USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=12 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 75 SER OG : rot 136:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot -105:sc= 0.867 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0104 X(o=-0.01,f=0.2) USER MOD Single : A 81 SER OG : rot -31:sc= -1.01 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 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.089 K(o=0.089,f=-3.7!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0135 X(o=-0.013,f=-0.13) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 100 CYS SG : rot 4:sc= -0.298 USER MOD Single : A 103 GLN : amide:sc= -7.28! C(o=-7.3!,f=-7.9!) USER MOD Single : A 104 THR OG1 : rot 166:sc= -5.82! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.9!) USER MOD Single : A 108 GLN : amide:sc= -0.79 K(o=-0.79,f=-2.7!) USER MOD Single : A 113 SER OG : rot -20:sc= 0.141 USER MOD Single : A 114 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.18) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 120 SER OG : rot 52:sc= 0.0897 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 6.320 1.434 -2.026 1.00 1.00 C ATOM 15 O LEU A 65 6.189 2.054 -3.080 1.00 1.00 O ATOM 16 CB LEU A 65 6.427 -0.972 -2.902 1.00 1.00 C ATOM 17 CG LEU A 65 7.791 -1.548 -2.516 1.00 1.00 C ATOM 18 CD1 LEU A 65 8.624 -0.520 -1.748 1.00 1.00 C ATOM 19 CD2 LEU A 65 7.632 -2.855 -1.735 1.00 1.00 C ATOM 0 HA LEU A 65 6.097 -0.361 -0.914 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.735 -1.800 -3.055 1.00 1.00 H new ATOM 0 HB3 LEU A 65 6.529 -0.460 -3.859 1.00 1.00 H new ATOM 0 HG LEU A 65 8.334 -1.782 -3.432 1.00 1.00 H new ATOM 0 HD11 LEU A 65 9.588 -0.956 -1.486 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.781 0.360 -2.371 1.00 1.00 H new ATOM 0 HD13 LEU A 65 8.097 -0.231 -0.838 1.00 1.00 H new ATOM 0 HD21 LEU A 65 8.616 -3.244 -1.473 1.00 1.00 H new ATOM 0 HD22 LEU A 65 7.061 -2.668 -0.825 1.00 1.00 H new ATOM 0 HD23 LEU A 65 7.106 -3.585 -2.350 1.00 1.00 H new ATOM 31 N PHE A 66 6.899 1.918 -0.937 1.00 1.00 N ATOM 32 CA PHE A 66 7.438 3.268 -0.914 1.00 1.00 C ATOM 33 C PHE A 66 8.968 3.246 -0.890 1.00 1.00 C ATOM 34 O PHE A 66 9.572 2.268 -0.454 1.00 1.00 O ATOM 35 CB PHE A 66 6.929 3.930 0.368 1.00 1.00 C ATOM 36 CG PHE A 66 5.530 3.478 0.789 1.00 1.00 C ATOM 37 CD1 PHE A 66 5.373 2.334 1.508 1.00 1.00 C ATOM 38 CD2 PHE A 66 4.443 4.219 0.445 1.00 1.00 C ATOM 39 CE1 PHE A 66 4.074 1.914 1.899 1.00 1.00 C ATOM 40 CE2 PHE A 66 3.144 3.799 0.836 1.00 1.00 C ATOM 41 CZ PHE A 66 2.987 2.655 1.555 1.00 1.00 C ATOM 0 H PHE A 66 7.007 1.400 -0.065 1.00 1.00 H new ATOM 0 HA PHE A 66 7.123 3.811 -1.805 1.00 1.00 H new ATOM 0 HB2 PHE A 66 7.627 3.716 1.177 1.00 1.00 H new ATOM 0 HB3 PHE A 66 6.924 5.011 0.229 1.00 1.00 H new ATOM 0 HD1 PHE A 66 6.236 1.745 1.781 1.00 1.00 H new ATOM 0 HD2 PHE A 66 4.568 5.127 -0.126 1.00 1.00 H new ATOM 0 HE1 PHE A 66 3.949 1.006 2.470 1.00 1.00 H new ATOM 0 HE2 PHE A 66 2.281 4.388 0.563 1.00 1.00 H new ATOM 0 HZ PHE A 66 1.999 2.335 1.853 1.00 1.00 H new ATOM 51 N VAL A 67 9.550 4.338 -1.365 1.00 1.00 N ATOM 52 CA VAL A 67 10.998 4.457 -1.403 1.00 1.00 C ATOM 53 C VAL A 67 11.429 5.663 -0.567 1.00 1.00 C ATOM 54 O VAL A 67 10.635 6.571 -0.326 1.00 1.00 O ATOM 55 CB VAL A 67 11.478 4.533 -2.854 1.00 1.00 C ATOM 56 CG1 VAL A 67 11.843 3.145 -3.385 1.00 1.00 C ATOM 57 CG2 VAL A 67 10.429 5.202 -3.744 1.00 1.00 C ATOM 0 H VAL A 67 9.046 5.147 -1.726 1.00 1.00 H new ATOM 0 HA VAL A 67 11.465 3.575 -0.965 1.00 1.00 H new ATOM 0 HB VAL A 67 12.378 5.147 -2.877 1.00 1.00 H new ATOM 0 HG11 VAL A 67 12.181 3.228 -4.418 1.00 1.00 H new ATOM 0 HG12 VAL A 67 12.641 2.720 -2.775 1.00 1.00 H new ATOM 0 HG13 VAL A 67 10.968 2.497 -3.340 1.00 1.00 H new ATOM 0 HG21 VAL A 67 10.795 5.243 -4.770 1.00 1.00 H new ATOM 0 HG22 VAL A 67 9.504 4.626 -3.712 1.00 1.00 H new ATOM 0 HG23 VAL A 67 10.239 6.214 -3.385 1.00 1.00 H new ATOM 67 N ALA A 68 12.685 5.633 -0.146 1.00 1.00 N ATOM 68 CA ALA A 68 13.231 6.713 0.658 1.00 1.00 C ATOM 69 C ALA A 68 13.377 7.965 -0.208 1.00 1.00 C ATOM 70 O ALA A 68 13.964 7.913 -1.288 1.00 1.00 O ATOM 71 CB ALA A 68 14.560 6.271 1.272 1.00 1.00 C ATOM 0 H ALA A 68 13.340 4.877 -0.347 1.00 1.00 H new ATOM 0 HA ALA A 68 12.558 6.957 1.479 1.00 1.00 H new ATOM 0 HB1 ALA A 68 14.970 7.081 1.875 1.00 1.00 H new ATOM 0 HB2 ALA A 68 14.397 5.397 1.902 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.262 6.020 0.477 1.00 1.00 H new ATOM 77 N LEU A 69 12.832 9.063 0.297 1.00 1.00 N ATOM 78 CA LEU A 69 12.895 10.326 -0.417 1.00 1.00 C ATOM 79 C LEU A 69 13.809 11.291 0.340 1.00 1.00 C ATOM 80 O LEU A 69 14.980 11.443 -0.006 1.00 1.00 O ATOM 81 CB LEU A 69 11.487 10.875 -0.659 1.00 1.00 C ATOM 82 CG LEU A 69 11.394 12.371 -0.967 1.00 1.00 C ATOM 83 CD1 LEU A 69 12.008 12.688 -2.332 1.00 1.00 C ATOM 84 CD2 LEU A 69 9.950 12.865 -0.859 1.00 1.00 C ATOM 0 H LEU A 69 12.345 9.103 1.192 1.00 1.00 H new ATOM 0 HA LEU A 69 13.331 10.183 -1.405 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.042 10.325 -1.488 1.00 1.00 H new ATOM 0 HB3 LEU A 69 10.881 10.668 0.223 1.00 1.00 H new ATOM 0 HG LEU A 69 11.975 12.911 -0.219 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.929 13.758 -2.527 1.00 1.00 H new ATOM 0 HD12 LEU A 69 13.058 12.395 -2.336 1.00 1.00 H new ATOM 0 HD13 LEU A 69 11.475 12.138 -3.107 1.00 1.00 H new ATOM 0 HD21 LEU A 69 9.912 13.931 -1.083 1.00 1.00 H new ATOM 0 HD22 LEU A 69 9.326 12.323 -1.569 1.00 1.00 H new ATOM 0 HD23 LEU A 69 9.581 12.693 0.152 1.00 1.00 H new ATOM 96 N TYR A 70 13.241 11.918 1.360 1.00 1.00 N ATOM 97 CA TYR A 70 13.991 12.863 2.169 1.00 1.00 C ATOM 98 C TYR A 70 15.030 12.144 3.031 1.00 1.00 C ATOM 99 O TYR A 70 14.949 10.932 3.225 1.00 1.00 O ATOM 100 CB TYR A 70 12.967 13.540 3.083 1.00 1.00 C ATOM 101 CG TYR A 70 12.139 14.626 2.393 1.00 1.00 C ATOM 102 CD1 TYR A 70 12.762 15.576 1.609 1.00 1.00 C ATOM 103 CD2 TYR A 70 10.769 14.656 2.554 1.00 1.00 C ATOM 104 CE1 TYR A 70 11.983 16.598 0.959 1.00 1.00 C ATOM 105 CE2 TYR A 70 9.989 15.678 1.905 1.00 1.00 C ATOM 106 CZ TYR A 70 10.635 16.598 1.139 1.00 1.00 C ATOM 107 OH TYR A 70 9.899 17.563 0.526 1.00 1.00 O ATOM 0 H TYR A 70 12.270 11.790 1.644 1.00 1.00 H new ATOM 0 HA TYR A 70 14.522 13.574 1.536 1.00 1.00 H new ATOM 0 HB2 TYR A 70 12.293 12.781 3.481 1.00 1.00 H new ATOM 0 HB3 TYR A 70 13.489 13.980 3.933 1.00 1.00 H new ATOM 0 HD1 TYR A 70 13.834 15.553 1.483 1.00 1.00 H new ATOM 0 HD2 TYR A 70 10.281 13.913 3.167 1.00 1.00 H new ATOM 0 HE1 TYR A 70 12.458 17.347 0.343 1.00 1.00 H new ATOM 0 HE2 TYR A 70 8.916 15.713 2.024 1.00 1.00 H new ATOM 0 HH TYR A 70 8.951 17.439 0.743 1.00 1.00 H new ATOM 117 N ASP A 71 15.982 12.921 3.526 1.00 1.00 N ATOM 118 CA ASP A 71 17.035 12.373 4.363 1.00 1.00 C ATOM 119 C ASP A 71 16.602 12.439 5.829 1.00 1.00 C ATOM 120 O ASP A 71 15.605 13.080 6.157 1.00 1.00 O ATOM 121 CB ASP A 71 18.329 13.177 4.216 1.00 1.00 C ATOM 122 CG ASP A 71 18.607 13.703 2.807 1.00 1.00 C ATOM 123 OD1 ASP A 71 17.715 14.399 2.275 1.00 1.00 O ATOM 124 OD2 ASP A 71 19.705 13.398 2.293 1.00 1.00 O ATOM 0 H ASP A 71 16.046 13.926 3.363 1.00 1.00 H new ATOM 0 HA ASP A 71 17.212 11.343 4.052 1.00 1.00 H new ATOM 0 HB2 ASP A 71 18.293 14.023 4.903 1.00 1.00 H new ATOM 0 HB3 ASP A 71 19.165 12.550 4.525 1.00 1.00 H new ATOM 129 N PHE A 72 17.373 11.767 6.672 1.00 1.00 N ATOM 130 CA PHE A 72 17.081 11.742 8.095 1.00 1.00 C ATOM 131 C PHE A 72 18.295 12.191 8.911 1.00 1.00 C ATOM 132 O PHE A 72 19.402 12.286 8.384 1.00 1.00 O ATOM 133 CB PHE A 72 16.746 10.293 8.456 1.00 1.00 C ATOM 134 CG PHE A 72 15.964 10.143 9.763 1.00 1.00 C ATOM 135 CD1 PHE A 72 16.621 10.162 10.954 1.00 1.00 C ATOM 136 CD2 PHE A 72 14.613 9.991 9.734 1.00 1.00 C ATOM 137 CE1 PHE A 72 15.895 10.022 12.167 1.00 1.00 C ATOM 138 CE2 PHE A 72 13.888 9.852 10.946 1.00 1.00 C ATOM 139 CZ PHE A 72 14.544 9.870 12.137 1.00 1.00 C ATOM 0 H PHE A 72 18.199 11.236 6.397 1.00 1.00 H new ATOM 0 HA PHE A 72 16.256 12.419 8.319 1.00 1.00 H new ATOM 0 HB2 PHE A 72 16.167 9.852 7.645 1.00 1.00 H new ATOM 0 HB3 PHE A 72 17.673 9.724 8.532 1.00 1.00 H new ATOM 0 HD1 PHE A 72 17.694 10.283 10.977 1.00 1.00 H new ATOM 0 HD2 PHE A 72 14.092 9.976 8.788 1.00 1.00 H new ATOM 0 HE1 PHE A 72 16.416 10.036 13.113 1.00 1.00 H new ATOM 0 HE2 PHE A 72 12.815 9.732 10.922 1.00 1.00 H new ATOM 0 HZ PHE A 72 13.992 9.764 13.059 1.00 1.00 H new ATOM 149 N VAL A 73 18.046 12.454 10.186 1.00 1.00 N ATOM 150 CA VAL A 73 19.104 12.891 11.080 1.00 1.00 C ATOM 151 C VAL A 73 19.143 11.973 12.304 1.00 1.00 C ATOM 152 O VAL A 73 18.104 11.498 12.762 1.00 1.00 O ATOM 153 CB VAL A 73 18.907 14.364 11.444 1.00 1.00 C ATOM 154 CG1 VAL A 73 17.668 14.551 12.321 1.00 1.00 C ATOM 155 CG2 VAL A 73 20.153 14.931 12.127 1.00 1.00 C ATOM 0 H VAL A 73 17.127 12.373 10.621 1.00 1.00 H new ATOM 0 HA VAL A 73 20.074 12.819 10.588 1.00 1.00 H new ATOM 0 HB VAL A 73 18.750 14.919 10.519 1.00 1.00 H new ATOM 0 HG11 VAL A 73 17.551 15.607 12.565 1.00 1.00 H new ATOM 0 HG12 VAL A 73 16.786 14.203 11.783 1.00 1.00 H new ATOM 0 HG13 VAL A 73 17.783 13.976 13.240 1.00 1.00 H new ATOM 0 HG21 VAL A 73 19.987 15.979 12.375 1.00 1.00 H new ATOM 0 HG22 VAL A 73 20.355 14.370 13.039 1.00 1.00 H new ATOM 0 HG23 VAL A 73 21.006 14.849 11.454 1.00 1.00 H new ATOM 165 N ALA A 74 20.351 11.750 12.799 1.00 1.00 N ATOM 166 CA ALA A 74 20.539 10.898 13.961 1.00 1.00 C ATOM 167 C ALA A 74 19.651 11.396 15.103 1.00 1.00 C ATOM 168 O ALA A 74 19.450 12.600 15.257 1.00 1.00 O ATOM 169 CB ALA A 74 22.020 10.873 14.342 1.00 1.00 C ATOM 0 H ALA A 74 21.210 12.145 12.416 1.00 1.00 H new ATOM 0 HA ALA A 74 20.243 9.873 13.737 1.00 1.00 H new ATOM 0 HB1 ALA A 74 22.161 10.234 15.214 1.00 1.00 H new ATOM 0 HB2 ALA A 74 22.604 10.483 13.508 1.00 1.00 H new ATOM 0 HB3 ALA A 74 22.353 11.884 14.576 1.00 1.00 H new ATOM 175 N SER A 75 19.143 10.446 15.873 1.00 1.00 N ATOM 176 CA SER A 75 18.281 10.773 16.996 1.00 1.00 C ATOM 177 C SER A 75 18.745 10.025 18.247 1.00 1.00 C ATOM 178 O SER A 75 19.690 9.239 18.191 1.00 1.00 O ATOM 179 CB SER A 75 16.821 10.436 16.687 1.00 1.00 C ATOM 180 OG SER A 75 16.356 11.102 15.516 1.00 1.00 O ATOM 0 H SER A 75 19.312 9.449 15.741 1.00 1.00 H new ATOM 0 HA SER A 75 18.347 11.846 17.176 1.00 1.00 H new ATOM 0 HB2 SER A 75 16.717 9.359 16.557 1.00 1.00 H new ATOM 0 HB3 SER A 75 16.197 10.716 17.536 1.00 1.00 H new ATOM 0 HG SER A 75 15.847 10.474 14.963 1.00 1.00 H new ATOM 186 N GLY A 76 18.059 10.295 19.348 1.00 1.00 N ATOM 187 CA GLY A 76 18.389 9.657 20.611 1.00 1.00 C ATOM 188 C GLY A 76 17.368 8.573 20.961 1.00 1.00 C ATOM 189 O GLY A 76 16.767 8.604 22.034 1.00 1.00 O ATOM 0 H GLY A 76 17.276 10.947 19.391 1.00 1.00 H new ATOM 0 HA2 GLY A 76 19.385 9.218 20.551 1.00 1.00 H new ATOM 0 HA3 GLY A 76 18.417 10.405 21.404 1.00 1.00 H new ATOM 193 N ASP A 77 17.203 7.640 20.035 1.00 1.00 N ATOM 194 CA ASP A 77 16.264 6.548 20.232 1.00 1.00 C ATOM 195 C ASP A 77 16.190 5.709 18.955 1.00 1.00 C ATOM 196 O ASP A 77 16.960 5.924 18.021 1.00 1.00 O ATOM 197 CB ASP A 77 14.861 7.076 20.534 1.00 1.00 C ATOM 198 CG ASP A 77 14.058 6.244 21.536 1.00 1.00 C ATOM 199 OD1 ASP A 77 13.393 5.290 21.079 1.00 1.00 O ATOM 200 OD2 ASP A 77 14.128 6.581 22.738 1.00 1.00 O ATOM 0 H ASP A 77 17.703 7.617 19.146 1.00 1.00 H new ATOM 0 HA ASP A 77 16.613 5.951 21.074 1.00 1.00 H new ATOM 0 HB2 ASP A 77 14.947 8.093 20.916 1.00 1.00 H new ATOM 0 HB3 ASP A 77 14.301 7.132 19.600 1.00 1.00 H new ATOM 205 N ASN A 78 15.255 4.769 18.957 1.00 1.00 N ATOM 206 CA ASN A 78 15.070 3.897 17.810 1.00 1.00 C ATOM 207 C ASN A 78 14.825 4.747 16.562 1.00 1.00 C ATOM 208 O ASN A 78 13.680 5.049 16.227 1.00 1.00 O ATOM 209 CB ASN A 78 13.860 2.981 18.004 1.00 1.00 C ATOM 210 CG ASN A 78 14.057 2.059 19.208 1.00 1.00 C ATOM 211 OD1 ASN A 78 13.668 2.360 20.324 1.00 1.00 O ATOM 212 ND2 ASN A 78 14.682 0.920 18.921 1.00 1.00 N ATOM 0 H ASN A 78 14.618 4.593 19.734 1.00 1.00 H new ATOM 0 HA ASN A 78 15.968 3.289 17.700 1.00 1.00 H new ATOM 0 HB2 ASN A 78 12.963 3.583 18.146 1.00 1.00 H new ATOM 0 HB3 ASN A 78 13.704 2.384 17.106 1.00 1.00 H new ATOM 0 HD21 ASN A 78 14.861 0.237 19.657 1.00 1.00 H new ATOM 0 HD22 ASN A 78 14.982 0.730 17.965 1.00 1.00 H new ATOM 219 N THR A 79 15.918 5.109 15.907 1.00 1.00 N ATOM 220 CA THR A 79 15.836 5.918 14.703 1.00 1.00 C ATOM 221 C THR A 79 16.716 5.326 13.601 1.00 1.00 C ATOM 222 O THR A 79 17.498 4.410 13.851 1.00 1.00 O ATOM 223 CB THR A 79 16.211 7.355 15.073 1.00 1.00 C ATOM 224 OG1 THR A 79 15.025 8.101 14.812 1.00 1.00 O ATOM 225 CG2 THR A 79 17.246 7.954 14.118 1.00 1.00 C ATOM 0 H THR A 79 16.866 4.857 16.187 1.00 1.00 H new ATOM 0 HA THR A 79 14.824 5.924 14.299 1.00 1.00 H new ATOM 0 HB THR A 79 16.600 7.378 16.091 1.00 1.00 H new ATOM 0 HG1 THR A 79 15.138 8.618 13.987 1.00 1.00 H new ATOM 0 HG21 THR A 79 17.477 8.974 14.425 1.00 1.00 H new ATOM 0 HG22 THR A 79 18.155 7.353 14.143 1.00 1.00 H new ATOM 0 HG23 THR A 79 16.844 7.962 13.105 1.00 1.00 H new ATOM 233 N LEU A 80 16.559 5.872 12.404 1.00 1.00 N ATOM 234 CA LEU A 80 17.329 5.409 11.262 1.00 1.00 C ATOM 235 C LEU A 80 17.863 6.616 10.489 1.00 1.00 C ATOM 236 O LEU A 80 17.088 7.408 9.955 1.00 1.00 O ATOM 237 CB LEU A 80 16.497 4.451 10.408 1.00 1.00 C ATOM 238 CG LEU A 80 17.261 3.295 9.759 1.00 1.00 C ATOM 239 CD1 LEU A 80 16.305 2.342 9.039 1.00 1.00 C ATOM 240 CD2 LEU A 80 18.359 3.816 8.830 1.00 1.00 C ATOM 0 H LEU A 80 15.909 6.631 12.200 1.00 1.00 H new ATOM 0 HA LEU A 80 18.194 4.834 11.594 1.00 1.00 H new ATOM 0 HB2 LEU A 80 15.707 4.033 11.031 1.00 1.00 H new ATOM 0 HB3 LEU A 80 16.011 5.027 9.620 1.00 1.00 H new ATOM 0 HG LEU A 80 17.751 2.724 10.548 1.00 1.00 H new ATOM 0 HD11 LEU A 80 16.873 1.530 8.586 1.00 1.00 H new ATOM 0 HD12 LEU A 80 15.593 1.932 9.755 1.00 1.00 H new ATOM 0 HD13 LEU A 80 15.767 2.885 8.262 1.00 1.00 H new ATOM 0 HD21 LEU A 80 18.886 2.974 8.382 1.00 1.00 H new ATOM 0 HD22 LEU A 80 17.912 4.424 8.044 1.00 1.00 H new ATOM 0 HD23 LEU A 80 19.062 4.422 9.402 1.00 1.00 H new ATOM 252 N SER A 81 19.184 6.719 10.454 1.00 1.00 N ATOM 253 CA SER A 81 19.830 7.817 9.755 1.00 1.00 C ATOM 254 C SER A 81 20.271 7.363 8.362 1.00 1.00 C ATOM 255 O SER A 81 21.191 6.556 8.231 1.00 1.00 O ATOM 256 CB SER A 81 21.029 8.343 10.546 1.00 1.00 C ATOM 257 OG SER A 81 20.665 8.745 11.864 1.00 1.00 O ATOM 0 H SER A 81 19.824 6.060 10.898 1.00 1.00 H new ATOM 0 HA SER A 81 19.110 8.629 9.654 1.00 1.00 H new ATOM 0 HB2 SER A 81 21.794 7.569 10.602 1.00 1.00 H new ATOM 0 HB3 SER A 81 21.469 9.189 10.018 1.00 1.00 H new ATOM 0 HG SER A 81 19.742 9.075 11.862 1.00 1.00 H new ATOM 263 N ILE A 82 19.595 7.900 7.358 1.00 1.00 N ATOM 264 CA ILE A 82 19.905 7.560 5.980 1.00 1.00 C ATOM 265 C ILE A 82 20.027 8.844 5.157 1.00 1.00 C ATOM 266 O ILE A 82 19.961 9.944 5.703 1.00 1.00 O ATOM 267 CB ILE A 82 18.877 6.571 5.427 1.00 1.00 C ATOM 268 CG1 ILE A 82 17.765 6.311 6.445 1.00 1.00 C ATOM 269 CG2 ILE A 82 19.552 5.276 4.971 1.00 1.00 C ATOM 270 CD1 ILE A 82 16.803 7.498 6.522 1.00 1.00 C ATOM 0 H ILE A 82 18.833 8.569 7.471 1.00 1.00 H new ATOM 0 HA ILE A 82 20.867 7.050 5.921 1.00 1.00 H new ATOM 0 HB ILE A 82 18.411 7.017 4.548 1.00 1.00 H new ATOM 0 HG12 ILE A 82 17.216 5.411 6.167 1.00 1.00 H new ATOM 0 HG13 ILE A 82 18.202 6.128 7.427 1.00 1.00 H new ATOM 0 HG21 ILE A 82 18.799 4.590 4.582 1.00 1.00 H new ATOM 0 HG22 ILE A 82 20.277 5.500 4.189 1.00 1.00 H new ATOM 0 HG23 ILE A 82 20.061 4.814 5.817 1.00 1.00 H new ATOM 0 HD11 ILE A 82 16.022 7.287 7.253 1.00 1.00 H new ATOM 0 HD12 ILE A 82 17.350 8.391 6.823 1.00 1.00 H new ATOM 0 HD13 ILE A 82 16.350 7.663 5.545 1.00 1.00 H new ATOM 282 N THR A 83 20.204 8.662 3.857 1.00 1.00 N ATOM 283 CA THR A 83 20.336 9.792 2.953 1.00 1.00 C ATOM 284 C THR A 83 19.315 9.690 1.818 1.00 1.00 C ATOM 285 O THR A 83 18.823 8.604 1.517 1.00 1.00 O ATOM 286 CB THR A 83 21.785 9.841 2.465 1.00 1.00 C ATOM 287 OG1 THR A 83 22.547 9.436 3.599 1.00 1.00 O ATOM 288 CG2 THR A 83 22.261 11.268 2.186 1.00 1.00 C ATOM 0 H THR A 83 20.259 7.748 3.408 1.00 1.00 H new ATOM 0 HA THR A 83 20.117 10.732 3.460 1.00 1.00 H new ATOM 0 HB THR A 83 21.883 9.242 1.559 1.00 1.00 H new ATOM 0 HG1 THR A 83 23.500 9.438 3.370 1.00 1.00 H new ATOM 0 HG21 THR A 83 23.295 11.246 1.843 1.00 1.00 H new ATOM 0 HG22 THR A 83 21.633 11.717 1.417 1.00 1.00 H new ATOM 0 HG23 THR A 83 22.195 11.859 3.100 1.00 1.00 H new ATOM 296 N LYS A 84 19.027 10.836 1.220 1.00 1.00 N ATOM 297 CA LYS A 84 18.073 10.889 0.124 1.00 1.00 C ATOM 298 C LYS A 84 18.532 9.949 -0.992 1.00 1.00 C ATOM 299 O LYS A 84 19.566 9.293 -0.870 1.00 1.00 O ATOM 300 CB LYS A 84 17.865 12.334 -0.335 1.00 1.00 C ATOM 301 CG LYS A 84 18.719 12.646 -1.566 1.00 1.00 C ATOM 302 CD LYS A 84 20.166 12.193 -1.358 1.00 1.00 C ATOM 303 CE LYS A 84 21.149 13.268 -1.826 1.00 1.00 C ATOM 304 NZ LYS A 84 22.269 12.655 -2.574 1.00 1.00 N ATOM 0 H LYS A 84 19.437 11.735 1.473 1.00 1.00 H new ATOM 0 HA LYS A 84 17.094 10.539 0.453 1.00 1.00 H new ATOM 0 HB2 LYS A 84 16.813 12.498 -0.567 1.00 1.00 H new ATOM 0 HB3 LYS A 84 18.123 13.017 0.474 1.00 1.00 H new ATOM 0 HG2 LYS A 84 18.300 12.147 -2.440 1.00 1.00 H new ATOM 0 HG3 LYS A 84 18.695 13.717 -1.768 1.00 1.00 H new ATOM 0 HD2 LYS A 84 20.335 11.975 -0.303 1.00 1.00 H new ATOM 0 HD3 LYS A 84 20.344 11.268 -1.907 1.00 1.00 H new ATOM 0 HE2 LYS A 84 20.633 13.990 -2.459 1.00 1.00 H new ATOM 0 HE3 LYS A 84 21.535 13.816 -0.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 22.927 13.398 -2.885 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 22.771 11.983 -1.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 21.897 12.152 -3.405 1.00 1.00 H new ATOM 318 N GLY A 85 17.742 9.913 -2.054 1.00 1.00 N ATOM 319 CA GLY A 85 18.054 9.064 -3.191 1.00 1.00 C ATOM 320 C GLY A 85 18.863 7.840 -2.756 1.00 1.00 C ATOM 321 O GLY A 85 19.939 7.581 -3.291 1.00 1.00 O ATOM 0 H GLY A 85 16.886 10.458 -2.152 1.00 1.00 H new ATOM 0 HA2 GLY A 85 17.131 8.742 -3.673 1.00 1.00 H new ATOM 0 HA3 GLY A 85 18.618 9.633 -3.930 1.00 1.00 H new ATOM 325 N GLU A 86 18.313 7.121 -1.788 1.00 1.00 N ATOM 326 CA GLU A 86 18.970 5.931 -1.275 1.00 1.00 C ATOM 327 C GLU A 86 18.066 4.709 -1.449 1.00 1.00 C ATOM 328 O GLU A 86 16.860 4.847 -1.646 1.00 1.00 O ATOM 329 CB GLU A 86 19.368 6.114 0.191 1.00 1.00 C ATOM 330 CG GLU A 86 20.326 5.009 0.641 1.00 1.00 C ATOM 331 CD GLU A 86 21.302 5.527 1.699 1.00 1.00 C ATOM 332 OE1 GLU A 86 21.791 6.662 1.514 1.00 1.00 O ATOM 333 OE2 GLU A 86 21.538 4.775 2.670 1.00 1.00 O ATOM 0 H GLU A 86 17.420 7.340 -1.346 1.00 1.00 H new ATOM 0 HA GLU A 86 19.883 5.768 -1.848 1.00 1.00 H new ATOM 0 HB2 GLU A 86 19.841 7.087 0.324 1.00 1.00 H new ATOM 0 HB3 GLU A 86 18.476 6.105 0.818 1.00 1.00 H new ATOM 0 HG2 GLU A 86 19.757 4.172 1.045 1.00 1.00 H new ATOM 0 HG3 GLU A 86 20.881 4.632 -0.218 1.00 1.00 H new ATOM 340 N LYS A 87 18.684 3.539 -1.369 1.00 1.00 N ATOM 341 CA LYS A 87 17.951 2.294 -1.515 1.00 1.00 C ATOM 342 C LYS A 87 17.347 1.901 -0.165 1.00 1.00 C ATOM 343 O LYS A 87 17.920 1.092 0.563 1.00 1.00 O ATOM 344 CB LYS A 87 18.845 1.214 -2.127 1.00 1.00 C ATOM 345 CG LYS A 87 18.171 -0.158 -2.062 1.00 1.00 C ATOM 346 CD LYS A 87 18.986 -1.130 -1.205 1.00 1.00 C ATOM 347 CE LYS A 87 18.423 -2.549 -1.300 1.00 1.00 C ATOM 348 NZ LYS A 87 17.586 -2.855 -0.119 1.00 1.00 N ATOM 0 H LYS A 87 19.685 3.428 -1.205 1.00 1.00 H new ATOM 0 HA LYS A 87 17.122 2.420 -2.211 1.00 1.00 H new ATOM 0 HB2 LYS A 87 19.067 1.465 -3.164 1.00 1.00 H new ATOM 0 HB3 LYS A 87 19.797 1.181 -1.597 1.00 1.00 H new ATOM 0 HG2 LYS A 87 17.168 -0.055 -1.647 1.00 1.00 H new ATOM 0 HG3 LYS A 87 18.060 -0.561 -3.069 1.00 1.00 H new ATOM 0 HD2 LYS A 87 20.026 -1.125 -1.532 1.00 1.00 H new ATOM 0 HD3 LYS A 87 18.977 -0.800 -0.166 1.00 1.00 H new ATOM 0 HE2 LYS A 87 17.831 -2.651 -2.209 1.00 1.00 H new ATOM 0 HE3 LYS A 87 19.240 -3.267 -1.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 17.212 -3.822 -0.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 18.161 -2.777 0.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 16.795 -2.181 -0.070 1.00 1.00 H new ATOM 362 N LEU A 88 16.198 2.492 0.128 1.00 1.00 N ATOM 363 CA LEU A 88 15.511 2.214 1.378 1.00 1.00 C ATOM 364 C LEU A 88 14.000 2.242 1.141 1.00 1.00 C ATOM 365 O LEU A 88 13.460 3.243 0.673 1.00 1.00 O ATOM 366 CB LEU A 88 15.981 3.174 2.473 1.00 1.00 C ATOM 367 CG LEU A 88 15.130 3.209 3.744 1.00 1.00 C ATOM 368 CD1 LEU A 88 15.870 3.918 4.880 1.00 1.00 C ATOM 369 CD2 LEU A 88 13.762 3.839 3.471 1.00 1.00 C ATOM 0 H LEU A 88 15.725 3.162 -0.479 1.00 1.00 H new ATOM 0 HA LEU A 88 15.759 1.215 1.736 1.00 1.00 H new ATOM 0 HB2 LEU A 88 17.001 2.907 2.750 1.00 1.00 H new ATOM 0 HB3 LEU A 88 16.017 4.180 2.056 1.00 1.00 H new ATOM 0 HG LEU A 88 14.954 2.182 4.065 1.00 1.00 H new ATOM 0 HD11 LEU A 88 15.243 3.929 5.772 1.00 1.00 H new ATOM 0 HD12 LEU A 88 16.798 3.389 5.096 1.00 1.00 H new ATOM 0 HD13 LEU A 88 16.097 4.942 4.583 1.00 1.00 H new ATOM 0 HD21 LEU A 88 13.177 3.852 4.391 1.00 1.00 H new ATOM 0 HD22 LEU A 88 13.896 4.860 3.112 1.00 1.00 H new ATOM 0 HD23 LEU A 88 13.237 3.255 2.715 1.00 1.00 H new ATOM 381 N ARG A 89 13.360 1.132 1.476 1.00 1.00 N ATOM 382 CA ARG A 89 11.921 1.017 1.306 1.00 1.00 C ATOM 383 C ARG A 89 11.289 0.382 2.546 1.00 1.00 C ATOM 384 O ARG A 89 11.908 -0.452 3.205 1.00 1.00 O ATOM 385 CB ARG A 89 11.578 0.172 0.078 1.00 1.00 C ATOM 386 CG ARG A 89 12.442 0.569 -1.120 1.00 1.00 C ATOM 387 CD ARG A 89 12.199 -0.366 -2.306 1.00 1.00 C ATOM 388 NE ARG A 89 12.977 -1.613 -2.136 1.00 1.00 N ATOM 389 CZ ARG A 89 14.254 -1.759 -2.515 1.00 1.00 C ATOM 390 NH1 ARG A 89 14.904 -0.737 -3.088 1.00 1.00 N ATOM 391 NH2 ARG A 89 14.881 -2.927 -2.321 1.00 1.00 N ATOM 0 H ARG A 89 13.811 0.304 1.864 1.00 1.00 H new ATOM 0 HA ARG A 89 11.522 2.022 1.165 1.00 1.00 H new ATOM 0 HB2 ARG A 89 11.728 -0.883 0.305 1.00 1.00 H new ATOM 0 HB3 ARG A 89 10.524 0.298 -0.171 1.00 1.00 H new ATOM 0 HG2 ARG A 89 12.218 1.596 -1.410 1.00 1.00 H new ATOM 0 HG3 ARG A 89 13.495 0.540 -0.839 1.00 1.00 H new ATOM 0 HD2 ARG A 89 11.137 -0.598 -2.385 1.00 1.00 H new ATOM 0 HD3 ARG A 89 12.487 0.128 -3.234 1.00 1.00 H new ATOM 0 HE ARG A 89 12.512 -2.411 -1.703 1.00 1.00 H new ATOM 0 HH11 ARG A 89 14.427 0.152 -3.236 1.00 1.00 H new ATOM 0 HH12 ARG A 89 15.876 -0.848 -3.376 1.00 1.00 H new ATOM 0 HH21 ARG A 89 14.386 -3.705 -1.885 1.00 1.00 H new ATOM 0 HH22 ARG A 89 15.853 -3.038 -2.610 1.00 1.00 H new ATOM 405 N VAL A 90 10.064 0.801 2.827 1.00 1.00 N ATOM 406 CA VAL A 90 9.341 0.284 3.977 1.00 1.00 C ATOM 407 C VAL A 90 8.963 -1.177 3.721 1.00 1.00 C ATOM 408 O VAL A 90 8.363 -1.496 2.696 1.00 1.00 O ATOM 409 CB VAL A 90 8.131 1.171 4.276 1.00 1.00 C ATOM 410 CG1 VAL A 90 7.100 0.423 5.124 1.00 1.00 C ATOM 411 CG2 VAL A 90 8.560 2.472 4.956 1.00 1.00 C ATOM 0 H VAL A 90 9.554 1.493 2.278 1.00 1.00 H new ATOM 0 HA VAL A 90 9.971 0.306 4.866 1.00 1.00 H new ATOM 0 HB VAL A 90 7.661 1.429 3.327 1.00 1.00 H new ATOM 0 HG11 VAL A 90 6.250 1.076 5.323 1.00 1.00 H new ATOM 0 HG12 VAL A 90 6.760 -0.462 4.587 1.00 1.00 H new ATOM 0 HG13 VAL A 90 7.555 0.122 6.068 1.00 1.00 H new ATOM 0 HG21 VAL A 90 7.681 3.084 5.158 1.00 1.00 H new ATOM 0 HG22 VAL A 90 9.065 2.243 5.894 1.00 1.00 H new ATOM 0 HG23 VAL A 90 9.240 3.018 4.302 1.00 1.00 H new ATOM 421 N LEU A 91 9.331 -2.024 4.670 1.00 1.00 N ATOM 422 CA LEU A 91 9.038 -3.444 4.561 1.00 1.00 C ATOM 423 C LEU A 91 7.901 -3.801 5.520 1.00 1.00 C ATOM 424 O LEU A 91 7.115 -4.707 5.247 1.00 1.00 O ATOM 425 CB LEU A 91 10.307 -4.271 4.777 1.00 1.00 C ATOM 426 CG LEU A 91 10.878 -4.958 3.535 1.00 1.00 C ATOM 427 CD1 LEU A 91 12.034 -5.890 3.907 1.00 1.00 C ATOM 428 CD2 LEU A 91 9.781 -5.688 2.758 1.00 1.00 C ATOM 0 H LEU A 91 9.829 -1.755 5.518 1.00 1.00 H new ATOM 0 HA LEU A 91 8.695 -3.686 3.555 1.00 1.00 H new ATOM 0 HB2 LEU A 91 11.075 -3.619 5.193 1.00 1.00 H new ATOM 0 HB3 LEU A 91 10.096 -5.034 5.526 1.00 1.00 H new ATOM 0 HG LEU A 91 11.282 -4.190 2.876 1.00 1.00 H new ATOM 0 HD11 LEU A 91 12.422 -6.366 3.006 1.00 1.00 H new ATOM 0 HD12 LEU A 91 12.827 -5.314 4.383 1.00 1.00 H new ATOM 0 HD13 LEU A 91 11.677 -6.655 4.597 1.00 1.00 H new ATOM 0 HD21 LEU A 91 10.214 -6.167 1.880 1.00 1.00 H new ATOM 0 HD22 LEU A 91 9.325 -6.444 3.397 1.00 1.00 H new ATOM 0 HD23 LEU A 91 9.021 -4.973 2.443 1.00 1.00 H new ATOM 440 N GLY A 92 7.850 -3.070 6.625 1.00 1.00 N ATOM 441 CA GLY A 92 6.822 -3.299 7.626 1.00 1.00 C ATOM 442 C GLY A 92 6.236 -1.975 8.122 1.00 1.00 C ATOM 443 O GLY A 92 6.783 -0.908 7.847 1.00 1.00 O ATOM 0 H GLY A 92 8.504 -2.320 6.848 1.00 1.00 H new ATOM 0 HA2 GLY A 92 6.029 -3.916 7.204 1.00 1.00 H new ATOM 0 HA3 GLY A 92 7.243 -3.852 8.466 1.00 1.00 H new ATOM 447 N TYR A 93 5.131 -2.088 8.845 1.00 1.00 N ATOM 448 CA TYR A 93 4.466 -0.914 9.382 1.00 1.00 C ATOM 449 C TYR A 93 4.140 -1.098 10.866 1.00 1.00 C ATOM 450 O TYR A 93 4.128 -2.222 11.367 1.00 1.00 O ATOM 451 CB TYR A 93 3.159 -0.774 8.599 1.00 1.00 C ATOM 452 CG TYR A 93 3.233 -1.305 7.166 1.00 1.00 C ATOM 453 CD1 TYR A 93 3.295 -2.664 6.936 1.00 1.00 C ATOM 454 CD2 TYR A 93 3.237 -0.424 6.103 1.00 1.00 C ATOM 455 CE1 TYR A 93 3.365 -3.163 5.587 1.00 1.00 C ATOM 456 CE2 TYR A 93 3.307 -0.923 4.754 1.00 1.00 C ATOM 457 CZ TYR A 93 3.367 -2.268 4.563 1.00 1.00 C ATOM 458 OH TYR A 93 3.433 -2.740 3.289 1.00 1.00 O ATOM 0 H TYR A 93 4.680 -2.975 9.071 1.00 1.00 H new ATOM 0 HA TYR A 93 5.105 -0.036 9.290 1.00 1.00 H new ATOM 0 HB2 TYR A 93 2.370 -1.304 9.132 1.00 1.00 H new ATOM 0 HB3 TYR A 93 2.874 0.278 8.572 1.00 1.00 H new ATOM 0 HD1 TYR A 93 3.291 -3.353 7.767 1.00 1.00 H new ATOM 0 HD2 TYR A 93 3.188 0.640 6.283 1.00 1.00 H new ATOM 0 HE1 TYR A 93 3.415 -4.224 5.393 1.00 1.00 H new ATOM 0 HE2 TYR A 93 3.312 -0.245 3.914 1.00 1.00 H new ATOM 0 HH TYR A 93 3.425 -1.988 2.661 1.00 1.00 H new ATOM 468 N ASN A 94 3.884 0.021 11.526 1.00 1.00 N ATOM 469 CA ASN A 94 3.559 -0.003 12.943 1.00 1.00 C ATOM 470 C ASN A 94 2.105 -0.445 13.120 1.00 1.00 C ATOM 471 O ASN A 94 1.706 -0.855 14.209 1.00 1.00 O ATOM 472 CB ASN A 94 3.711 1.385 13.567 1.00 1.00 C ATOM 473 CG ASN A 94 2.410 2.183 13.454 1.00 1.00 C ATOM 474 OD1 ASN A 94 1.495 2.041 14.248 1.00 1.00 O ATOM 475 ND2 ASN A 94 2.380 3.026 12.426 1.00 1.00 N ATOM 0 H ASN A 94 3.895 0.951 11.107 1.00 1.00 H new ATOM 0 HA ASN A 94 4.243 -0.695 13.434 1.00 1.00 H new ATOM 0 HB2 ASN A 94 3.992 1.287 14.616 1.00 1.00 H new ATOM 0 HB3 ASN A 94 4.517 1.925 13.070 1.00 1.00 H new ATOM 0 HD21 ASN A 94 1.555 3.604 12.264 1.00 1.00 H new ATOM 0 HD22 ASN A 94 3.182 3.095 11.799 1.00 1.00 H new ATOM 482 N HIS A 95 1.353 -0.346 12.034 1.00 1.00 N ATOM 483 CA HIS A 95 -0.048 -0.730 12.056 1.00 1.00 C ATOM 484 C HIS A 95 -0.894 0.445 12.552 1.00 1.00 C ATOM 485 O HIS A 95 -1.270 0.493 13.722 1.00 1.00 O ATOM 486 CB HIS A 95 -0.251 -1.999 12.887 1.00 1.00 C ATOM 487 CG HIS A 95 -1.156 -3.019 12.238 1.00 1.00 C ATOM 488 ND1 HIS A 95 -2.328 -2.676 11.587 1.00 1.00 N ATOM 489 CD2 HIS A 95 -1.047 -4.376 12.147 1.00 1.00 C ATOM 490 CE1 HIS A 95 -2.892 -3.784 11.130 1.00 1.00 C ATOM 491 NE2 HIS A 95 -2.097 -4.836 11.478 1.00 1.00 N ATOM 0 H HIS A 95 1.688 -0.005 11.133 1.00 1.00 H new ATOM 0 HA HIS A 95 -0.379 -0.971 11.046 1.00 1.00 H new ATOM 0 HB2 HIS A 95 0.720 -2.457 13.075 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -0.667 -1.724 13.856 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -0.243 -4.974 12.551 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -3.819 -3.844 10.579 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -2.279 -5.816 11.260 1.00 1.00 H new ATOM 499 N ASN A 96 -1.169 1.362 11.637 1.00 1.00 N ATOM 500 CA ASN A 96 -1.964 2.533 11.966 1.00 1.00 C ATOM 501 C ASN A 96 -1.928 3.515 10.793 1.00 1.00 C ATOM 502 O ASN A 96 -2.967 4.014 10.365 1.00 1.00 O ATOM 503 CB ASN A 96 -1.407 3.248 13.199 1.00 1.00 C ATOM 504 CG ASN A 96 -2.032 4.636 13.357 1.00 1.00 C ATOM 505 OD1 ASN A 96 -1.403 5.657 13.133 1.00 1.00 O ATOM 506 ND2 ASN A 96 -3.301 4.615 13.754 1.00 1.00 N ATOM 0 H ASN A 96 -0.855 1.318 10.667 1.00 1.00 H new ATOM 0 HA ASN A 96 -2.983 2.203 12.170 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -1.606 2.652 14.090 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -0.324 3.340 13.112 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -3.808 5.490 13.889 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -3.768 3.724 13.924 1.00 1.00 H new ATOM 513 N GLY A 97 -0.720 3.763 10.308 1.00 1.00 N ATOM 514 CA GLY A 97 -0.535 4.677 9.193 1.00 1.00 C ATOM 515 C GLY A 97 0.188 5.949 9.641 1.00 1.00 C ATOM 516 O GLY A 97 -0.133 7.044 9.182 1.00 1.00 O ATOM 0 H GLY A 97 0.140 3.347 10.666 1.00 1.00 H new ATOM 0 HA2 GLY A 97 0.039 4.186 8.407 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -1.504 4.936 8.766 1.00 1.00 H new ATOM 520 N GLU A 98 1.151 5.761 10.532 1.00 1.00 N ATOM 521 CA GLU A 98 1.922 6.880 11.047 1.00 1.00 C ATOM 522 C GLU A 98 3.408 6.691 10.732 1.00 1.00 C ATOM 523 O GLU A 98 4.000 7.493 10.012 1.00 1.00 O ATOM 524 CB GLU A 98 1.699 7.055 12.550 1.00 1.00 C ATOM 525 CG GLU A 98 0.702 8.182 12.829 1.00 1.00 C ATOM 526 CD GLU A 98 0.359 8.254 14.318 1.00 1.00 C ATOM 527 OE1 GLU A 98 1.311 8.176 15.124 1.00 1.00 O ATOM 528 OE2 GLU A 98 -0.848 8.385 14.616 1.00 1.00 O ATOM 0 H GLU A 98 1.415 4.851 10.910 1.00 1.00 H new ATOM 0 HA GLU A 98 1.578 7.789 10.554 1.00 1.00 H new ATOM 0 HB2 GLU A 98 1.329 6.123 12.977 1.00 1.00 H new ATOM 0 HB3 GLU A 98 2.648 7.275 13.039 1.00 1.00 H new ATOM 0 HG2 GLU A 98 1.122 9.133 12.503 1.00 1.00 H new ATOM 0 HG3 GLU A 98 -0.207 8.020 12.250 1.00 1.00 H new ATOM 535 N TRP A 99 3.966 5.625 11.286 1.00 1.00 N ATOM 536 CA TRP A 99 5.371 5.320 11.074 1.00 1.00 C ATOM 537 C TRP A 99 5.468 3.890 10.538 1.00 1.00 C ATOM 538 O TRP A 99 4.585 3.070 10.784 1.00 1.00 O ATOM 539 CB TRP A 99 6.179 5.535 12.355 1.00 1.00 C ATOM 540 CG TRP A 99 6.481 7.003 12.661 1.00 1.00 C ATOM 541 CD1 TRP A 99 5.609 8.005 12.840 1.00 1.00 C ATOM 542 CD2 TRP A 99 7.787 7.598 12.818 1.00 1.00 C ATOM 543 NE1 TRP A 99 6.255 9.197 13.100 1.00 1.00 N ATOM 544 CE2 TRP A 99 7.621 8.941 13.086 1.00 1.00 C ATOM 545 CE3 TRP A 99 9.066 7.019 12.736 1.00 1.00 C ATOM 546 CZ2 TRP A 99 8.692 9.819 13.293 1.00 1.00 C ATOM 547 CZ3 TRP A 99 10.125 7.910 12.946 1.00 1.00 C ATOM 548 CH2 TRP A 99 9.975 9.265 13.217 1.00 1.00 C ATOM 0 H TRP A 99 3.471 4.961 11.882 1.00 1.00 H new ATOM 0 HA TRP A 99 5.806 5.998 10.340 1.00 1.00 H new ATOM 0 HB2 TRP A 99 5.632 5.105 13.194 1.00 1.00 H new ATOM 0 HB3 TRP A 99 7.120 4.990 12.275 1.00 1.00 H new ATOM 0 HD1 TRP A 99 4.536 7.894 12.787 1.00 1.00 H new ATOM 0 HE1 TRP A 99 5.811 10.099 13.271 1.00 1.00 H new ATOM 0 HE3 TRP A 99 9.219 5.970 12.528 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 8.536 10.867 13.500 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 11.130 7.517 12.894 1.00 1.00 H new ATOM 0 HH2 TRP A 99 10.845 9.887 13.368 1.00 1.00 H new ATOM 559 N CYS A 100 6.550 3.635 9.816 1.00 1.00 N ATOM 560 CA CYS A 100 6.774 2.318 9.244 1.00 1.00 C ATOM 561 C CYS A 100 8.234 1.931 9.489 1.00 1.00 C ATOM 562 O CYS A 100 9.121 2.781 9.447 1.00 1.00 O ATOM 563 CB CYS A 100 6.415 2.279 7.758 1.00 1.00 C ATOM 564 SG CYS A 100 4.602 2.420 7.548 1.00 1.00 S ATOM 0 H CYS A 100 7.280 4.318 9.614 1.00 1.00 H new ATOM 0 HA CYS A 100 6.120 1.592 9.727 1.00 1.00 H new ATOM 0 HB2 CYS A 100 6.915 3.093 7.233 1.00 1.00 H new ATOM 0 HB3 CYS A 100 6.770 1.349 7.314 1.00 1.00 H new ATOM 0 HG CYS A 100 4.043 2.598 8.708 1.00 1.00 H new ATOM 570 N GLU A 101 8.437 0.646 9.741 1.00 1.00 N ATOM 571 CA GLU A 101 9.774 0.135 9.992 1.00 1.00 C ATOM 572 C GLU A 101 10.485 -0.165 8.671 1.00 1.00 C ATOM 573 O GLU A 101 9.905 -0.775 7.774 1.00 1.00 O ATOM 574 CB GLU A 101 9.727 -1.108 10.884 1.00 1.00 C ATOM 575 CG GLU A 101 11.102 -1.401 11.488 1.00 1.00 C ATOM 576 CD GLU A 101 11.072 -1.261 13.011 1.00 1.00 C ATOM 577 OE1 GLU A 101 10.290 -2.010 13.635 1.00 1.00 O ATOM 578 OE2 GLU A 101 11.833 -0.407 13.517 1.00 1.00 O ATOM 0 H GLU A 101 7.698 -0.056 9.777 1.00 1.00 H new ATOM 0 HA GLU A 101 10.341 0.901 10.521 1.00 1.00 H new ATOM 0 HB2 GLU A 101 8.999 -0.960 11.682 1.00 1.00 H new ATOM 0 HB3 GLU A 101 9.391 -1.966 10.301 1.00 1.00 H new ATOM 0 HG2 GLU A 101 11.414 -2.410 11.218 1.00 1.00 H new ATOM 0 HG3 GLU A 101 11.840 -0.716 11.071 1.00 1.00 H new ATOM 585 N ALA A 102 11.731 0.278 8.593 1.00 1.00 N ATOM 586 CA ALA A 102 12.528 0.066 7.397 1.00 1.00 C ATOM 587 C ALA A 102 13.929 -0.401 7.798 1.00 1.00 C ATOM 588 O ALA A 102 14.297 -0.334 8.970 1.00 1.00 O ATOM 589 CB ALA A 102 12.557 1.351 6.567 1.00 1.00 C ATOM 0 H ALA A 102 12.209 0.783 9.339 1.00 1.00 H new ATOM 0 HA ALA A 102 12.086 -0.713 6.776 1.00 1.00 H new ATOM 0 HB1 ALA A 102 13.155 1.191 5.670 1.00 1.00 H new ATOM 0 HB2 ALA A 102 11.541 1.623 6.282 1.00 1.00 H new ATOM 0 HB3 ALA A 102 12.996 2.156 7.157 1.00 1.00 H new ATOM 595 N GLN A 103 14.671 -0.864 6.803 1.00 1.00 N ATOM 596 CA GLN A 103 16.023 -1.341 7.038 1.00 1.00 C ATOM 597 C GLN A 103 17.039 -0.400 6.388 1.00 1.00 C ATOM 598 O GLN A 103 16.686 0.396 5.519 1.00 1.00 O ATOM 599 CB GLN A 103 16.196 -2.773 6.526 1.00 1.00 C ATOM 600 CG GLN A 103 14.964 -3.622 6.846 1.00 1.00 C ATOM 601 CD GLN A 103 14.295 -4.123 5.564 1.00 1.00 C ATOM 602 OE1 GLN A 103 14.615 -5.176 5.037 1.00 1.00 O ATOM 603 NE2 GLN A 103 13.352 -3.312 5.093 1.00 1.00 N ATOM 0 H GLN A 103 14.362 -0.919 5.833 1.00 1.00 H new ATOM 0 HA GLN A 103 16.202 -1.350 8.113 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.364 -2.760 5.449 1.00 1.00 H new ATOM 0 HB3 GLN A 103 17.079 -3.221 6.981 1.00 1.00 H new ATOM 0 HG2 GLN A 103 15.254 -4.471 7.465 1.00 1.00 H new ATOM 0 HG3 GLN A 103 14.253 -3.033 7.425 1.00 1.00 H new ATOM 0 HE21 GLN A 103 13.133 -2.445 5.584 1.00 1.00 H new ATOM 0 HE22 GLN A 103 12.847 -3.557 4.241 1.00 1.00 H new ATOM 612 N THR A 104 18.281 -0.523 6.833 1.00 1.00 N ATOM 613 CA THR A 104 19.351 0.307 6.305 1.00 1.00 C ATOM 614 C THR A 104 20.239 -0.505 5.360 1.00 1.00 C ATOM 615 O THR A 104 20.280 -1.732 5.442 1.00 1.00 O ATOM 616 CB THR A 104 20.112 0.907 7.489 1.00 1.00 C ATOM 617 OG1 THR A 104 19.089 1.257 8.417 1.00 1.00 O ATOM 618 CG2 THR A 104 20.774 2.242 7.143 1.00 1.00 C ATOM 0 H THR A 104 18.570 -1.185 7.553 1.00 1.00 H new ATOM 0 HA THR A 104 18.956 1.127 5.705 1.00 1.00 H new ATOM 0 HB THR A 104 20.872 0.202 7.827 1.00 1.00 H new ATOM 0 HG1 THR A 104 19.490 1.440 9.292 1.00 1.00 H new ATOM 0 HG21 THR A 104 21.300 2.624 8.017 1.00 1.00 H new ATOM 0 HG22 THR A 104 21.483 2.096 6.328 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.011 2.958 6.837 1.00 1.00 H new ATOM 626 N LYS A 105 20.928 0.212 4.485 1.00 1.00 N ATOM 627 CA LYS A 105 21.813 -0.426 3.525 1.00 1.00 C ATOM 628 C LYS A 105 22.551 -1.579 4.208 1.00 1.00 C ATOM 629 O LYS A 105 22.774 -2.625 3.600 1.00 1.00 O ATOM 630 CB LYS A 105 22.743 0.606 2.885 1.00 1.00 C ATOM 631 CG LYS A 105 23.579 -0.026 1.770 1.00 1.00 C ATOM 632 CD LYS A 105 23.544 0.833 0.504 1.00 1.00 C ATOM 633 CE LYS A 105 24.737 1.791 0.459 1.00 1.00 C ATOM 634 NZ LYS A 105 24.282 3.173 0.190 1.00 1.00 N ATOM 0 H LYS A 105 20.891 1.229 4.420 1.00 1.00 H new ATOM 0 HA LYS A 105 21.239 -0.855 2.704 1.00 1.00 H new ATOM 0 HB2 LYS A 105 22.155 1.430 2.481 1.00 1.00 H new ATOM 0 HB3 LYS A 105 23.402 1.027 3.644 1.00 1.00 H new ATOM 0 HG2 LYS A 105 24.609 -0.144 2.105 1.00 1.00 H new ATOM 0 HG3 LYS A 105 23.200 -1.024 1.547 1.00 1.00 H new ATOM 0 HD2 LYS A 105 23.555 0.190 -0.376 1.00 1.00 H new ATOM 0 HD3 LYS A 105 22.615 1.402 0.471 1.00 1.00 H new ATOM 0 HE2 LYS A 105 25.274 1.757 1.407 1.00 1.00 H new ATOM 0 HE3 LYS A 105 25.436 1.475 -0.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 25.104 3.810 0.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 23.789 3.204 -0.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 23.633 3.478 0.943 1.00 1.00 H new ATOM 648 N ASN A 106 22.909 -1.350 5.463 1.00 1.00 N ATOM 649 CA ASN A 106 23.617 -2.357 6.235 1.00 1.00 C ATOM 650 C ASN A 106 23.267 -2.198 7.716 1.00 1.00 C ATOM 651 O ASN A 106 24.108 -2.422 8.584 1.00 1.00 O ATOM 652 CB ASN A 106 25.132 -2.199 6.088 1.00 1.00 C ATOM 653 CG ASN A 106 25.494 -1.635 4.713 1.00 1.00 C ATOM 654 OD1 ASN A 106 25.260 -0.477 4.407 1.00 1.00 O ATOM 655 ND2 ASN A 106 26.076 -2.514 3.903 1.00 1.00 N ATOM 0 H ASN A 106 22.722 -0.482 5.964 1.00 1.00 H new ATOM 0 HA ASN A 106 23.319 -3.338 5.864 1.00 1.00 H new ATOM 0 HB2 ASN A 106 25.509 -1.537 6.867 1.00 1.00 H new ATOM 0 HB3 ASN A 106 25.617 -3.165 6.228 1.00 1.00 H new ATOM 0 HD21 ASN A 106 26.355 -2.234 2.963 1.00 1.00 H new ATOM 0 HD22 ASN A 106 26.243 -3.468 4.222 1.00 1.00 H new ATOM 662 N GLY A 107 22.022 -1.813 7.958 1.00 1.00 N ATOM 663 CA GLY A 107 21.550 -1.622 9.319 1.00 1.00 C ATOM 664 C GLY A 107 20.022 -1.671 9.381 1.00 1.00 C ATOM 665 O GLY A 107 19.381 -2.259 8.512 1.00 1.00 O ATOM 0 H GLY A 107 21.327 -1.628 7.235 1.00 1.00 H new ATOM 0 HA2 GLY A 107 21.969 -2.394 9.965 1.00 1.00 H new ATOM 0 HA3 GLY A 107 21.902 -0.663 9.699 1.00 1.00 H new ATOM 669 N GLN A 108 19.483 -1.044 10.417 1.00 1.00 N ATOM 670 CA GLN A 108 18.043 -1.009 10.604 1.00 1.00 C ATOM 671 C GLN A 108 17.636 0.261 11.353 1.00 1.00 C ATOM 672 O GLN A 108 18.490 1.046 11.762 1.00 1.00 O ATOM 673 CB GLN A 108 17.554 -2.260 11.338 1.00 1.00 C ATOM 674 CG GLN A 108 16.632 -3.094 10.446 1.00 1.00 C ATOM 675 CD GLN A 108 16.880 -4.590 10.649 1.00 1.00 C ATOM 676 OE1 GLN A 108 17.747 -5.006 11.401 1.00 1.00 O ATOM 677 NE2 GLN A 108 16.074 -5.373 9.939 1.00 1.00 N ATOM 0 H GLN A 108 20.018 -0.556 11.135 1.00 1.00 H new ATOM 0 HA GLN A 108 17.569 -0.996 9.623 1.00 1.00 H new ATOM 0 HB2 GLN A 108 18.409 -2.862 11.647 1.00 1.00 H new ATOM 0 HB3 GLN A 108 17.024 -1.970 12.245 1.00 1.00 H new ATOM 0 HG2 GLN A 108 15.592 -2.860 10.672 1.00 1.00 H new ATOM 0 HG3 GLN A 108 16.797 -2.833 9.401 1.00 1.00 H new ATOM 0 HE21 GLN A 108 15.369 -4.960 9.328 1.00 1.00 H new ATOM 0 HE22 GLN A 108 16.160 -6.387 10.005 1.00 1.00 H new ATOM 686 N GLY A 109 16.330 0.424 11.511 1.00 1.00 N ATOM 687 CA GLY A 109 15.799 1.585 12.204 1.00 1.00 C ATOM 688 C GLY A 109 14.366 1.882 11.758 1.00 1.00 C ATOM 689 O GLY A 109 13.781 1.120 10.991 1.00 1.00 O ATOM 0 H GLY A 109 15.624 -0.229 11.171 1.00 1.00 H new ATOM 0 HA2 GLY A 109 15.820 1.412 13.280 1.00 1.00 H new ATOM 0 HA3 GLY A 109 16.432 2.451 12.008 1.00 1.00 H new ATOM 693 N TRP A 110 13.842 2.991 12.259 1.00 1.00 N ATOM 694 CA TRP A 110 12.489 3.398 11.922 1.00 1.00 C ATOM 695 C TRP A 110 12.573 4.440 10.805 1.00 1.00 C ATOM 696 O TRP A 110 13.649 4.961 10.517 1.00 1.00 O ATOM 697 CB TRP A 110 11.745 3.907 13.159 1.00 1.00 C ATOM 698 CG TRP A 110 10.984 2.819 13.918 1.00 1.00 C ATOM 699 CD1 TRP A 110 11.445 2.005 14.878 1.00 1.00 C ATOM 700 CD2 TRP A 110 9.598 2.456 13.741 1.00 1.00 C ATOM 701 NE1 TRP A 110 10.463 1.148 15.330 1.00 1.00 N ATOM 702 CE2 TRP A 110 9.304 1.431 14.617 1.00 1.00 C ATOM 703 CE3 TRP A 110 8.625 2.977 12.870 1.00 1.00 C ATOM 704 CZ2 TRP A 110 8.038 0.839 14.707 1.00 1.00 C ATOM 705 CZ3 TRP A 110 7.366 2.375 12.972 1.00 1.00 C ATOM 706 CH2 TRP A 110 7.053 1.342 13.849 1.00 1.00 C ATOM 0 H TRP A 110 14.330 3.620 12.896 1.00 1.00 H new ATOM 0 HA TRP A 110 11.909 2.548 11.563 1.00 1.00 H new ATOM 0 HB2 TRP A 110 12.461 4.374 13.835 1.00 1.00 H new ATOM 0 HB3 TRP A 110 11.042 4.682 12.854 1.00 1.00 H new ATOM 0 HD1 TRP A 110 12.458 2.018 15.251 1.00 1.00 H new ATOM 0 HE1 TRP A 110 10.568 0.437 16.054 1.00 1.00 H new ATOM 0 HE3 TRP A 110 8.833 3.779 12.177 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 7.833 0.037 15.401 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 6.582 2.738 12.324 1.00 1.00 H new ATOM 0 HH2 TRP A 110 6.055 0.930 13.868 1.00 1.00 H new ATOM 717 N VAL A 111 11.423 4.713 10.206 1.00 1.00 N ATOM 718 CA VAL A 111 11.352 5.683 9.127 1.00 1.00 C ATOM 719 C VAL A 111 9.911 6.176 8.983 1.00 1.00 C ATOM 720 O VAL A 111 9.004 5.386 8.726 1.00 1.00 O ATOM 721 CB VAL A 111 11.907 5.073 7.838 1.00 1.00 C ATOM 722 CG1 VAL A 111 10.903 4.101 7.215 1.00 1.00 C ATOM 723 CG2 VAL A 111 12.305 6.164 6.842 1.00 1.00 C ATOM 0 H VAL A 111 10.532 4.279 10.448 1.00 1.00 H new ATOM 0 HA VAL A 111 11.971 6.551 9.353 1.00 1.00 H new ATOM 0 HB VAL A 111 12.804 4.509 8.093 1.00 1.00 H new ATOM 0 HG11 VAL A 111 11.322 3.682 6.300 1.00 1.00 H new ATOM 0 HG12 VAL A 111 10.691 3.296 7.919 1.00 1.00 H new ATOM 0 HG13 VAL A 111 9.980 4.632 6.981 1.00 1.00 H new ATOM 0 HG21 VAL A 111 12.696 5.703 5.935 1.00 1.00 H new ATOM 0 HG22 VAL A 111 11.431 6.767 6.595 1.00 1.00 H new ATOM 0 HG23 VAL A 111 13.071 6.800 7.286 1.00 1.00 H new ATOM 733 N PRO A 112 9.741 7.514 9.160 1.00 1.00 N ATOM 734 CA PRO A 112 8.426 8.121 9.052 1.00 1.00 C ATOM 735 C PRO A 112 7.987 8.224 7.590 1.00 1.00 C ATOM 736 O PRO A 112 8.811 8.445 6.705 1.00 1.00 O ATOM 737 CB PRO A 112 8.562 9.476 9.727 1.00 1.00 C ATOM 738 CG PRO A 112 10.052 9.770 9.775 1.00 1.00 C ATOM 739 CD PRO A 112 10.792 8.479 9.465 1.00 1.00 C ATOM 0 HA PRO A 112 7.648 7.527 9.532 1.00 1.00 H new ATOM 0 HB2 PRO A 112 8.030 10.246 9.168 1.00 1.00 H new ATOM 0 HB3 PRO A 112 8.135 9.457 10.730 1.00 1.00 H new ATOM 0 HG2 PRO A 112 10.312 10.542 9.051 1.00 1.00 H new ATOM 0 HG3 PRO A 112 10.335 10.146 10.758 1.00 1.00 H new ATOM 0 HD2 PRO A 112 11.471 8.605 8.622 1.00 1.00 H new ATOM 0 HD3 PRO A 112 11.394 8.154 10.314 1.00 1.00 H new ATOM 747 N SER A 113 6.689 8.057 7.382 1.00 1.00 N ATOM 748 CA SER A 113 6.130 8.128 6.042 1.00 1.00 C ATOM 749 C SER A 113 6.188 9.567 5.527 1.00 1.00 C ATOM 750 O SER A 113 6.026 9.809 4.332 1.00 1.00 O ATOM 751 CB SER A 113 4.690 7.613 6.018 1.00 1.00 C ATOM 752 OG SER A 113 4.076 7.803 4.746 1.00 1.00 O ATOM 0 H SER A 113 6.008 7.873 8.119 1.00 1.00 H new ATOM 0 HA SER A 113 6.726 7.491 5.388 1.00 1.00 H new ATOM 0 HB2 SER A 113 4.680 6.553 6.271 1.00 1.00 H new ATOM 0 HB3 SER A 113 4.108 8.128 6.782 1.00 1.00 H new ATOM 0 HG SER A 113 4.564 8.491 4.247 1.00 1.00 H new ATOM 758 N ASN A 114 6.420 10.485 6.454 1.00 1.00 N ATOM 759 CA ASN A 114 6.501 11.894 6.108 1.00 1.00 C ATOM 760 C ASN A 114 7.799 12.152 5.340 1.00 1.00 C ATOM 761 O ASN A 114 7.905 13.132 4.605 1.00 1.00 O ATOM 762 CB ASN A 114 6.511 12.769 7.363 1.00 1.00 C ATOM 763 CG ASN A 114 5.424 13.844 7.291 1.00 1.00 C ATOM 764 OD1 ASN A 114 4.275 13.581 6.976 1.00 1.00 O ATOM 765 ND2 ASN A 114 5.850 15.066 7.598 1.00 1.00 N ATOM 0 H ASN A 114 6.554 10.281 7.444 1.00 1.00 H new ATOM 0 HA ASN A 114 5.630 12.144 5.502 1.00 1.00 H new ATOM 0 HB2 ASN A 114 6.355 12.148 8.245 1.00 1.00 H new ATOM 0 HB3 ASN A 114 7.487 13.241 7.474 1.00 1.00 H new ATOM 0 HD21 ASN A 114 5.201 15.852 7.578 1.00 1.00 H new ATOM 0 HD22 ASN A 114 6.826 15.217 7.853 1.00 1.00 H new ATOM 772 N TYR A 115 8.754 11.256 5.538 1.00 1.00 N ATOM 773 CA TYR A 115 10.041 11.374 4.873 1.00 1.00 C ATOM 774 C TYR A 115 10.176 10.342 3.752 1.00 1.00 C ATOM 775 O TYR A 115 11.182 10.317 3.045 1.00 1.00 O ATOM 776 CB TYR A 115 11.096 11.087 5.944 1.00 1.00 C ATOM 777 CG TYR A 115 11.326 12.246 6.917 1.00 1.00 C ATOM 778 CD1 TYR A 115 10.361 12.565 7.850 1.00 1.00 C ATOM 779 CD2 TYR A 115 12.499 12.971 6.861 1.00 1.00 C ATOM 780 CE1 TYR A 115 10.578 13.655 8.766 1.00 1.00 C ATOM 781 CE2 TYR A 115 12.716 14.061 7.777 1.00 1.00 C ATOM 782 CZ TYR A 115 11.745 14.349 8.684 1.00 1.00 C ATOM 783 OH TYR A 115 11.949 15.378 9.549 1.00 1.00 O ATOM 0 H TYR A 115 8.663 10.445 6.150 1.00 1.00 H new ATOM 0 HA TYR A 115 10.154 12.363 4.428 1.00 1.00 H new ATOM 0 HB2 TYR A 115 10.794 10.206 6.510 1.00 1.00 H new ATOM 0 HB3 TYR A 115 12.039 10.844 5.455 1.00 1.00 H new ATOM 0 HD1 TYR A 115 9.443 11.998 7.893 1.00 1.00 H new ATOM 0 HD2 TYR A 115 13.254 12.721 6.130 1.00 1.00 H new ATOM 0 HE1 TYR A 115 9.831 13.915 9.501 1.00 1.00 H new ATOM 0 HE2 TYR A 115 13.629 14.637 7.744 1.00 1.00 H new ATOM 0 HH TYR A 115 12.825 15.782 9.376 1.00 1.00 H new ATOM 793 N ILE A 116 9.148 9.517 3.624 1.00 1.00 N ATOM 794 CA ILE A 116 9.139 8.486 2.600 1.00 1.00 C ATOM 795 C ILE A 116 7.880 8.635 1.743 1.00 1.00 C ATOM 796 O ILE A 116 6.810 8.958 2.256 1.00 1.00 O ATOM 797 CB ILE A 116 9.291 7.101 3.233 1.00 1.00 C ATOM 798 CG1 ILE A 116 10.345 7.118 4.342 1.00 1.00 C ATOM 799 CG2 ILE A 116 9.594 6.043 2.170 1.00 1.00 C ATOM 800 CD1 ILE A 116 11.751 7.277 3.760 1.00 1.00 C ATOM 0 H ILE A 116 8.315 9.541 4.212 1.00 1.00 H new ATOM 0 HA ILE A 116 9.994 8.603 1.934 1.00 1.00 H new ATOM 0 HB ILE A 116 8.342 6.830 3.695 1.00 1.00 H new ATOM 0 HG12 ILE A 116 10.139 7.936 5.032 1.00 1.00 H new ATOM 0 HG13 ILE A 116 10.288 6.194 4.917 1.00 1.00 H new ATOM 0 HG21 ILE A 116 9.697 5.068 2.646 1.00 1.00 H new ATOM 0 HG22 ILE A 116 8.779 6.009 1.447 1.00 1.00 H new ATOM 0 HG23 ILE A 116 10.522 6.297 1.658 1.00 1.00 H new ATOM 0 HD11 ILE A 116 12.481 7.286 4.569 1.00 1.00 H new ATOM 0 HD12 ILE A 116 11.963 6.445 3.089 1.00 1.00 H new ATOM 0 HD13 ILE A 116 11.812 8.214 3.206 1.00 1.00 H new ATOM 812 N THR A 117 8.051 8.393 0.451 1.00 1.00 N ATOM 813 CA THR A 117 6.942 8.497 -0.482 1.00 1.00 C ATOM 814 C THR A 117 6.759 7.181 -1.240 1.00 1.00 C ATOM 815 O THR A 117 7.681 6.370 -1.317 1.00 1.00 O ATOM 816 CB THR A 117 7.205 9.694 -1.398 1.00 1.00 C ATOM 817 OG1 THR A 117 6.740 9.264 -2.674 1.00 1.00 O ATOM 818 CG2 THR A 117 8.698 9.949 -1.613 1.00 1.00 C ATOM 0 H THR A 117 8.940 8.125 0.029 1.00 1.00 H new ATOM 0 HA THR A 117 6.001 8.670 0.040 1.00 1.00 H new ATOM 0 HB THR A 117 6.741 10.584 -0.973 1.00 1.00 H new ATOM 0 HG1 THR A 117 6.872 9.981 -3.329 1.00 1.00 H new ATOM 0 HG21 THR A 117 8.829 10.809 -2.270 1.00 1.00 H new ATOM 0 HG22 THR A 117 9.175 10.149 -0.654 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.155 9.071 -2.069 1.00 1.00 H new ATOM 826 N PRO A 118 5.530 7.004 -1.796 1.00 1.00 N ATOM 827 CA PRO A 118 5.214 5.800 -2.545 1.00 1.00 C ATOM 828 C PRO A 118 5.873 5.824 -3.926 1.00 1.00 C ATOM 829 O PRO A 118 6.419 6.846 -4.339 1.00 1.00 O ATOM 830 CB PRO A 118 3.695 5.766 -2.613 1.00 1.00 C ATOM 831 CG PRO A 118 3.233 7.181 -2.306 1.00 1.00 C ATOM 832 CD PRO A 118 4.414 7.942 -1.726 1.00 1.00 C ATOM 0 HA PRO A 118 5.599 4.897 -2.071 1.00 1.00 H new ATOM 0 HB2 PRO A 118 3.355 5.449 -3.599 1.00 1.00 H new ATOM 0 HB3 PRO A 118 3.287 5.057 -1.892 1.00 1.00 H new ATOM 0 HG2 PRO A 118 2.872 7.669 -3.211 1.00 1.00 H new ATOM 0 HG3 PRO A 118 2.404 7.167 -1.599 1.00 1.00 H new ATOM 0 HD2 PRO A 118 4.621 8.847 -2.297 1.00 1.00 H new ATOM 0 HD3 PRO A 118 4.220 8.251 -0.699 1.00 1.00 H new ATOM 840 N VAL A 119 5.799 4.687 -4.602 1.00 1.00 N ATOM 841 CA VAL A 119 6.382 4.565 -5.927 1.00 1.00 C ATOM 842 C VAL A 119 5.398 5.110 -6.964 1.00 1.00 C ATOM 843 O VAL A 119 5.649 5.029 -8.166 1.00 1.00 O ATOM 844 CB VAL A 119 6.784 3.112 -6.190 1.00 1.00 C ATOM 845 CG1 VAL A 119 7.301 2.937 -7.620 1.00 1.00 C ATOM 846 CG2 VAL A 119 7.820 2.637 -5.170 1.00 1.00 C ATOM 0 H VAL A 119 5.344 3.842 -4.257 1.00 1.00 H new ATOM 0 HA VAL A 119 7.293 5.159 -6.000 1.00 1.00 H new ATOM 0 HB VAL A 119 5.895 2.492 -6.077 1.00 1.00 H new ATOM 0 HG11 VAL A 119 7.580 1.896 -7.781 1.00 1.00 H new ATOM 0 HG12 VAL A 119 6.519 3.217 -8.326 1.00 1.00 H new ATOM 0 HG13 VAL A 119 8.172 3.574 -7.772 1.00 1.00 H new ATOM 0 HG21 VAL A 119 8.089 1.602 -5.379 1.00 1.00 H new ATOM 0 HG22 VAL A 119 8.710 3.263 -5.236 1.00 1.00 H new ATOM 0 HG23 VAL A 119 7.401 2.707 -4.166 1.00 1.00 H new ATOM 856 N SER A 120 4.299 5.654 -6.462 1.00 1.00 N ATOM 857 CA SER A 120 3.276 6.212 -7.330 1.00 1.00 C ATOM 858 C SER A 120 2.629 7.427 -6.662 1.00 1.00 C ATOM 859 O SER A 120 3.263 8.504 -6.707 1.00 1.00 O ATOM 860 CB SER A 120 2.213 5.166 -7.673 1.00 1.00 C ATOM 861 OG SER A 120 1.762 4.465 -6.517 1.00 1.00 O ATOM 862 OXT SER A 120 1.534 7.328 -6.111 1.00 1.00 O ATOM 0 H SER A 120 4.095 5.720 -5.465 1.00 1.00 H new ATOM 0 HA SER A 120 3.751 6.526 -8.260 1.00 1.00 H new ATOM 0 HB2 SER A 120 1.366 5.654 -8.154 1.00 1.00 H new ATOM 0 HB3 SER A 120 2.622 4.456 -8.391 1.00 1.00 H new ATOM 0 HG SER A 120 1.489 5.108 -5.830 1.00 1.00 H new