 95 -9.699 7.048 11.004 1.00 1.00 N ATOM 0 H HIS A 95 -6.053 8.826 9.409 1.00 1.00 H new ATOM 0 HA HIS A 95 -7.977 8.154 7.634 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -7.692 10.437 9.540 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -9.080 10.379 8.473 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -8.246 6.810 9.442 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -11.069 8.129 12.312 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -9.818 6.086 11.321 1.00 1.00 H new ATOM 499 N ASN A 96 -7.149 11.208 6.790 1.00 1.00 N ATOM 500 CA ASN A 96 -7.025 12.115 5.662 1.00 1.00 C ATOM 501 C ASN A 96 -5.710 11.836 4.931 1.00 1.00 C ATOM 502 O ASN A 96 -4.936 10.974 5.345 1.00 1.00 O ATOM 503 CB ASN A 96 -7.009 13.572 6.127 1.00 1.00 C ATOM 504 CG ASN A 96 -6.152 13.737 7.384 1.00 1.00 C ATOM 505 OD1 ASN A 96 -6.373 13.106 8.404 1.00 1.00 O ATOM 506 ND2 ASN A 96 -5.165 14.619 7.254 1.00 1.00 N ATOM 0 H ASN A 96 -7.060 11.650 7.705 1.00 1.00 H new ATOM 0 HA ASN A 96 -7.880 11.956 5.005 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -6.620 14.207 5.331 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -8.027 13.904 6.331 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -4.537 14.801 8.037 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -5.036 15.113 6.371 1.00 1.00 H new ATOM 513 N GLY A 97 -5.497 12.582 3.857 1.00 1.00 N ATOM 514 CA GLY A 97 -4.289 12.427 3.065 1.00 1.00 C ATOM 515 C GLY A 97 -3.285 13.540 3.372 1.00 1.00 C ATOM 516 O GLY A 97 -3.026 14.396 2.528 1.00 1.00 O ATOM 0 H GLY A 97 -6.141 13.296 3.517 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -3.836 11.457 3.272 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -4.541 12.442 2.005 1.00 1.00 H new ATOM 520 N GLU A 98 -2.748 13.491 4.582 1.00 1.00 N ATOM 521 CA GLU A 98 -1.778 14.485 5.011 1.00 1.00 C ATOM 522 C GLU A 98 -0.451 13.812 5.365 1.00 1.00 C ATOM 523 O GLU A 98 0.583 14.118 4.772 1.00 1.00 O ATOM 524 CB GLU A 98 -2.313 15.299 6.190 1.00 1.00 C ATOM 525 CG GLU A 98 -3.155 16.480 5.704 1.00 1.00 C ATOM 526 CD GLU A 98 -3.688 17.296 6.884 1.00 1.00 C ATOM 527 OE1 GLU A 98 -2.895 18.097 7.424 1.00 1.00 O ATOM 528 OE2 GLU A 98 -4.876 17.100 7.219 1.00 1.00 O ATOM 0 H GLU A 98 -2.966 12.779 5.279 1.00 1.00 H new ATOM 0 HA GLU A 98 -1.604 15.175 4.186 1.00 1.00 H new ATOM 0 HB2 GLU A 98 -2.916 14.659 6.835 1.00 1.00 H new ATOM 0 HB3 GLU A 98 -1.481 15.664 6.792 1.00 1.00 H new ATOM 0 HG2 GLU A 98 -2.553 17.119 5.058 1.00 1.00 H new ATOM 0 HG3 GLU A 98 -3.988 16.115 5.104 1.00 1.00 H new ATOM 535 N TRP A 99 -0.521 12.908 6.331 1.00 1.00 N ATOM 536 CA TRP A 99 0.662 12.189 6.772 1.00 1.00 C ATOM 537 C TRP A 99 0.345 10.693 6.742 1.00 1.00 C ATOM 538 O TRP A 99 -0.819 10.300 6.794 1.00 1.00 O ATOM 539 CB TRP A 99 1.118 12.677 8.149 1.00 1.00 C ATOM 540 CG TRP A 99 1.878 14.004 8.119 1.00 1.00 C ATOM 541 CD1 TRP A 99 1.430 15.203 7.720 1.00 1.00 C ATOM 542 CD2 TRP A 99 3.246 14.221 8.523 1.00 1.00 C ATOM 543 NE1 TRP A 99 2.405 16.172 7.837 1.00 1.00 N ATOM 544 CE2 TRP A 99 3.545 15.556 8.340 1.00 1.00 C ATOM 545 CE3 TRP A 99 4.200 13.319 9.026 1.00 1.00 C ATOM 546 CZ2 TRP A 99 4.797 16.109 8.635 1.00 1.00 C ATOM 547 CZ3 TRP A 99 5.447 13.887 9.316 1.00 1.00 C ATOM 548 CH2 TRP A 99 5.763 15.229 9.138 1.00 1.00 C ATOM 0 H TRP A 99 -1.380 12.657 6.821 1.00 1.00 H new ATOM 0 HA TRP A 99 1.501 12.380 6.103 1.00 1.00 H new ATOM 0 HB2 TRP A 99 0.245 12.785 8.792 1.00 1.00 H new ATOM 0 HB3 TRP A 99 1.754 11.916 8.600 1.00 1.00 H new ATOM 0 HD1 TRP A 99 0.431 15.387 7.353 1.00 1.00 H new ATOM 0 HE1 TRP A 99 2.307 17.159 7.598 1.00 1.00 H new ATOM 0 HE3 TRP A 99 3.988 12.271 9.177 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 5.006 17.158 8.483 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 6.217 13.237 9.705 1.00 1.00 H new ATOM 0 HH2 TRP A 99 6.750 15.591 9.387 1.00 1.00 H new ATOM 559 N CYS A 100 1.402 9.898 6.659 1.00 1.00 N ATOM 560 CA CYS A 100 1.251 8.454 6.622 1.00 1.00 C ATOM 561 C CYS A 100 2.285 7.838 7.567 1.00 1.00 C ATOM 562 O CYS A 100 3.406 8.333 7.674 1.00 1.00 O ATOM 563 CB CYS A 100 1.383 7.908 5.199 1.00 1.00 C ATOM 564 SG CYS A 100 0.323 8.870 4.059 1.00 1.00 S ATOM 0 H CYS A 100 2.366 10.227 6.616 1.00 1.00 H new ATOM 0 HA CYS A 100 0.249 8.182 6.954 1.00 1.00 H new ATOM 0 HB2 CYS A 100 2.422 7.962 4.875 1.00 1.00 H new ATOM 0 HB3 CYS A 100 1.096 6.857 5.176 1.00 1.00 H new ATOM 0 HG CYS A 100 0.599 8.544 2.831 1.00 1.00 H new ATOM 570 N GLU A 101 1.871 6.767 8.229 1.00 1.00 N ATOM 571 CA GLU A 101 2.747 6.079 9.161 1.00 1.00 C ATOM 572 C GLU A 101 3.715 5.167 8.405 1.00 1.00 C ATOM 573 O GLU A 101 3.300 4.395 7.542 1.00 1.00 O ATOM 574 CB GLU A 101 1.938 5.288 10.191 1.00 1.00 C ATOM 575 CG GLU A 101 2.791 4.949 11.415 1.00 1.00 C ATOM 576 CD GLU A 101 3.028 6.190 12.279 1.00 1.00 C ATOM 577 OE1 GLU A 101 2.134 7.064 12.274 1.00 1.00 O ATOM 578 OE2 GLU A 101 4.097 6.237 12.924 1.00 1.00 O ATOM 0 H GLU A 101 0.940 6.359 8.138 1.00 1.00 H new ATOM 0 HA GLU A 101 3.330 6.825 9.701 1.00 1.00 H new ATOM 0 HB2 GLU A 101 1.068 5.868 10.499 1.00 1.00 H new ATOM 0 HB3 GLU A 101 1.564 4.370 9.738 1.00 1.00 H new ATOM 0 HG2 GLU A 101 2.295 4.179 12.006 1.00 1.00 H new ATOM 0 HG3 GLU A 101 3.748 4.537 11.093 1.00 1.00 H new ATOM 585 N ALA A 102 4.987 5.285 8.758 1.00 1.00 N ATOM 586 CA ALA A 102 6.017 4.480 8.123 1.00 1.00 C ATOM 587 C ALA A 102 6.709 3.618 9.181 1.00 1.00 C ATOM 588 O ALA A 102 6.633 3.913 10.373 1.00 1.00 O ATOM 589 CB ALA A 102 6.997 5.394 7.385 1.00 1.00 C ATOM 0 H ALA A 102 5.327 5.925 9.475 1.00 1.00 H new ATOM 0 HA ALA A 102 5.578 3.808 7.385 1.00 1.00 H new ATOM 0 HB1 ALA A 102 7.769 4.790 6.909 1.00 1.00 H new ATOM 0 HB2 ALA A 102 6.462 5.963 6.625 1.00 1.00 H new ATOM 0 HB3 ALA A 102 7.459 6.080 8.094 1.00 1.00 H new ATOM 595 N GLN A 103 7.367 2.571 8.707 1.00 1.00 N ATOM 596 CA GLN A 103 8.071 1.664 9.598 1.00 1.00 C ATOM 597 C GLN A 103 9.570 1.674 9.288 1.00 1.00 C ATOM 598 O GLN A 103 9.967 1.684 8.124 1.00 1.00 O ATOM 599 CB GLN A 103 7.501 0.248 9.502 1.00 1.00 C ATOM 600 CG GLN A 103 8.151 -0.677 10.533 1.00 1.00 C ATOM 601 CD GLN A 103 8.164 -2.125 10.041 1.00 1.00 C ATOM 602 OE1 GLN A 103 8.421 -2.412 8.884 1.00 1.00 O ATOM 603 NE2 GLN A 103 7.873 -3.019 10.982 1.00 1.00 N ATOM 0 H GLN A 103 7.428 2.330 7.718 1.00 1.00 H new ATOM 0 HA GLN A 103 7.929 2.008 10.622 1.00 1.00 H new ATOM 0 HB2 GLN A 103 6.423 0.275 9.661 1.00 1.00 H new ATOM 0 HB3 GLN A 103 7.666 -0.147 8.499 1.00 1.00 H new ATOM 0 HG2 GLN A 103 9.171 -0.347 10.730 1.00 1.00 H new ATOM 0 HG3 GLN A 103 7.608 -0.615 11.476 1.00 1.00 H new ATOM 0 HE21 GLN A 103 7.667 -2.711 11.932 1.00 1.00 H new ATOM 0 HE22 GLN A 103 7.856 -4.013 10.753 1.00 1.00 H new ATOM 612 N THR A 104 10.361 1.670 10.351 1.00 1.00 N ATOM 613 CA THR A 104 11.807 1.678 10.208 1.00 1.00 C ATOM 614 C THR A 104 12.380 0.291 10.503 1.00 1.00 C ATOM 615 O THR A 104 11.809 -0.467 11.286 1.00 1.00 O ATOM 616 CB THR A 104 12.366 2.773 11.118 1.00 1.00 C ATOM 617 OG1 THR A 104 11.931 3.986 10.510 1.00 1.00 O ATOM 618 CG2 THR A 104 13.893 2.856 11.064 1.00 1.00 C ATOM 0 H THR A 104 10.028 1.661 11.315 1.00 1.00 H new ATOM 0 HA THR A 104 12.102 1.905 9.184 1.00 1.00 H new ATOM 0 HB THR A 104 12.048 2.589 12.144 1.00 1.00 H new ATOM 0 HG1 THR A 104 12.377 4.746 10.940 1.00 1.00 H new ATOM 0 HG21 THR A 104 14.238 3.649 11.728 1.00 1.00 H new ATOM 0 HG22 THR A 104 14.321 1.905 11.382 1.00 1.00 H new ATOM 0 HG23 THR A 104 14.210 3.073 10.044 1.00 1.00 H new ATOM 626 N LYS A 105 13.502 0.000 9.861 1.00 1.00 N ATOM 627 CA LYS A 105 14.159 -1.283 10.046 1.00 1.00 C ATOM 628 C LYS A 105 14.068 -1.690 11.518 1.00 1.00 C ATOM 629 O LYS A 105 13.762 -2.840 11.829 1.00 1.00 O ATOM 630 CB LYS A 105 15.590 -1.234 9.508 1.00 1.00 C ATOM 631 CG LYS A 105 16.331 -0.002 10.031 1.00 1.00 C ATOM 632 CD LYS A 105 17.224 0.603 8.946 1.00 1.00 C ATOM 633 CE LYS A 105 16.783 2.028 8.604 1.00 1.00 C ATOM 634 NZ LYS A 105 15.751 2.010 7.543 1.00 1.00 N ATOM 0 H LYS A 105 13.973 0.631 9.212 1.00 1.00 H new ATOM 0 HA LYS A 105 13.653 -2.057 9.469 1.00 1.00 H new ATOM 0 HB2 LYS A 105 16.124 -2.137 9.804 1.00 1.00 H new ATOM 0 HB3 LYS A 105 15.572 -1.217 8.418 1.00 1.00 H new ATOM 0 HG2 LYS A 105 15.611 0.742 10.371 1.00 1.00 H new ATOM 0 HG3 LYS A 105 16.937 -0.277 10.894 1.00 1.00 H new ATOM 0 HD2 LYS A 105 18.260 0.611 9.285 1.00 1.00 H new ATOM 0 HD3 LYS A 105 17.186 -0.018 8.051 1.00 1.00 H new ATOM 0 HE2 LYS A 105 16.389 2.517 9.495 1.00 1.00 H new ATOM 0 HE3 LYS A 105 17.642 2.612 8.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 15.463 2.985 7.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 16.139 1.562 6.688 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 14.925 1.470 7.871 1.00 1.00 H new ATOM 648 N ASN A 106 14.341 -0.725 12.384 1.00 1.00 N ATOM 649 CA ASN A 106 14.295 -0.970 13.815 1.00 1.00 C ATOM 650 C ASN A 106 13.718 0.260 14.519 1.00 1.00 C ATOM 651 O ASN A 106 14.395 0.890 15.331 1.00 1.00 O ATOM 652 CB ASN A 106 15.695 -1.222 14.377 1.00 1.00 C ATOM 653 CG ASN A 106 16.491 -2.159 13.465 1.00 1.00 C ATOM 654 OD1 ASN A 106 17.137 -1.743 12.518 1.00 1.00 O ATOM 655 ND2 ASN A 106 16.407 -3.442 13.803 1.00 1.00 N ATOM 0 H ASN A 106 14.595 0.228 12.122 1.00 1.00 H new ATOM 0 HA ASN A 106 13.674 -1.850 13.987 1.00 1.00 H new ATOM 0 HB2 ASN A 106 16.224 -0.275 14.483 1.00 1.00 H new ATOM 0 HB3 ASN A 106 15.618 -1.657 15.373 1.00 1.00 H new ATOM 0 HD21 ASN A 106 16.902 -4.147 13.256 1.00 1.00 H new ATOM 0 HD22 ASN A 106 15.848 -3.722 14.609 1.00 1.00 H new ATOM 662 N GLY A 107 12.473 0.566 14.183 1.00 1.00 N ATOM 663 CA GLY A 107 11.798 1.709 14.773 1.00 1.00 C ATOM 664 C GLY A 107 10.553 2.086 13.967 1.00 1.00 C ATOM 665 O GLY A 107 10.297 1.513 12.909 1.00 1.00 O ATOM 0 H GLY A 107 11.914 0.042 13.510 1.00 1.00 H new ATOM 0 HA2 GLY A 107 11.515 1.478 15.800 1.00 1.00 H new ATOM 0 HA3 GLY A 107 12.480 2.558 14.813 1.00 1.00 H new ATOM 669 N GLN A 108 9.812 3.047 14.498 1.00 1.00 N ATOM 670 CA GLN A 108 8.600 3.507 13.842 1.00 1.00 C ATOM 671 C GLN A 108 8.329 4.972 14.193 1.00 1.00 C ATOM 672 O GLN A 108 8.682 5.429 15.280 1.00 1.00 O ATOM 673 CB GLN A 108 7.407 2.625 14.213 1.00 1.00 C ATOM 674 CG GLN A 108 6.896 1.852 12.995 1.00 1.00 C ATOM 675 CD GLN A 108 5.690 0.986 13.361 1.00 1.00 C ATOM 676 OE1 GLN A 108 5.240 0.950 14.495 1.00 1.00 O ATOM 677 NE2 GLN A 108 5.193 0.292 12.342 1.00 1.00 N ATOM 0 H GLN A 108 10.028 3.520 15.376 1.00 1.00 H new ATOM 0 HA GLN A 108 8.744 3.433 12.764 1.00 1.00 H new ATOM 0 HB2 GLN A 108 7.697 1.925 14.997 1.00 1.00 H new ATOM 0 HB3 GLN A 108 6.606 3.243 14.618 1.00 1.00 H new ATOM 0 HG2 GLN A 108 6.620 2.551 12.206 1.00 1.00 H new ATOM 0 HG3 GLN A 108 7.693 1.223 12.599 1.00 1.00 H new ATOM 0 HE21 GLN A 108 5.618 0.368 11.418 1.00 1.00 H new ATOM 0 HE22 GLN A 108 4.387 -0.317 12.484 1.00 1.00 H new ATOM 686 N GLY A 109 7.706 5.667 13.254 1.00 1.00 N ATOM 687 CA GLY A 109 7.384 7.070 13.451 1.00 1.00 C ATOM 688 C GLY A 109 6.490 7.591 12.323 1.00 1.00 C ATOM 689 O GLY A 109 5.982 6.812 11.518 1.00 1.00 O ATOM 0 H GLY A 109 7.415 5.285 12.354 1.00 1.00 H new ATOM 0 HA2 GLY A 109 6.880 7.200 14.409 1.00 1.00 H new ATOM 0 HA3 GLY A 109 8.303 7.655 13.492 1.00 1.00 H new ATOM 693 N TRP A 110 6.324 8.905 12.302 1.00 1.00 N ATOM 694 CA TRP A 110 5.500 9.539 11.287 1.00 1.00 C ATOM 695 C TRP A 110 6.402 9.904 10.106 1.00 1.00 C ATOM 696 O TRP A 110 7.602 10.112 10.278 1.00 1.00 O ATOM 697 CB TRP A 110 4.752 10.743 11.861 1.00 1.00 C ATOM 698 CG TRP A 110 3.384 10.400 12.456 1.00 1.00 C ATOM 699 CD1 TRP A 110 3.047 10.309 13.750 1.00 1.00 C ATOM 700 CD2 TRP A 110 2.177 10.104 11.722 1.00 1.00 C ATOM 701 NE1 TRP A 110 1.716 9.977 13.903 1.00 1.00 N ATOM 702 CE2 TRP A 110 1.171 9.849 12.631 1.00 1.00 C ATOM 703 CE3 TRP A 110 1.944 10.054 10.337 1.00 1.00 C ATOM 704 CZ2 TRP A 110 -0.139 9.526 12.253 1.00 1.00 C ATOM 705 CZ3 TRP A 110 0.631 9.729 9.976 1.00 1.00 C ATOM 706 CH2 TRP A 110 -0.394 9.469 10.878 1.00 1.00 C ATOM 0 H TRP A 110 6.746 9.548 12.972 1.00 1.00 H new ATOM 0 HA TRP A 110 4.726 8.856 10.937 1.00 1.00 H new ATOM 0 HB2 TRP A 110 5.367 11.206 12.633 1.00 1.00 H new ATOM 0 HB3 TRP A 110 4.619 11.484 11.073 1.00 1.00 H new ATOM 0 HD1 TRP A 110 3.731 10.475 14.570 1.00 1.00 H new ATOM 0 HE1 TRP A 110 1.223 9.849 14.787 1.00 1.00 H new ATOM 0 HE3 TRP A 110 2.717 10.251 9.609 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 -0.910 9.331 12.983 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 0.398 9.677 8.923 1.00 1.00 H new ATOM 0 HH2 TRP A 110 -1.383 9.224 10.519 1.00 1.00 H new ATOM 717 N VAL A 111 5.790 9.972 8.933 1.00 1.00 N ATOM 718 CA VAL A 111 6.522 10.308 7.724 1.00 1.00 C ATOM 719 C VAL A 111 5.567 10.948 6.715 1.00 1.00 C ATOM 720 O VAL A 111 4.564 10.344 6.335 1.00 1.00 O ATOM 721 CB VAL A 111 7.226 9.065 7.176 1.00 1.00 C ATOM 722 CG1 VAL A 111 6.268 8.219 6.334 1.00 1.00 C ATOM 723 CG2 VAL A 111 8.470 9.449 6.372 1.00 1.00 C ATOM 0 H VAL A 111 4.794 9.800 8.794 1.00 1.00 H new ATOM 0 HA VAL A 111 7.302 11.038 7.941 1.00 1.00 H new ATOM 0 HB VAL A 111 7.549 8.461 8.024 1.00 1.00 H new ATOM 0 HG11 VAL A 111 6.793 7.342 5.956 1.00 1.00 H new ATOM 0 HG12 VAL A 111 5.426 7.901 6.950 1.00 1.00 H new ATOM 0 HG13 VAL A 111 5.901 8.811 5.495 1.00 1.00 H new ATOM 0 HG21 VAL A 111 8.952 8.547 5.994 1.00 1.00 H new ATOM 0 HG22 VAL A 111 8.180 10.084 5.535 1.00 1.00 H new ATOM 0 HG23 VAL A 111 9.165 9.990 7.014 1.00 1.00 H new ATOM 733 N PRO A 112 5.919 12.193 6.299 1.00 1.00 N ATOM 734 CA PRO A 112 5.105 12.922 5.342 1.00 1.00 C ATOM 735 C PRO A 112 5.286 12.361 3.930 1.00 1.00 C ATOM 736 O PRO A 112 6.386 11.960 3.553 1.00 1.00 O ATOM 737 CB PRO A 112 5.549 14.370 5.468 1.00 1.00 C ATOM 738 CG PRO A 112 6.908 14.331 6.148 1.00 1.00 C ATOM 739 CD PRO A 112 7.099 12.939 6.728 1.00 1.00 C ATOM 0 HA PRO A 112 4.037 12.829 5.541 1.00 1.00 H new ATOM 0 HB2 PRO A 112 5.615 14.845 4.489 1.00 1.00 H new ATOM 0 HB3 PRO A 112 4.835 14.948 6.055 1.00 1.00 H new ATOM 0 HG2 PRO A 112 7.699 14.559 5.434 1.00 1.00 H new ATOM 0 HG3 PRO A 112 6.963 15.083 6.935 1.00 1.00 H new ATOM 0 HD2 PRO A 112 8.015 12.478 6.358 1.00 1.00 H new ATOM 0 HD3 PRO A 112 7.174 12.970 7.815 1.00 1.00 H new ATOM 747 N SER A 113 4.189 12.351 3.186 1.00 1.00 N ATOM 748 CA SER A 113 4.213 11.847 1.824 1.00 1.00 C ATOM 749 C SER A 113 4.983 12.813 0.921 1.00 1.00 C ATOM 750 O SER A 113 5.518 12.411 -0.111 1.00 1.00 O ATOM 751 CB SER A 113 2.795 11.637 1.289 1.00 1.00 C ATOM 752 OG SER A 113 2.517 10.262 1.038 1.00 1.00 O ATOM 0 H SER A 113 3.278 12.684 3.501 1.00 1.00 H new ATOM 0 HA SER A 113 4.718 10.881 1.826 1.00 1.00 H new ATOM 0 HB2 SER A 113 2.075 12.027 2.008 1.00 1.00 H new ATOM 0 HB3 SER A 113 2.667 12.207 0.369 1.00 1.00 H new ATOM 0 HG SER A 113 1.602 10.170 0.699 1.00 1.00 H new ATOM 758 N ASN A 114 5.014 14.069 1.343 1.00 1.00 N ATOM 759 CA ASN A 114 5.709 15.095 0.586 1.00 1.00 C ATOM 760 C ASN A 114 7.217 14.849 0.667 1.00 1.00 C ATOM 761 O ASN A 114 7.994 15.495 -0.036 1.00 1.00 O ATOM 762 CB ASN A 114 5.426 16.487 1.155 1.00 1.00 C ATOM 763 CG ASN A 114 5.512 16.482 2.683 1.00 1.00 C ATOM 764 OD1 ASN A 114 6.574 16.607 3.271 1.00 1.00 O ATOM 765 ND2 ASN A 114 4.339 16.331 3.290 1.00 1.00 N ATOM 0 H ASN A 114 4.569 14.399 2.199 1.00 1.00 H new ATOM 0 HA ASN A 114 5.358 15.049 -0.445 1.00 1.00 H new ATOM 0 HB2 ASN A 114 6.141 17.202 0.749 1.00 1.00 H new ATOM 0 HB3 ASN A 114 4.435 16.816 0.844 1.00 1.00 H new ATOM 0 HD21 ASN A 114 4.290 16.315 4.309 1.00 1.00 H new ATOM 0 HD22 ASN A 114 3.488 16.232 2.737 1.00 1.00 H new ATOM 772 N TYR A 115 7.586 13.914 1.529 1.00 1.00 N ATOM 773 CA TYR A 115 8.987 13.575 1.711 1.00 1.00 C ATOM 774 C TYR A 115 9.279 12.159 1.208 1.00 1.00 C ATOM 775 O TYR A 115 10.431 11.810 0.958 1.00 1.00 O ATOM 776 CB TYR A 115 9.243 13.630 3.219 1.00 1.00 C ATOM 777 CG TYR A 115 9.899 14.929 3.692 1.00 1.00 C ATOM 778 CD1 TYR A 115 9.436 16.144 3.229 1.00 1.00 C ATOM 779 CD2 TYR A 115 10.953 14.885 4.581 1.00 1.00 C ATOM 780 CE1 TYR A 115 10.054 17.366 3.674 1.00 1.00 C ATOM 781 CE2 TYR A 115 11.571 16.107 5.026 1.00 1.00 C ATOM 782 CZ TYR A 115 11.091 17.287 4.551 1.00 1.00 C ATOM 783 OH TYR A 115 11.674 18.442 4.971 1.00 1.00 O ATOM 0 H TYR A 115 6.939 13.380 2.109 1.00 1.00 H new ATOM 0 HA TYR A 115 9.623 14.263 1.154 1.00 1.00 H new ATOM 0 HB2 TYR A 115 8.296 13.502 3.743 1.00 1.00 H new ATOM 0 HB3 TYR A 115 9.879 12.791 3.500 1.00 1.00 H new ATOM 0 HD1 TYR A 115 8.611 16.178 2.533 1.00 1.00 H new ATOM 0 HD2 TYR A 115 11.315 13.934 4.943 1.00 1.00 H new ATOM 0 HE1 TYR A 115 9.702 18.324 3.320 1.00 1.00 H new ATOM 0 HE2 TYR A 115 12.397 16.087 5.721 1.00 1.00 H new ATOM 0 HH TYR A 115 12.400 18.234 5.596 1.00 1.00 H new ATOM 793 N ILE A 116 8.214 11.382 1.075 1.00 1.00 N ATOM 794 CA ILE A 116 8.340 10.013 0.606 1.00 1.00 C ATOM 795 C ILE A 116 7.444 9.812 -0.617 1.00 1.00 C ATOM 796 O ILE A 116 6.304 10.276 -0.639 1.00 1.00 O ATOM 797 CB ILE A 116 8.059 9.029 1.744 1.00 1.00 C ATOM 798 CG1 ILE A 116 8.531 9.592 3.085 1.00 1.00 C ATOM 799 CG2 ILE A 116 8.673 7.659 1.449 1.00 1.00 C ATOM 800 CD1 ILE A 116 10.040 9.846 3.073 1.00 1.00 C ATOM 0 H ILE A 116 7.260 11.675 1.284 1.00 1.00 H new ATOM 0 HA ILE A 116 9.363 9.812 0.287 1.00 1.00 H new ATOM 0 HB ILE A 116 6.980 8.889 1.816 1.00 1.00 H new ATOM 0 HG12 ILE A 116 8.004 10.522 3.299 1.00 1.00 H new ATOM 0 HG13 ILE A 116 8.283 8.894 3.884 1.00 1.00 H new ATOM 0 HG21 ILE A 116 8.459 6.979 2.273 1.00 1.00 H new ATOM 0 HG22 ILE A 116 8.246 7.260 0.529 1.00 1.00 H new ATOM 0 HG23 ILE A 116 9.752 7.761 1.334 1.00 1.00 H new ATOM 0 HD11 ILE A 116 10.349 10.246 4.039 1.00 1.00 H new ATOM 0 HD12 ILE A 116 10.565 8.910 2.883 1.00 1.00 H new ATOM 0 HD13 ILE A 116 10.282 10.563 2.289 1.00 1.00 H new ATOM 812 N THR A 117 7.991 9.120 -1.605 1.00 1.00 N ATOM 813 CA THR A 117 7.255 8.852 -2.829 1.00 1.00 C ATOM 814 C THR A 117 7.118 7.344 -3.049 1.00 1.00 C ATOM 815 O THR A 117 7.880 6.559 -2.488 1.00 1.00 O ATOM 816 CB THR A 117 7.967 9.572 -3.976 1.00 1.00 C ATOM 817 OG1 THR A 117 7.866 8.665 -5.071 1.00 1.00 O ATOM 818 CG2 THR A 117 9.472 9.705 -3.740 1.00 1.00 C ATOM 0 H THR A 117 8.936 8.736 -1.583 1.00 1.00 H new ATOM 0 HA THR A 117 6.236 9.234 -2.770 1.00 1.00 H new ATOM 0 HB THR A 117 7.532 10.563 -4.108 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.301 9.053 -5.859 1.00 1.00 H new ATOM 0 HG21 THR A 117 9.928 10.223 -4.584 1.00 1.00 H new ATOM 0 HG22 THR A 117 9.648 10.273 -2.827 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.914 8.713 -3.641 1.00 1.00 H new ATOM 826 N PRO A 118 6.115 6.975 -3.890 1.00 1.00 N ATOM 827 CA PRO A 118 5.868 5.576 -4.192 1.00 1.00 C ATOM 828 C PRO A 118 6.923 5.028 -5.155 1.00 1.00 C ATOM 829 O PRO A 118 7.815 5.758 -5.585 1.00 1.00 O ATOM 830 CB PRO A 118 4.462 5.539 -4.768 1.00 1.00 C ATOM 831 CG PRO A 118 4.151 6.964 -5.199 1.00 1.00 C ATOM 832 CD PRO A 118 5.192 7.878 -4.573 1.00 1.00 C ATOM 0 HA PRO A 118 5.940 4.937 -3.312 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.404 4.854 -5.614 1.00 1.00 H new ATOM 0 HB3 PRO A 118 3.745 5.190 -4.025 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.173 7.048 -6.286 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.149 7.250 -4.878 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.705 8.471 -5.330 1.00 1.00 H new ATOM 0 HD3 PRO A 118 4.735 8.579 -3.875 1.00 1.00 H new ATOM 840 N VAL A 119 6.787 3.747 -5.466 1.00 1.00 N ATOM 841 CA VAL A 119 7.717 3.093 -6.370 1.00 1.00 C ATOM 842 C VAL A 119 7.065 2.944 -7.746 1.00 1.00 C ATOM 843 O VAL A 119 7.642 2.340 -8.648 1.00 1.00 O ATOM 844 CB VAL A 119 8.173 1.759 -5.777 1.00 1.00 C ATOM 845 CG1 VAL A 119 9.051 0.990 -6.766 1.00 1.00 C ATOM 846 CG2 VAL A 119 8.901 1.970 -4.447 1.00 1.00 C ATOM 0 H VAL A 119 6.046 3.145 -5.108 1.00 1.00 H new ATOM 0 HA VAL A 119 8.614 3.699 -6.499 1.00 1.00 H new ATOM 0 HB VAL A 119 7.284 1.159 -5.581 1.00 1.00 H new ATOM 0 HG11 VAL A 119 9.361 0.046 -6.319 1.00 1.00 H new ATOM 0 HG12 VAL A 119 8.486 0.792 -7.677 1.00 1.00 H new ATOM 0 HG13 VAL A 119 9.932 1.584 -7.008 1.00 1.00 H new ATOM 0 HG21 VAL A 119 9.215 1.006 -4.047 1.00 1.00 H new ATOM 0 HG22 VAL A 119 9.777 2.599 -4.607 1.00 1.00 H new ATOM 0 HG23 VAL A 119 8.231 2.456 -3.738 1.00 1.00 H new ATOM 856 N SER A 120 5.871 3.505 -7.863 1.00 1.00 N ATOM 857 CA SER A 120 5.134 3.442 -9.114 1.00 1.00 C ATOM 858 C SER A 120 5.112 4.820 -9.779 1.00 1.00 C ATOM 859 O SER A 120 5.942 5.023 -10.691 1.00 1.00 O ATOM 860 CB SER A 120 3.706 2.940 -8.887 1.00 1.00 C ATOM 861 OG SER A 120 3.680 1.719 -8.153 1.00 1.00 O ATOM 862 OXT SER A 120 4.306 5.676 -9.416 1.00 1.00 O ATOM 0 H SER A 120 5.395 4.005 -7.112 1.00 1.00 H new ATOM 0 HA SER A 120 5.639 2.736 -9.773 1.00 1.00 H new ATOM 0 HB2 SER A 120 3.136 3.698 -8.350 1.00 1.00 H new ATOM 0 HB3 SER A 120 3.215 2.795 -9.849 1.00 1.00 H new ATOM 0 HG SER A 120 2.751 1.433 -8.027 1.00 1.00 H new