USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 658 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -5.03! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00403 USER MOD Single : A 24 THR OG1 : rot 39:sc= 0.0417 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -77:sc= 0.0978 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -120:sc= -1.69 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -98:sc= -1.58! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 64 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.16) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 69 TYR OH : rot 61:sc= 0.463 USER MOD Single : A 73 TYR OH : rot -159:sc= 0.446 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -120:sc= 0.122 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -18:sc= 1.18 USER MOD Single : A 84 TYR OH : rot 0:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -140:sc= -0.906 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -58:sc= 0.463 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -8.911 -18.462 -6.033 1.00 0.00 N ATOM 88 CA ASP A 10 -9.520 -17.438 -6.873 1.00 0.00 C ATOM 89 C ASP A 10 -9.422 -16.066 -6.215 1.00 0.00 C ATOM 90 O ASP A 10 -9.608 -15.932 -5.006 1.00 0.00 O ATOM 91 CB ASP A 10 -10.985 -17.780 -7.152 1.00 0.00 C ATOM 92 CG ASP A 10 -11.148 -19.138 -7.806 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.923 -19.238 -9.029 1.00 0.00 O ATOM 94 OD2 ASP A 10 -11.503 -20.101 -7.093 1.00 0.00 O ATOM 0 HA ASP A 10 -8.976 -17.408 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.544 -17.761 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.417 -17.015 -7.797 1.00 0.00 H new ATOM 99 N ALA A 11 -9.128 -15.048 -7.019 1.00 0.00 N ATOM 100 CA ALA A 11 -9.005 -13.687 -6.515 1.00 0.00 C ATOM 101 C ALA A 11 -10.355 -12.977 -6.519 1.00 0.00 C ATOM 102 O ALA A 11 -10.738 -12.346 -5.534 1.00 0.00 O ATOM 103 CB ALA A 11 -7.993 -12.907 -7.341 1.00 0.00 C ATOM 0 H ALA A 11 -8.971 -15.142 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.653 -13.738 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.912 -11.892 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.021 -13.397 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.320 -12.873 -8.380 1.00 0.00 H new ATOM 109 N SER A 12 -11.070 -13.082 -7.634 1.00 0.00 N ATOM 110 CA SER A 12 -12.375 -12.445 -7.768 1.00 0.00 C ATOM 111 C SER A 12 -13.232 -12.699 -6.531 1.00 0.00 C ATOM 112 O SER A 12 -14.176 -11.959 -6.253 1.00 0.00 O ATOM 113 CB SER A 12 -13.094 -12.964 -9.015 1.00 0.00 C ATOM 114 OG SER A 12 -13.271 -14.368 -8.955 1.00 0.00 O ATOM 0 H SER A 12 -10.768 -13.602 -8.458 1.00 0.00 H new ATOM 0 HA SER A 12 -12.219 -11.371 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.064 -12.476 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.519 -12.705 -9.904 1.00 0.00 H new ATOM 0 HG SER A 12 -13.734 -14.674 -9.763 1.00 0.00 H new ATOM 120 N LYS A 13 -12.897 -13.751 -5.792 1.00 0.00 N ATOM 121 CA LYS A 13 -13.634 -14.104 -4.584 1.00 0.00 C ATOM 122 C LYS A 13 -13.035 -13.416 -3.362 1.00 0.00 C ATOM 123 O LYS A 13 -13.757 -13.008 -2.451 1.00 0.00 O ATOM 124 CB LYS A 13 -13.628 -15.621 -4.383 1.00 0.00 C ATOM 125 CG LYS A 13 -14.226 -16.390 -5.548 1.00 0.00 C ATOM 126 CD LYS A 13 -15.742 -16.282 -5.569 1.00 0.00 C ATOM 127 CE LYS A 13 -16.344 -17.098 -6.703 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.784 -17.393 -6.470 1.00 0.00 N ATOM 0 H LYS A 13 -12.119 -14.375 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.663 -13.764 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.602 -15.954 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.183 -15.861 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.820 -16.007 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.936 -17.439 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.145 -16.627 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.032 -15.237 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.232 -16.554 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.794 -18.033 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.157 -17.950 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.889 -17.934 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.313 -16.501 -6.394 1.00 0.00 H new ATOM 142 N CYS A 14 -11.712 -13.290 -3.348 1.00 0.00 N ATOM 143 CA CYS A 14 -11.017 -12.651 -2.237 1.00 0.00 C ATOM 144 C CYS A 14 -11.594 -11.267 -1.958 1.00 0.00 C ATOM 145 O CYS A 14 -12.060 -10.581 -2.869 1.00 0.00 O ATOM 146 CB CYS A 14 -9.521 -12.542 -2.540 1.00 0.00 C ATOM 147 SG CYS A 14 -8.467 -12.568 -1.071 1.00 0.00 S ATOM 0 H CYS A 14 -11.100 -13.622 -4.093 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.157 -13.268 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.233 -13.364 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.339 -11.618 -3.089 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.221 -12.473 -1.429 1.00 0.00 H new ATOM 153 N LEU A 15 -11.562 -10.863 -0.693 1.00 0.00 N ATOM 154 CA LEU A 15 -12.083 -9.560 -0.293 1.00 0.00 C ATOM 155 C LEU A 15 -10.961 -8.652 0.199 1.00 0.00 C ATOM 156 O LEU A 15 -10.114 -9.067 0.989 1.00 0.00 O ATOM 157 CB LEU A 15 -13.138 -9.726 0.803 1.00 0.00 C ATOM 158 CG LEU A 15 -14.580 -9.896 0.327 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.051 -8.649 -0.405 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.705 -11.121 -0.568 1.00 0.00 C ATOM 0 H LEU A 15 -11.181 -11.418 0.073 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.543 -9.097 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.872 -10.593 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.093 -8.855 1.457 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.216 -10.042 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.080 -8.789 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.999 -7.792 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.412 -8.472 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.739 -11.227 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.057 -11.005 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.409 -12.010 -0.011 1.00 0.00 H new ATOM 172 N ALA A 16 -10.963 -7.409 -0.273 1.00 0.00 N ATOM 173 CA ALA A 16 -9.947 -6.441 0.122 1.00 0.00 C ATOM 174 C ALA A 16 -10.567 -5.276 0.887 1.00 0.00 C ATOM 175 O ALA A 16 -11.290 -4.459 0.316 1.00 0.00 O ATOM 176 CB ALA A 16 -9.199 -5.933 -1.101 1.00 0.00 C ATOM 0 H ALA A 16 -11.656 -7.049 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.241 -6.942 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.443 -5.211 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.716 -6.770 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.901 -5.454 -1.784 1.00 0.00 H new ATOM 182 N THR A 17 -10.281 -5.207 2.183 1.00 0.00 N ATOM 183 CA THR A 17 -10.812 -4.144 3.027 1.00 0.00 C ATOM 184 C THR A 17 -9.701 -3.461 3.816 1.00 0.00 C ATOM 185 O THR A 17 -8.675 -4.070 4.116 1.00 0.00 O ATOM 186 CB THR A 17 -11.869 -4.682 4.010 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.273 -5.635 4.897 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.024 -5.330 3.262 1.00 0.00 C ATOM 0 H THR A 17 -9.684 -5.875 2.671 1.00 0.00 H new ATOM 0 HA THR A 17 -11.281 -3.418 2.363 1.00 0.00 H new ATOM 0 HB THR A 17 -12.257 -3.843 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.951 -5.971 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.757 -5.702 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.494 -4.594 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.649 -6.159 2.662 1.00 0.00 H new ATOM 196 N GLY A 18 -9.913 -2.192 4.150 1.00 0.00 N ATOM 197 CA GLY A 18 -8.920 -1.447 4.902 1.00 0.00 C ATOM 198 C GLY A 18 -8.877 0.018 4.514 1.00 0.00 C ATOM 199 O GLY A 18 -9.240 0.399 3.402 1.00 0.00 O ATOM 0 H GLY A 18 -10.755 -1.666 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.137 -1.531 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.938 -1.891 4.740 1.00 0.00 H new ATOM 203 N PRO A 19 -8.425 0.868 5.448 1.00 0.00 N ATOM 204 CA PRO A 19 -8.327 2.313 5.223 1.00 0.00 C ATOM 205 C PRO A 19 -7.229 2.670 4.226 1.00 0.00 C ATOM 206 O PRO A 19 -7.211 3.770 3.676 1.00 0.00 O ATOM 207 CB PRO A 19 -7.992 2.867 6.609 1.00 0.00 C ATOM 208 CG PRO A 19 -7.328 1.738 7.318 1.00 0.00 C ATOM 209 CD PRO A 19 -7.975 0.484 6.797 1.00 0.00 C ATOM 0 HA PRO A 19 -9.243 2.722 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.334 3.733 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.891 3.190 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.255 1.733 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.457 1.825 8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.271 -0.348 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.809 0.171 7.425 1.00 0.00 H new ATOM 217 N GLY A 20 -6.315 1.732 3.998 1.00 0.00 N ATOM 218 CA GLY A 20 -5.227 1.968 3.068 1.00 0.00 C ATOM 219 C GLY A 20 -5.674 1.894 1.622 1.00 0.00 C ATOM 220 O GLY A 20 -5.158 2.617 0.767 1.00 0.00 O ATOM 0 H GLY A 20 -6.309 0.813 4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.794 2.950 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.440 1.233 3.240 1.00 0.00 H new ATOM 224 N ILE A 21 -6.633 1.018 1.344 1.00 0.00 N ATOM 225 CA ILE A 21 -7.149 0.852 -0.009 1.00 0.00 C ATOM 226 C ILE A 21 -8.386 1.715 -0.236 1.00 0.00 C ATOM 227 O ILE A 21 -9.152 1.486 -1.171 1.00 0.00 O ATOM 228 CB ILE A 21 -7.502 -0.619 -0.300 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.632 -1.086 0.618 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.275 -1.502 -0.131 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.138 -2.475 0.296 1.00 0.00 C ATOM 0 H ILE A 21 -7.069 0.411 2.039 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.359 1.169 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.842 -0.698 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.282 -1.066 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.461 -0.381 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.541 -2.538 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.497 -1.180 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.907 -1.421 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.938 -2.740 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.519 -2.496 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.322 -3.191 0.394 1.00 0.00 H new ATOM 243 N ALA A 22 -8.574 2.708 0.627 1.00 0.00 N ATOM 244 CA ALA A 22 -9.715 3.609 0.519 1.00 0.00 C ATOM 245 C ALA A 22 -9.578 4.525 -0.692 1.00 0.00 C ATOM 246 O ALA A 22 -8.489 5.013 -0.993 1.00 0.00 O ATOM 247 CB ALA A 22 -9.862 4.429 1.791 1.00 0.00 C ATOM 0 H ALA A 22 -7.951 2.909 1.409 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.612 3.005 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.718 5.097 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.015 3.761 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.958 5.017 1.951 1.00 0.00 H new ATOM 253 N SER A 23 -10.690 4.754 -1.384 1.00 0.00 N ATOM 254 CA SER A 23 -10.693 5.608 -2.565 1.00 0.00 C ATOM 255 C SER A 23 -9.819 6.839 -2.347 1.00 0.00 C ATOM 256 O SER A 23 -9.097 7.272 -3.248 1.00 0.00 O ATOM 257 CB SER A 23 -12.122 6.038 -2.906 1.00 0.00 C ATOM 258 OG SER A 23 -12.674 6.838 -1.876 1.00 0.00 O ATOM 0 H SER A 23 -11.600 4.360 -1.147 1.00 0.00 H new ATOM 0 HA SER A 23 -10.284 5.036 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.124 6.595 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.744 5.156 -3.058 1.00 0.00 H new ATOM 0 HG SER A 23 -13.586 7.101 -2.119 1.00 0.00 H new ATOM 264 N THR A 24 -9.888 7.402 -1.145 1.00 0.00 N ATOM 265 CA THR A 24 -9.105 8.584 -0.807 1.00 0.00 C ATOM 266 C THR A 24 -8.489 8.457 0.582 1.00 0.00 C ATOM 267 O THR A 24 -9.167 8.089 1.541 1.00 0.00 O ATOM 268 CB THR A 24 -9.964 9.861 -0.861 1.00 0.00 C ATOM 269 OG1 THR A 24 -11.060 9.753 0.055 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.493 10.099 -2.266 1.00 0.00 C ATOM 0 H THR A 24 -10.479 7.058 -0.388 1.00 0.00 H new ATOM 0 HA THR A 24 -8.309 8.659 -1.548 1.00 0.00 H new ATOM 0 HB THR A 24 -9.336 10.706 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.758 9.312 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.097 11.006 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.656 10.210 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.106 9.251 -2.572 1.00 0.00 H new ATOM 278 N VAL A 25 -7.200 8.764 0.683 1.00 0.00 N ATOM 279 CA VAL A 25 -6.493 8.686 1.955 1.00 0.00 C ATOM 280 C VAL A 25 -5.728 9.975 2.239 1.00 0.00 C ATOM 281 O VAL A 25 -5.646 10.861 1.390 1.00 0.00 O ATOM 282 CB VAL A 25 -5.507 7.503 1.979 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.251 6.185 1.823 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.457 7.663 0.890 1.00 0.00 C ATOM 0 H VAL A 25 -6.624 9.069 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.248 8.536 2.727 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.999 7.495 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.538 5.360 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.962 6.069 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.787 6.180 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.769 6.818 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.945 7.697 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.904 8.588 1.051 1.00 0.00 H new ATOM 294 N LYS A 26 -5.170 10.072 3.442 1.00 0.00 N ATOM 295 CA LYS A 26 -4.411 11.251 3.840 1.00 0.00 C ATOM 296 C LYS A 26 -2.914 10.958 3.846 1.00 0.00 C ATOM 297 O LYS A 26 -2.478 9.908 4.320 1.00 0.00 O ATOM 298 CB LYS A 26 -4.854 11.725 5.225 1.00 0.00 C ATOM 299 CG LYS A 26 -6.060 12.649 5.196 1.00 0.00 C ATOM 300 CD LYS A 26 -7.363 11.865 5.201 1.00 0.00 C ATOM 301 CE LYS A 26 -8.511 12.698 5.748 1.00 0.00 C ATOM 302 NZ LYS A 26 -9.831 12.061 5.489 1.00 0.00 N ATOM 0 H LYS A 26 -5.230 9.348 4.158 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.606 12.040 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.088 10.856 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.023 12.241 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.031 13.314 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.016 13.278 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.598 11.541 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.245 10.965 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.379 12.837 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.490 13.688 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.588 12.660 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.968 11.951 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.861 11.127 5.945 1.00 0.00 H new ATOM 316 N THR A 27 -2.130 11.893 3.318 1.00 0.00 N ATOM 317 CA THR A 27 -0.682 11.734 3.263 1.00 0.00 C ATOM 318 C THR A 27 -0.063 11.853 4.651 1.00 0.00 C ATOM 319 O THR A 27 -0.660 12.429 5.560 1.00 0.00 O ATOM 320 CB THR A 27 -0.037 12.781 2.335 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.373 14.101 2.776 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.499 12.588 0.898 1.00 0.00 C ATOM 0 H THR A 27 -2.474 12.768 2.922 1.00 0.00 H new ATOM 0 HA THR A 27 -0.488 10.738 2.865 1.00 0.00 H new ATOM 0 HB THR A 27 1.044 12.650 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.292 14.311 2.508 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.031 13.339 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.215 11.593 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.583 12.694 0.847 1.00 0.00 H new ATOM 330 N GLY A 28 1.138 11.303 4.807 1.00 0.00 N ATOM 331 CA GLY A 28 1.818 11.359 6.089 1.00 0.00 C ATOM 332 C GLY A 28 1.356 10.270 7.037 1.00 0.00 C ATOM 333 O GLY A 28 2.155 9.722 7.796 1.00 0.00 O ATOM 0 H GLY A 28 1.652 10.820 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.893 11.268 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.645 12.333 6.547 1.00 0.00 H new ATOM 337 N GLU A 29 0.065 9.958 6.995 1.00 0.00 N ATOM 338 CA GLU A 29 -0.501 8.930 7.860 1.00 0.00 C ATOM 339 C GLU A 29 -0.224 7.537 7.302 1.00 0.00 C ATOM 340 O GLU A 29 -0.196 7.338 6.089 1.00 0.00 O ATOM 341 CB GLU A 29 -2.008 9.137 8.018 1.00 0.00 C ATOM 342 CG GLU A 29 -2.372 10.231 9.009 1.00 0.00 C ATOM 343 CD GLU A 29 -2.419 9.731 10.439 1.00 0.00 C ATOM 344 OE1 GLU A 29 -3.223 8.818 10.723 1.00 0.00 O ATOM 345 OE2 GLU A 29 -1.652 10.252 11.276 1.00 0.00 O ATOM 0 H GLU A 29 -0.609 10.402 6.371 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.026 9.013 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.436 9.382 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.463 8.200 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.645 11.040 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.343 10.649 8.742 1.00 0.00 H new ATOM 352 N GLU A 30 -0.017 6.577 8.199 1.00 0.00 N ATOM 353 CA GLU A 30 0.259 5.203 7.796 1.00 0.00 C ATOM 354 C GLU A 30 -1.013 4.360 7.829 1.00 0.00 C ATOM 355 O GLU A 30 -1.600 4.142 8.889 1.00 0.00 O ATOM 356 CB GLU A 30 1.318 4.584 8.710 1.00 0.00 C ATOM 357 CG GLU A 30 1.805 3.222 8.242 1.00 0.00 C ATOM 358 CD GLU A 30 3.035 2.753 8.994 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.162 3.089 10.191 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.869 2.048 8.389 1.00 0.00 O ATOM 0 H GLU A 30 -0.035 6.726 9.208 1.00 0.00 H new ATOM 0 HA GLU A 30 0.636 5.220 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.169 5.262 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.907 4.488 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.006 2.491 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.030 3.267 7.176 1.00 0.00 H new ATOM 367 N VAL A 31 -1.433 3.888 6.660 1.00 0.00 N ATOM 368 CA VAL A 31 -2.634 3.068 6.554 1.00 0.00 C ATOM 369 C VAL A 31 -2.315 1.593 6.771 1.00 0.00 C ATOM 370 O VAL A 31 -1.150 1.203 6.833 1.00 0.00 O ATOM 371 CB VAL A 31 -3.311 3.239 5.181 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.736 4.684 4.970 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.380 2.781 4.068 1.00 0.00 C ATOM 0 H VAL A 31 -0.960 4.059 5.773 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.317 3.407 7.333 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.205 2.616 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.212 4.784 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.441 4.973 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.860 5.331 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.874 2.909 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.467 3.376 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.131 1.730 4.212 1.00 0.00 H new ATOM 383 N GLY A 32 -3.358 0.778 6.886 1.00 0.00 N ATOM 384 CA GLY A 32 -3.167 -0.645 7.095 1.00 0.00 C ATOM 385 C GLY A 32 -4.392 -1.456 6.716 1.00 0.00 C ATOM 386 O GLY A 32 -5.352 -1.539 7.481 1.00 0.00 O ATOM 0 H GLY A 32 -4.332 1.077 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.314 -0.984 6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.925 -0.826 8.142 1.00 0.00 H new ATOM 390 N PHE A 33 -4.357 -2.056 5.531 1.00 0.00 N ATOM 391 CA PHE A 33 -5.473 -2.863 5.050 1.00 0.00 C ATOM 392 C PHE A 33 -5.145 -4.350 5.134 1.00 0.00 C ATOM 393 O PHE A 33 -3.980 -4.745 5.092 1.00 0.00 O ATOM 394 CB PHE A 33 -5.819 -2.485 3.608 1.00 0.00 C ATOM 395 CG PHE A 33 -4.679 -2.675 2.650 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.662 -1.738 2.569 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.624 -3.789 1.828 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.609 -1.908 1.688 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.576 -3.966 0.946 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.568 -3.024 0.875 1.00 0.00 C ATOM 0 H PHE A 33 -3.569 -1.999 4.886 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.335 -2.663 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.666 -3.086 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.137 -1.443 3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.692 -0.863 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.410 -4.528 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.822 -1.171 1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.545 -4.840 0.312 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.749 -3.160 0.185 1.00 0.00 H new ATOM 410 N VAL A 34 -6.183 -5.173 5.255 1.00 0.00 N ATOM 411 CA VAL A 34 -6.007 -6.618 5.344 1.00 0.00 C ATOM 412 C VAL A 34 -6.888 -7.343 4.334 1.00 0.00 C ATOM 413 O VAL A 34 -8.077 -7.048 4.206 1.00 0.00 O ATOM 414 CB VAL A 34 -6.330 -7.136 6.758 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.787 -6.867 7.104 1.00 0.00 C ATOM 416 CG2 VAL A 34 -6.013 -8.621 6.866 1.00 0.00 C ATOM 0 H VAL A 34 -7.154 -4.863 5.294 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.960 -6.824 5.120 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.706 -6.602 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.998 -7.240 8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.977 -5.794 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.431 -7.374 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.247 -8.971 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.610 -9.174 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.954 -8.783 6.663 1.00 0.00 H new ATOM 426 N VAL A 35 -6.299 -8.294 3.617 1.00 0.00 N ATOM 427 CA VAL A 35 -7.031 -9.064 2.618 1.00 0.00 C ATOM 428 C VAL A 35 -7.692 -10.287 3.243 1.00 0.00 C ATOM 429 O VAL A 35 -7.014 -11.181 3.749 1.00 0.00 O ATOM 430 CB VAL A 35 -6.107 -9.522 1.474 1.00 0.00 C ATOM 431 CG1 VAL A 35 -6.877 -10.367 0.471 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.468 -8.321 0.792 1.00 0.00 C ATOM 0 H VAL A 35 -5.316 -8.550 3.709 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.800 -8.406 2.213 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.312 -10.137 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.208 -10.681 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.282 -11.247 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.694 -9.780 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.818 -8.663 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.247 -7.678 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.880 -7.760 1.519 1.00 0.00 H new ATOM 442 N ASP A 36 -9.020 -10.319 3.204 1.00 0.00 N ATOM 443 CA ASP A 36 -9.774 -11.434 3.765 1.00 0.00 C ATOM 444 C ASP A 36 -10.349 -12.313 2.659 1.00 0.00 C ATOM 445 O ASP A 36 -11.023 -11.825 1.752 1.00 0.00 O ATOM 446 CB ASP A 36 -10.902 -10.916 4.660 1.00 0.00 C ATOM 447 CG ASP A 36 -11.254 -11.889 5.768 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.012 -13.101 5.593 1.00 0.00 O ATOM 449 OD2 ASP A 36 -11.774 -11.437 6.811 1.00 0.00 O ATOM 0 H ASP A 36 -9.596 -9.586 2.790 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.092 -12.036 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.606 -9.963 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.787 -10.727 4.052 1.00 0.00 H new ATOM 454 N ALA A 37 -10.077 -13.612 2.740 1.00 0.00 N ATOM 455 CA ALA A 37 -10.568 -14.558 1.747 1.00 0.00 C ATOM 456 C ALA A 37 -11.399 -15.657 2.400 1.00 0.00 C ATOM 457 O ALA A 37 -10.947 -16.322 3.332 1.00 0.00 O ATOM 458 CB ALA A 37 -9.405 -15.161 0.973 1.00 0.00 C ATOM 0 H ALA A 37 -9.519 -14.032 3.483 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.211 -14.018 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.786 -15.866 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.854 -14.368 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.740 -15.682 1.662 1.00 0.00 H new ATOM 464 N LYS A 38 -12.618 -15.845 1.904 1.00 0.00 N ATOM 465 CA LYS A 38 -13.513 -16.863 2.439 1.00 0.00 C ATOM 466 C LYS A 38 -13.478 -18.124 1.580 1.00 0.00 C ATOM 467 O LYS A 38 -12.961 -19.160 1.999 1.00 0.00 O ATOM 468 CB LYS A 38 -14.944 -16.326 2.515 1.00 0.00 C ATOM 469 CG LYS A 38 -15.042 -14.944 3.136 1.00 0.00 C ATOM 470 CD LYS A 38 -15.238 -15.021 4.641 1.00 0.00 C ATOM 471 CE LYS A 38 -15.524 -13.651 5.237 1.00 0.00 C ATOM 472 NZ LYS A 38 -15.594 -13.697 6.724 1.00 0.00 N ATOM 0 H LYS A 38 -13.008 -15.305 1.132 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.173 -17.118 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.365 -16.294 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.553 -17.020 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.136 -14.380 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.874 -14.401 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.063 -15.697 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.345 -15.441 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.745 -12.952 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.466 -13.272 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.790 -12.744 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.354 -14.344 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.687 -14.035 7.104 1.00 0.00 H new ATOM 486 N THR A 39 -14.029 -18.028 0.374 1.00 0.00 N ATOM 487 CA THR A 39 -14.059 -19.160 -0.545 1.00 0.00 C ATOM 488 C THR A 39 -12.809 -19.194 -1.417 1.00 0.00 C ATOM 489 O THR A 39 -12.441 -20.241 -1.948 1.00 0.00 O ATOM 490 CB THR A 39 -15.303 -19.114 -1.452 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.158 -18.079 -2.430 1.00 0.00 O ATOM 492 CG2 THR A 39 -16.561 -18.871 -0.632 1.00 0.00 C ATOM 0 H THR A 39 -14.461 -17.178 0.011 1.00 0.00 H new ATOM 0 HA THR A 39 -14.097 -20.062 0.066 1.00 0.00 H new ATOM 0 HB THR A 39 -15.396 -20.077 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.952 -18.057 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.427 -18.842 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.684 -19.676 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.475 -17.920 -0.106 1.00 0.00 H new ATOM 500 N ALA A 40 -12.161 -18.043 -1.559 1.00 0.00 N ATOM 501 CA ALA A 40 -10.951 -17.942 -2.366 1.00 0.00 C ATOM 502 C ALA A 40 -10.098 -19.200 -2.236 1.00 0.00 C ATOM 503 O ALA A 40 -9.706 -19.802 -3.234 1.00 0.00 O ATOM 504 CB ALA A 40 -10.148 -16.714 -1.962 1.00 0.00 C ATOM 0 H ALA A 40 -12.453 -17.167 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.248 -17.842 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.247 -16.651 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.752 -15.819 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.869 -16.791 -0.911 1.00 0.00 H new ATOM 510 N GLY A 41 -9.814 -19.592 -0.996 1.00 0.00 N ATOM 511 CA GLY A 41 -9.009 -20.775 -0.759 1.00 0.00 C ATOM 512 C GLY A 41 -7.594 -20.438 -0.332 1.00 0.00 C ATOM 513 O GLY A 41 -7.387 -19.684 0.618 1.00 0.00 O ATOM 0 H GLY A 41 -10.127 -19.111 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.482 -21.384 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.977 -21.377 -1.667 1.00 0.00 H new ATOM 517 N LYS A 42 -6.617 -20.999 -1.035 1.00 0.00 N ATOM 518 CA LYS A 42 -5.214 -20.756 -0.725 1.00 0.00 C ATOM 519 C LYS A 42 -4.566 -19.875 -1.788 1.00 0.00 C ATOM 520 O LYS A 42 -5.088 -19.734 -2.894 1.00 0.00 O ATOM 521 CB LYS A 42 -4.456 -22.081 -0.616 1.00 0.00 C ATOM 522 CG LYS A 42 -3.007 -21.920 -0.188 1.00 0.00 C ATOM 523 CD LYS A 42 -2.490 -23.169 0.507 1.00 0.00 C ATOM 524 CE LYS A 42 -0.988 -23.329 0.319 1.00 0.00 C ATOM 525 NZ LYS A 42 -0.521 -24.685 0.718 1.00 0.00 N ATOM 0 H LYS A 42 -6.771 -21.626 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.165 -20.237 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.968 -22.725 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.487 -22.588 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.390 -21.706 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.917 -21.065 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.721 -23.117 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.003 -24.046 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.731 -23.149 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.466 -22.577 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.507 -24.754 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.743 -24.847 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.000 -25.402 0.137 1.00 0.00 H new ATOM 539 N GLY A 43 -3.425 -19.283 -1.448 1.00 0.00 N ATOM 540 CA GLY A 43 -2.725 -18.424 -2.384 1.00 0.00 C ATOM 541 C GLY A 43 -1.898 -17.360 -1.689 1.00 0.00 C ATOM 542 O GLY A 43 -2.057 -17.122 -0.492 1.00 0.00 O ATOM 0 H GLY A 43 -2.973 -19.384 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.075 -19.032 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.449 -17.944 -3.043 1.00 0.00 H new ATOM 546 N LYS A 44 -1.011 -16.718 -2.442 1.00 0.00 N ATOM 547 CA LYS A 44 -0.154 -15.675 -1.892 1.00 0.00 C ATOM 548 C LYS A 44 -0.603 -14.296 -2.366 1.00 0.00 C ATOM 549 O LYS A 44 -0.722 -14.050 -3.567 1.00 0.00 O ATOM 550 CB LYS A 44 1.303 -15.916 -2.297 1.00 0.00 C ATOM 551 CG LYS A 44 1.865 -17.232 -1.791 1.00 0.00 C ATOM 552 CD LYS A 44 2.929 -17.780 -2.727 1.00 0.00 C ATOM 553 CE LYS A 44 3.904 -18.687 -1.992 1.00 0.00 C ATOM 554 NZ LYS A 44 5.192 -18.828 -2.726 1.00 0.00 N ATOM 0 H LYS A 44 -0.867 -16.902 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.233 -15.710 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.378 -15.893 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.917 -15.099 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.291 -17.089 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.059 -17.958 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.453 -18.335 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.473 -16.954 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.095 -18.284 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.454 -19.670 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.829 -19.454 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.013 -19.236 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.635 -17.893 -2.833 1.00 0.00 H new ATOM 568 N VAL A 45 -0.851 -13.400 -1.417 1.00 0.00 N ATOM 569 CA VAL A 45 -1.284 -12.046 -1.737 1.00 0.00 C ATOM 570 C VAL A 45 -0.098 -11.089 -1.803 1.00 0.00 C ATOM 571 O VAL A 45 0.487 -10.738 -0.778 1.00 0.00 O ATOM 572 CB VAL A 45 -2.296 -11.520 -0.703 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.758 -10.119 -1.072 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.481 -12.468 -0.588 1.00 0.00 C ATOM 0 H VAL A 45 -0.759 -13.588 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.765 -12.092 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.804 -11.470 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.473 -9.764 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.899 -9.448 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.233 -10.139 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.187 -12.081 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.975 -12.552 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.131 -13.451 -0.273 1.00 0.00 H new ATOM 584 N THR A 46 0.252 -10.671 -3.015 1.00 0.00 N ATOM 585 CA THR A 46 1.369 -9.756 -3.215 1.00 0.00 C ATOM 586 C THR A 46 0.877 -8.334 -3.457 1.00 0.00 C ATOM 587 O THR A 46 -0.059 -8.113 -4.226 1.00 0.00 O ATOM 588 CB THR A 46 2.247 -10.192 -4.402 1.00 0.00 C ATOM 589 OG1 THR A 46 1.447 -10.324 -5.582 1.00 0.00 O ATOM 590 CG2 THR A 46 2.942 -11.513 -4.106 1.00 0.00 C ATOM 0 H THR A 46 -0.222 -10.952 -3.873 1.00 0.00 H new ATOM 0 HA THR A 46 1.966 -9.781 -2.303 1.00 0.00 H new ATOM 0 HB THR A 46 3.007 -9.427 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.014 -10.600 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.556 -11.800 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.574 -11.402 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.194 -12.284 -3.921 1.00 0.00 H new ATOM 598 N CYS A 47 1.515 -7.373 -2.797 1.00 0.00 N ATOM 599 CA CYS A 47 1.141 -5.970 -2.941 1.00 0.00 C ATOM 600 C CYS A 47 2.323 -5.140 -3.433 1.00 0.00 C ATOM 601 O CYS A 47 3.471 -5.395 -3.066 1.00 0.00 O ATOM 602 CB CYS A 47 0.635 -5.416 -1.608 1.00 0.00 C ATOM 603 SG CYS A 47 0.314 -3.637 -1.622 1.00 0.00 S ATOM 0 H CYS A 47 2.292 -7.539 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 47 0.342 -5.907 -3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.282 -5.938 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.370 -5.636 -0.833 1.00 0.00 H new ATOM 0 HG CYS A 47 1.062 -3.054 -0.733 1.00 0.00 H new ATOM 609 N THR A 48 2.035 -4.149 -4.271 1.00 0.00 N ATOM 610 CA THR A 48 3.073 -3.284 -4.817 1.00 0.00 C ATOM 611 C THR A 48 2.611 -1.832 -4.863 1.00 0.00 C ATOM 612 O THR A 48 1.775 -1.462 -5.688 1.00 0.00 O ATOM 613 CB THR A 48 3.483 -3.726 -6.235 1.00 0.00 C ATOM 614 OG1 THR A 48 3.845 -5.111 -6.232 1.00 0.00 O ATOM 615 CG2 THR A 48 4.649 -2.892 -6.744 1.00 0.00 C ATOM 0 H THR A 48 1.091 -3.926 -4.586 1.00 0.00 H new ATOM 0 HA THR A 48 3.935 -3.367 -4.155 1.00 0.00 H new ATOM 0 HB THR A 48 2.632 -3.576 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.103 -5.384 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.922 -3.221 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.360 -1.842 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.503 -3.015 -6.077 1.00 0.00 H new ATOM 623 N VAL A 49 3.162 -1.012 -3.973 1.00 0.00 N ATOM 624 CA VAL A 49 2.808 0.400 -3.913 1.00 0.00 C ATOM 625 C VAL A 49 3.577 1.205 -4.955 1.00 0.00 C ATOM 626 O VAL A 49 4.798 1.345 -4.870 1.00 0.00 O ATOM 627 CB VAL A 49 3.085 0.990 -2.517 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.627 2.439 -2.448 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.404 0.156 -1.443 1.00 0.00 C ATOM 0 H VAL A 49 3.856 -1.302 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 49 1.740 0.467 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 49 4.160 0.965 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.831 2.838 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.165 3.026 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.557 2.492 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.610 0.586 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.328 0.147 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.785 -0.864 -1.478 1.00 0.00 H new ATOM 639 N LEU A 50 2.856 1.731 -5.938 1.00 0.00 N ATOM 640 CA LEU A 50 3.471 2.524 -6.997 1.00 0.00 C ATOM 641 C LEU A 50 3.246 4.015 -6.763 1.00 0.00 C ATOM 642 O LEU A 50 2.109 4.483 -6.714 1.00 0.00 O ATOM 643 CB LEU A 50 2.903 2.119 -8.359 1.00 0.00 C ATOM 644 CG LEU A 50 3.786 2.419 -9.570 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.153 1.872 -10.841 1.00 0.00 C ATOM 646 CD2 LEU A 50 4.029 3.916 -9.696 1.00 0.00 C ATOM 0 H LEU A 50 1.845 1.623 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 50 4.544 2.331 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.697 1.049 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.947 2.625 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 50 4.747 1.926 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.796 2.095 -11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.031 0.793 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.178 2.336 -10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.660 4.111 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.076 4.430 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.526 4.281 -8.797 1.00 0.00 H new ATOM 658 N THR A 51 4.340 4.757 -6.620 1.00 0.00 N ATOM 659 CA THR A 51 4.263 6.195 -6.393 1.00 0.00 C ATOM 660 C THR A 51 4.027 6.946 -7.698 1.00 0.00 C ATOM 661 O THR A 51 4.449 6.520 -8.773 1.00 0.00 O ATOM 662 CB THR A 51 5.549 6.728 -5.732 1.00 0.00 C ATOM 663 OG1 THR A 51 6.693 6.329 -6.495 1.00 0.00 O ATOM 664 CG2 THR A 51 5.678 6.214 -4.306 1.00 0.00 C ATOM 0 H THR A 51 5.289 4.386 -6.657 1.00 0.00 H new ATOM 0 HA THR A 51 3.421 6.365 -5.722 1.00 0.00 H new ATOM 0 HB THR A 51 5.493 7.816 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.095 5.533 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.593 6.604 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.820 6.545 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.713 5.125 -4.314 1.00 0.00 H new ATOM 672 N PRO A 52 3.336 8.092 -7.604 1.00 0.00 N ATOM 673 CA PRO A 52 3.028 8.928 -8.769 1.00 0.00 C ATOM 674 C PRO A 52 4.269 9.608 -9.338 1.00 0.00 C ATOM 675 O PRO A 52 4.189 10.339 -10.325 1.00 0.00 O ATOM 676 CB PRO A 52 2.056 9.970 -8.210 1.00 0.00 C ATOM 677 CG PRO A 52 2.375 10.045 -6.756 1.00 0.00 C ATOM 678 CD PRO A 52 2.802 8.660 -6.355 1.00 0.00 C ATOM 0 HA PRO A 52 2.620 8.344 -9.594 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.190 10.937 -8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.020 9.673 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.168 10.768 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.506 10.367 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.557 8.684 -5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.964 8.076 -5.974 1.00 0.00 H new ATOM 686 N ASP A 53 5.413 9.361 -8.710 1.00 0.00 N ATOM 687 CA ASP A 53 6.672 9.948 -9.156 1.00 0.00 C ATOM 688 C ASP A 53 7.247 9.170 -10.335 1.00 0.00 C ATOM 689 O ASP A 53 7.898 9.741 -11.210 1.00 0.00 O ATOM 690 CB ASP A 53 7.681 9.977 -8.007 1.00 0.00 C ATOM 691 CG ASP A 53 8.685 11.103 -8.147 1.00 0.00 C ATOM 692 OD1 ASP A 53 9.365 11.166 -9.193 1.00 0.00 O ATOM 693 OD2 ASP A 53 8.794 11.923 -7.210 1.00 0.00 O ATOM 0 H ASP A 53 5.495 8.759 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 53 6.473 10.969 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.148 10.085 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.210 9.025 -7.968 1.00 0.00 H new ATOM 698 N GLY A 54 7.004 7.864 -10.351 1.00 0.00 N ATOM 699 CA GLY A 54 7.506 7.029 -11.427 1.00 0.00 C ATOM 700 C GLY A 54 8.438 5.941 -10.929 1.00 0.00 C ATOM 701 O GLY A 54 9.282 5.447 -11.678 1.00 0.00 O ATOM 0 H GLY A 54 6.468 7.368 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.666 6.572 -11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.033 7.651 -12.151 1.00 0.00 H new ATOM 705 N THR A 55 8.287 5.568 -9.663 1.00 0.00 N ATOM 706 CA THR A 55 9.123 4.535 -9.066 1.00 0.00 C ATOM 707 C THR A 55 8.284 3.529 -8.287 1.00 0.00 C ATOM 708 O THR A 55 7.088 3.734 -8.079 1.00 0.00 O ATOM 709 CB THR A 55 10.181 5.143 -8.124 1.00 0.00 C ATOM 710 OG1 THR A 55 10.474 4.228 -7.062 1.00 0.00 O ATOM 711 CG2 THR A 55 9.694 6.461 -7.544 1.00 0.00 C ATOM 0 H THR A 55 7.593 5.966 -9.031 1.00 0.00 H new ATOM 0 HA THR A 55 9.627 4.024 -9.886 1.00 0.00 H new ATOM 0 HB THR A 55 11.086 5.331 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.148 4.621 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.457 6.871 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.499 7.165 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.777 6.293 -6.980 1.00 0.00 H new ATOM 719 N GLU A 56 8.917 2.442 -7.859 1.00 0.00 N ATOM 720 CA GLU A 56 8.227 1.403 -7.103 1.00 0.00 C ATOM 721 C GLU A 56 8.616 1.454 -5.628 1.00 0.00 C ATOM 722 O GLU A 56 9.774 1.690 -5.289 1.00 0.00 O ATOM 723 CB GLU A 56 8.547 0.022 -7.678 1.00 0.00 C ATOM 724 CG GLU A 56 8.092 -0.157 -9.117 1.00 0.00 C ATOM 725 CD GLU A 56 8.973 -1.118 -9.892 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.979 -0.663 -10.475 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.656 -2.326 -9.914 1.00 0.00 O ATOM 0 H GLU A 56 9.907 2.257 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 56 7.155 1.583 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.623 -0.146 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.073 -0.739 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.065 -0.523 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.090 0.812 -9.617 1.00 0.00 H new ATOM 734 N ALA A 57 7.638 1.232 -4.756 1.00 0.00 N ATOM 735 CA ALA A 57 7.877 1.250 -3.318 1.00 0.00 C ATOM 736 C ALA A 57 7.686 -0.135 -2.712 1.00 0.00 C ATOM 737 O ALA A 57 6.927 -0.951 -3.233 1.00 0.00 O ATOM 738 CB ALA A 57 6.956 2.256 -2.643 1.00 0.00 C ATOM 0 H ALA A 57 6.672 1.037 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 57 8.911 1.551 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.145 2.259 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.144 3.250 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.918 1.980 -2.828 1.00 0.00 H new ATOM 744 N GLU A 58 8.379 -0.394 -1.607 1.00 0.00 N ATOM 745 CA GLU A 58 8.286 -1.683 -0.932 1.00 0.00 C ATOM 746 C GLU A 58 7.175 -1.669 0.114 1.00 0.00 C ATOM 747 O GLU A 58 7.070 -0.736 0.910 1.00 0.00 O ATOM 748 CB GLU A 58 9.620 -2.036 -0.271 1.00 0.00 C ATOM 749 CG GLU A 58 10.108 -0.987 0.714 1.00 0.00 C ATOM 750 CD GLU A 58 11.231 -1.493 1.597 1.00 0.00 C ATOM 751 OE1 GLU A 58 12.281 -1.892 1.051 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.060 -1.490 2.835 1.00 0.00 O ATOM 0 H GLU A 58 9.010 0.271 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 58 8.049 -2.440 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.518 -2.989 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.374 -2.174 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.450 -0.110 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.275 -0.667 1.340 1.00 0.00 H new ATOM 759 N ALA A 59 6.350 -2.710 0.107 1.00 0.00 N ATOM 760 CA ALA A 59 5.249 -2.819 1.055 1.00 0.00 C ATOM 761 C ALA A 59 5.424 -4.032 1.963 1.00 0.00 C ATOM 762 O ALA A 59 5.848 -5.097 1.516 1.00 0.00 O ATOM 763 CB ALA A 59 3.921 -2.898 0.316 1.00 0.00 C ATOM 0 H ALA A 59 6.423 -3.491 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 59 5.252 -1.926 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.108 -2.979 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.785 -1.999 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.918 -3.773 -0.334 1.00 0.00 H new ATOM 769 N ASP A 60 5.094 -3.863 3.239 1.00 0.00 N ATOM 770 CA ASP A 60 5.214 -4.944 4.210 1.00 0.00 C ATOM 771 C ASP A 60 3.948 -5.793 4.237 1.00 0.00 C ATOM 772 O ASP A 60 2.836 -5.266 4.259 1.00 0.00 O ATOM 773 CB ASP A 60 5.495 -4.378 5.602 1.00 0.00 C ATOM 774 CG ASP A 60 6.950 -3.995 5.789 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.791 -4.907 5.924 1.00 0.00 O ATOM 776 OD2 ASP A 60 7.247 -2.781 5.802 1.00 0.00 O ATOM 0 H ASP A 60 4.741 -2.987 3.625 1.00 0.00 H new ATOM 0 HA ASP A 60 6.048 -5.579 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.868 -3.502 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.217 -5.116 6.354 1.00 0.00 H new ATOM 781 N VAL A 61 4.124 -7.111 4.235 1.00 0.00 N ATOM 782 CA VAL A 61 2.995 -8.033 4.260 1.00 0.00 C ATOM 783 C VAL A 61 3.116 -9.018 5.417 1.00 0.00 C ATOM 784 O VAL A 61 4.192 -9.555 5.678 1.00 0.00 O ATOM 785 CB VAL A 61 2.885 -8.819 2.940 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.707 -9.781 2.988 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.756 -7.867 1.761 1.00 0.00 C ATOM 0 H VAL A 61 5.038 -7.564 4.216 1.00 0.00 H new ATOM 0 HA VAL A 61 2.096 -7.431 4.392 1.00 0.00 H new ATOM 0 HB VAL A 61 3.796 -9.402 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.645 -10.328 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.846 -10.485 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.785 -9.220 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.679 -8.440 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.862 -7.255 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.634 -7.222 1.716 1.00 0.00 H new ATOM 797 N ILE A 62 2.004 -9.250 6.107 1.00 0.00 N ATOM 798 CA ILE A 62 1.985 -10.173 7.236 1.00 0.00 C ATOM 799 C ILE A 62 0.895 -11.225 7.068 1.00 0.00 C ATOM 800 O ILE A 62 -0.293 -10.924 7.174 1.00 0.00 O ATOM 801 CB ILE A 62 1.766 -9.429 8.566 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.861 -8.383 8.779 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.735 -10.414 9.725 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.523 -7.026 8.201 1.00 0.00 C ATOM 0 H ILE A 62 1.105 -8.812 5.904 1.00 0.00 H new ATOM 0 HA ILE A 62 2.958 -10.664 7.260 1.00 0.00 H new ATOM 0 HB ILE A 62 0.805 -8.917 8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.048 -8.277 9.848 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.786 -8.741 8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.579 -9.873 10.658 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.921 -11.124 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.682 -10.952 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.345 -6.335 8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.365 -7.117 7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.615 -6.647 8.670 1.00 0.00 H new ATOM 816 N GLU A 63 1.308 -12.461 6.806 1.00 0.00 N ATOM 817 CA GLU A 63 0.365 -13.558 6.625 1.00 0.00 C ATOM 818 C GLU A 63 -0.259 -13.966 7.957 1.00 0.00 C ATOM 819 O GLU A 63 0.347 -13.798 9.015 1.00 0.00 O ATOM 820 CB GLU A 63 1.064 -14.761 5.988 1.00 0.00 C ATOM 821 CG GLU A 63 1.989 -15.501 6.940 1.00 0.00 C ATOM 822 CD GLU A 63 2.210 -16.945 6.532 1.00 0.00 C ATOM 823 OE1 GLU A 63 3.039 -17.186 5.630 1.00 0.00 O ATOM 824 OE2 GLU A 63 1.553 -17.833 7.115 1.00 0.00 O ATOM 0 H GLU A 63 2.288 -12.727 6.714 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.429 -13.214 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.309 -15.454 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.639 -14.422 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.950 -14.987 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.569 -15.471 7.945 1.00 0.00 H new ATOM 831 N ASN A 64 -1.474 -14.501 7.895 1.00 0.00 N ATOM 832 CA ASN A 64 -2.181 -14.931 9.097 1.00 0.00 C ATOM 833 C ASN A 64 -2.586 -16.398 8.992 1.00 0.00 C ATOM 834 O ASN A 64 -2.645 -16.960 7.899 1.00 0.00 O ATOM 835 CB ASN A 64 -3.421 -14.064 9.322 1.00 0.00 C ATOM 836 CG ASN A 64 -3.122 -12.834 10.159 1.00 0.00 C ATOM 837 OD1 ASN A 64 -3.556 -12.731 11.307 1.00 0.00 O ATOM 838 ND2 ASN A 64 -2.376 -11.897 9.588 1.00 0.00 N ATOM 0 H ASN A 64 -1.989 -14.647 7.027 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.507 -14.817 9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.825 -13.755 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.191 -14.657 9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.140 -11.049 10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.038 -12.025 8.634 1.00 0.00 H new ATOM 845 N GLU A 65 -2.864 -17.013 10.139 1.00 0.00 N ATOM 846 CA GLU A 65 -3.263 -18.414 10.177 1.00 0.00 C ATOM 847 C GLU A 65 -4.597 -18.620 9.464 1.00 0.00 C ATOM 848 O GLU A 65 -4.819 -19.647 8.823 1.00 0.00 O ATOM 849 CB GLU A 65 -3.365 -18.900 11.624 1.00 0.00 C ATOM 850 CG GLU A 65 -3.472 -20.410 11.753 1.00 0.00 C ATOM 851 CD GLU A 65 -3.727 -20.857 13.179 1.00 0.00 C ATOM 852 OE1 GLU A 65 -4.564 -20.225 13.857 1.00 0.00 O ATOM 853 OE2 GLU A 65 -3.091 -21.837 13.617 1.00 0.00 O ATOM 0 H GLU A 65 -2.820 -16.562 11.053 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.500 -18.996 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.489 -18.558 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.236 -18.441 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.279 -20.769 11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.551 -20.868 11.392 1.00 0.00 H new ATOM 860 N ASP A 66 -5.481 -17.635 9.581 1.00 0.00 N ATOM 861 CA ASP A 66 -6.792 -17.706 8.949 1.00 0.00 C ATOM 862 C ASP A 66 -6.673 -17.581 7.434 1.00 0.00 C ATOM 863 O ASP A 66 -7.546 -18.030 6.692 1.00 0.00 O ATOM 864 CB ASP A 66 -7.705 -16.607 9.494 1.00 0.00 C ATOM 865 CG ASP A 66 -9.174 -16.973 9.399 1.00 0.00 C ATOM 866 OD1 ASP A 66 -9.626 -17.818 10.200 1.00 0.00 O ATOM 867 OD2 ASP A 66 -9.870 -16.416 8.525 1.00 0.00 O ATOM 0 H ASP A 66 -5.313 -16.778 10.108 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.228 -18.678 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.449 -16.410 10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.527 -15.684 8.942 1.00 0.00 H new ATOM 872 N GLY A 67 -5.585 -16.965 6.979 1.00 0.00 N ATOM 873 CA GLY A 67 -5.372 -16.790 5.555 1.00 0.00 C ATOM 874 C GLY A 67 -5.494 -15.341 5.124 1.00 0.00 C ATOM 875 O GLY A 67 -5.784 -15.053 3.962 1.00 0.00 O ATOM 0 H GLY A 67 -4.848 -16.584 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.382 -17.162 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.096 -17.391 5.006 1.00 0.00 H new ATOM 879 N THR A 68 -5.273 -14.426 6.062 1.00 0.00 N ATOM 880 CA THR A 68 -5.362 -13.000 5.775 1.00 0.00 C ATOM 881 C THR A 68 -3.981 -12.357 5.748 1.00 0.00 C ATOM 882 O THR A 68 -3.100 -12.723 6.526 1.00 0.00 O ATOM 883 CB THR A 68 -6.235 -12.271 6.813 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.643 -12.377 8.112 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.641 -12.853 6.842 1.00 0.00 C ATOM 0 H THR A 68 -5.031 -14.647 7.028 1.00 0.00 H new ATOM 0 HA THR A 68 -5.823 -12.904 4.792 1.00 0.00 H new ATOM 0 HB THR A 68 -6.299 -11.221 6.528 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.203 -11.909 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.239 -12.322 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.100 -12.745 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.592 -13.910 7.105 1.00 0.00 H new ATOM 893 N TYR A 69 -3.798 -11.397 4.849 1.00 0.00 N ATOM 894 CA TYR A 69 -2.522 -10.703 4.720 1.00 0.00 C ATOM 895 C TYR A 69 -2.671 -9.220 5.048 1.00 0.00 C ATOM 896 O TYR A 69 -3.479 -8.517 4.442 1.00 0.00 O ATOM 897 CB TYR A 69 -1.968 -10.869 3.303 1.00 0.00 C ATOM 898 CG TYR A 69 -1.615 -12.298 2.955 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.586 -13.291 2.942 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.309 -12.654 2.641 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.267 -14.597 2.626 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.018 -13.958 2.321 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.965 -14.925 2.316 1.00 0.00 C ATOM 904 OH TYR A 69 -0.643 -16.226 2.000 1.00 0.00 O ATOM 0 H TYR A 69 -4.517 -11.081 4.198 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.824 -11.145 5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.704 -10.501 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.080 -10.247 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.608 -13.038 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.463 -11.899 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.034 -15.357 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.037 -14.218 2.076 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.143 -16.502 1.203 1.00 0.00 H new ATOM 914 N ASP A 70 -1.886 -8.753 6.012 1.00 0.00 N ATOM 915 CA ASP A 70 -1.928 -7.354 6.422 1.00 0.00 C ATOM 916 C ASP A 70 -0.875 -6.538 5.679 1.00 0.00 C ATOM 917 O ASP A 70 0.287 -6.936 5.595 1.00 0.00 O ATOM 918 CB ASP A 70 -1.712 -7.236 7.931 1.00 0.00 C ATOM 919 CG ASP A 70 -2.525 -8.249 8.714 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.717 -7.983 8.968 1.00 0.00 O ATOM 921 OD2 ASP A 70 -1.966 -9.307 9.074 1.00 0.00 O ATOM 0 H ASP A 70 -1.213 -9.323 6.524 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.912 -6.957 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.654 -7.372 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.980 -6.231 8.256 1.00 0.00 H new ATOM 926 N ILE A 71 -1.290 -5.396 5.141 1.00 0.00 N ATOM 927 CA ILE A 71 -0.383 -4.525 4.405 1.00 0.00 C ATOM 928 C ILE A 71 -0.472 -3.087 4.908 1.00 0.00 C ATOM 929 O ILE A 71 -1.554 -2.599 5.233 1.00 0.00 O ATOM 930 CB ILE A 71 -0.681 -4.548 2.895 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.606 -5.980 2.360 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.292 -3.647 2.149 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.482 -6.220 1.151 1.00 0.00 C ATOM 0 H ILE A 71 -2.249 -5.053 5.201 1.00 0.00 H new ATOM 0 HA ILE A 71 0.625 -4.905 4.574 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.691 -4.172 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.428 -6.209 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.896 -6.671 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.068 -3.674 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.195 -2.625 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.311 -3.996 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.378 -7.255 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.522 -6.023 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.178 -5.554 0.343 1.00 0.00 H new ATOM 945 N PHE A 72 0.672 -2.415 4.968 1.00 0.00 N ATOM 946 CA PHE A 72 0.723 -1.032 5.430 1.00 0.00 C ATOM 947 C PHE A 72 1.672 -0.206 4.568 1.00 0.00 C ATOM 948 O PHE A 72 2.664 -0.721 4.047 1.00 0.00 O ATOM 949 CB PHE A 72 1.167 -0.978 6.893 1.00 0.00 C ATOM 950 CG PHE A 72 0.433 -1.944 7.779 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.743 -3.293 7.764 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.571 -1.501 8.626 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.069 -4.184 8.578 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.247 -2.387 9.442 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.928 -3.729 9.417 1.00 0.00 C ATOM 0 H PHE A 72 1.577 -2.805 4.703 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.278 -0.609 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.235 -1.187 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.020 0.033 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.521 -3.654 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.827 -0.452 8.648 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.322 -5.234 8.558 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.025 -2.029 10.100 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.458 -4.423 10.053 1.00 0.00 H new ATOM 965 N TYR A 73 1.363 1.077 4.420 1.00 0.00 N ATOM 966 CA TYR A 73 2.186 1.975 3.619 1.00 0.00 C ATOM 967 C TYR A 73 1.893 3.433 3.962 1.00 0.00 C ATOM 968 O TYR A 73 0.818 3.763 4.463 1.00 0.00 O ATOM 969 CB TYR A 73 1.943 1.731 2.129 1.00 0.00 C ATOM 970 CG TYR A 73 0.700 2.409 1.599 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.683 3.777 1.352 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.457 1.683 1.345 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.451 4.401 0.869 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.595 2.300 0.860 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.586 3.659 0.624 1.00 0.00 C ATOM 976 OH TYR A 73 -2.717 4.276 0.141 1.00 0.00 O ATOM 0 H TYR A 73 0.548 1.519 4.845 1.00 0.00 H new ATOM 0 HA TYR A 73 3.232 1.770 3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.807 2.084 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.864 0.658 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.571 4.362 1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.467 0.619 1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.448 5.465 0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.486 1.721 0.667 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.501 3.721 0.335 1.00 0.00 H new ATOM 986 N THR A 74 2.860 4.304 3.686 1.00 0.00 N ATOM 987 CA THR A 74 2.708 5.727 3.964 1.00 0.00 C ATOM 988 C THR A 74 2.888 6.556 2.699 1.00 0.00 C ATOM 989 O THR A 74 3.817 6.329 1.923 1.00 0.00 O ATOM 990 CB THR A 74 3.719 6.203 5.025 1.00 0.00 C ATOM 991 OG1 THR A 74 3.611 5.393 6.202 1.00 0.00 O ATOM 992 CG2 THR A 74 3.481 7.662 5.383 1.00 0.00 C ATOM 0 H THR A 74 3.756 4.049 3.271 1.00 0.00 H new ATOM 0 HA THR A 74 1.697 5.868 4.347 1.00 0.00 H new ATOM 0 HB THR A 74 4.722 6.107 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.258 5.700 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.207 7.975 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.592 8.278 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.473 7.779 5.781 1.00 0.00 H new ATOM 1000 N ALA A 75 1.996 7.520 2.496 1.00 0.00 N ATOM 1001 CA ALA A 75 2.059 8.386 1.325 1.00 0.00 C ATOM 1002 C ALA A 75 2.840 9.660 1.626 1.00 0.00 C ATOM 1003 O ALA A 75 2.293 10.625 2.157 1.00 0.00 O ATOM 1004 CB ALA A 75 0.655 8.727 0.845 1.00 0.00 C ATOM 0 H ALA A 75 1.221 7.721 3.128 1.00 0.00 H new ATOM 0 HA ALA A 75 2.582 7.849 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.717 9.374 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.128 7.810 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.114 9.241 1.639 1.00 0.00 H new ATOM 1010 N ALA A 76 4.125 9.655 1.283 1.00 0.00 N ATOM 1011 CA ALA A 76 4.982 10.812 1.516 1.00 0.00 C ATOM 1012 C ALA A 76 4.425 12.054 0.830 1.00 0.00 C ATOM 1013 O ALA A 76 4.284 13.108 1.450 1.00 0.00 O ATOM 1014 CB ALA A 76 6.395 10.526 1.031 1.00 0.00 C ATOM 0 H ALA A 76 4.595 8.863 0.843 1.00 0.00 H new ATOM 0 HA ALA A 76 5.010 11.004 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.025 11.397 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.799 9.669 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.376 10.306 -0.036 1.00 0.00 H new ATOM 1020 N LYS A 77 4.112 11.924 -0.455 1.00 0.00 N ATOM 1021 CA LYS A 77 3.570 13.036 -1.228 1.00 0.00 C ATOM 1022 C LYS A 77 2.224 12.666 -1.844 1.00 0.00 C ATOM 1023 O LYS A 77 1.950 11.502 -2.142 1.00 0.00 O ATOM 1024 CB LYS A 77 4.551 13.447 -2.327 1.00 0.00 C ATOM 1025 CG LYS A 77 4.768 12.374 -3.381 1.00 0.00 C ATOM 1026 CD LYS A 77 6.090 12.562 -4.106 1.00 0.00 C ATOM 1027 CE LYS A 77 7.264 12.131 -3.241 1.00 0.00 C ATOM 1028 NZ LYS A 77 8.469 11.814 -4.059 1.00 0.00 N ATOM 0 H LYS A 77 4.224 11.059 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 77 3.420 13.877 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.183 14.351 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.510 13.697 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.747 11.391 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.950 12.400 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.085 11.984 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.207 13.609 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.504 12.924 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.982 11.256 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.745 10.824 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.252 11.956 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.251 12.440 -3.782 1.00 0.00 H new ATOM 1042 N PRO A 78 1.366 13.676 -2.043 1.00 0.00 N ATOM 1043 CA PRO A 78 0.036 13.481 -2.629 1.00 0.00 C ATOM 1044 C PRO A 78 0.102 13.116 -4.108 1.00 0.00 C ATOM 1045 O PRO A 78 1.129 13.304 -4.759 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.636 14.844 -2.445 1.00 0.00 C ATOM 1047 CG PRO A 78 0.490 15.815 -2.376 1.00 0.00 C ATOM 1048 CD PRO A 78 1.627 15.087 -1.713 1.00 0.00 C ATOM 0 HA PRO A 78 -0.501 12.658 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.304 15.071 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.237 14.870 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.773 16.155 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.208 16.700 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.593 15.417 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.637 15.253 -0.636 1.00 0.00 H new ATOM 1056 N GLY A 79 -1.002 12.592 -4.634 1.00 0.00 N ATOM 1057 CA GLY A 79 -1.048 12.210 -6.033 1.00 0.00 C ATOM 1058 C GLY A 79 -1.927 10.998 -6.274 1.00 0.00 C ATOM 1059 O GLY A 79 -2.922 10.796 -5.578 1.00 0.00 O ATOM 0 H GLY A 79 -1.865 12.426 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.419 13.048 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.037 11.997 -6.382 1.00 0.00 H new ATOM 1063 N THR A 80 -1.561 10.191 -7.265 1.00 0.00 N ATOM 1064 CA THR A 80 -2.326 8.996 -7.598 1.00 0.00 C ATOM 1065 C THR A 80 -1.493 7.735 -7.391 1.00 0.00 C ATOM 1066 O THR A 80 -0.697 7.358 -8.250 1.00 0.00 O ATOM 1067 CB THR A 80 -2.823 9.035 -9.056 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.482 10.280 -9.315 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.777 7.883 -9.333 1.00 0.00 C ATOM 0 H THR A 80 -0.740 10.343 -7.851 1.00 0.00 H new ATOM 0 HA THR A 80 -3.186 8.975 -6.929 1.00 0.00 H new ATOM 0 HB THR A 80 -1.960 8.937 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.794 10.298 -10.244 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.115 7.931 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.264 6.937 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.637 7.955 -8.667 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.684 7.088 -6.247 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.949 5.870 -5.928 1.00 0.00 C ATOM 1079 C TYR A 81 -1.631 4.647 -6.532 1.00 0.00 C ATOM 1080 O TYR A 81 -2.850 4.494 -6.445 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.832 5.704 -4.411 1.00 0.00 C ATOM 1082 CG TYR A 81 0.165 6.646 -3.775 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.003 8.023 -3.861 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.270 6.159 -3.086 1.00 0.00 C ATOM 1085 CE1 TYR A 81 0.911 8.887 -3.282 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.182 7.016 -2.502 1.00 0.00 C ATOM 1087 CZ TYR A 81 1.999 8.379 -2.603 1.00 0.00 C ATOM 1088 OH TYR A 81 2.907 9.237 -2.024 1.00 0.00 O ATOM 0 H TYR A 81 -2.341 7.386 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 81 0.049 5.956 -6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.811 5.865 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.543 4.677 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.848 8.425 -4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.418 5.092 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.770 9.955 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.034 6.621 -1.969 1.00 0.00 H new ATOM 0 HH TYR A 81 2.809 10.130 -2.415 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.835 3.778 -7.146 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.360 2.566 -7.765 1.00 0.00 C ATOM 1100 C VAL A 82 -0.870 1.320 -7.037 1.00 0.00 C ATOM 1101 O VAL A 82 0.330 1.049 -6.988 1.00 0.00 O ATOM 1102 CB VAL A 82 -0.955 2.473 -9.248 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.439 1.164 -9.853 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.500 3.662 -10.025 1.00 0.00 C ATOM 0 H VAL A 82 0.175 3.890 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.446 2.620 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 82 0.133 2.495 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.144 1.116 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.996 0.328 -9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.525 1.109 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.204 3.580 -11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.588 3.674 -9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.099 4.585 -9.606 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.807 0.565 -6.473 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.469 -0.654 -5.748 1.00 0.00 C ATOM 1116 C ILE A 83 -1.850 -1.895 -6.550 1.00 0.00 C ATOM 1117 O ILE A 83 -2.981 -2.019 -7.020 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.172 -0.708 -4.378 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.768 0.498 -3.527 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.836 -2.006 -3.660 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.805 0.884 -2.495 1.00 0.00 C ATOM 0 H ILE A 83 -2.805 0.775 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.390 -0.640 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.250 -0.673 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.828 0.277 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.585 1.350 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.340 -2.029 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.168 -2.852 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.758 -2.069 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.452 1.746 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.740 1.137 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.972 0.048 -1.816 1.00 0.00 H new ATOM 1133 N TYR A 84 -0.899 -2.809 -6.701 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.134 -4.040 -7.448 1.00 0.00 C ATOM 1135 C TYR A 84 -1.296 -5.227 -6.503 1.00 0.00 C ATOM 1136 O TYR A 84 -0.380 -5.569 -5.755 1.00 0.00 O ATOM 1137 CB TYR A 84 0.020 -4.301 -8.418 1.00 0.00 C ATOM 1138 CG TYR A 84 0.263 -3.166 -9.388 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -0.730 -2.755 -10.270 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.486 -2.507 -9.424 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.512 -1.720 -11.157 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.711 -1.470 -10.308 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.710 -1.080 -11.173 1.00 0.00 C ATOM 1144 OH TYR A 84 0.932 -0.048 -12.056 1.00 0.00 O ATOM 0 H TYR A 84 0.042 -2.722 -6.317 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.057 -3.920 -8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.931 -4.481 -7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.188 -5.211 -8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.688 -3.254 -10.261 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.273 -2.811 -8.750 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.294 -1.413 -11.835 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.666 -0.967 -10.322 1.00 0.00 H new ATOM 0 HH TYR A 84 0.127 0.100 -12.595 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.469 -5.851 -6.544 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.753 -7.000 -5.694 1.00 0.00 C ATOM 1156 C VAL A 85 -3.043 -8.243 -6.529 1.00 0.00 C ATOM 1157 O VAL A 85 -3.888 -8.220 -7.424 1.00 0.00 O ATOM 1158 CB VAL A 85 -3.952 -6.730 -4.766 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.107 -7.853 -3.751 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.791 -5.388 -4.067 1.00 0.00 C ATOM 0 H VAL A 85 -3.238 -5.580 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.864 -7.171 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.857 -6.694 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.959 -7.644 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.270 -8.796 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.203 -7.925 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.647 -5.212 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.877 -5.395 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.734 -4.594 -4.812 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.335 -9.328 -6.231 1.00 0.00 N ATOM 1171 CA ARG A 86 -2.516 -10.581 -6.954 1.00 0.00 C ATOM 1172 C ARG A 86 -2.666 -11.750 -5.987 1.00 0.00 C ATOM 1173 O ARG A 86 -1.921 -11.865 -5.013 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.330 -10.829 -7.890 1.00 0.00 C ATOM 1175 CG ARG A 86 -1.037 -12.301 -8.123 1.00 0.00 C ATOM 1176 CD ARG A 86 0.208 -12.494 -8.977 1.00 0.00 C ATOM 1177 NE ARG A 86 0.903 -13.737 -8.658 1.00 0.00 N ATOM 1178 CZ ARG A 86 2.143 -14.007 -9.052 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.819 -13.125 -9.775 1.00 0.00 N ATOM 1180 NH2 ARG A 86 2.708 -15.160 -8.722 1.00 0.00 N ATOM 0 H ARG A 86 -1.631 -9.364 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.428 -10.502 -7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.528 -10.350 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.443 -10.352 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.903 -12.802 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.891 -12.770 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.072 -12.495 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.884 -11.652 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 86 0.410 -14.436 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.387 -12.237 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.771 -13.335 -10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.191 -15.840 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.660 -15.367 -9.025 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.637 -12.616 -6.261 1.00 0.00 N ATOM 1195 CA PHE A 87 -3.888 -13.776 -5.414 1.00 0.00 C ATOM 1196 C PHE A 87 -3.623 -15.072 -6.174 1.00 0.00 C ATOM 1197 O PHE A 87 -4.355 -15.424 -7.099 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.330 -13.759 -4.901 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.661 -14.915 -4.003 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -4.954 -15.123 -2.830 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.680 -15.795 -4.331 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -5.256 -16.186 -2.001 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.987 -16.861 -3.506 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.276 -17.056 -2.339 1.00 0.00 C ATOM 0 H PHE A 87 -4.262 -12.536 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.207 -13.727 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.504 -12.828 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.010 -13.765 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.157 -14.446 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.241 -15.646 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.696 -16.337 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.782 -17.541 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.516 -17.886 -1.691 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.568 -15.780 -5.778 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.224 -17.028 -6.432 1.00 0.00 C ATOM 1216 C GLY A 88 -2.114 -16.883 -7.937 1.00 0.00 C ATOM 1217 O GLY A 88 -2.560 -17.752 -8.686 1.00 0.00 O ATOM 0 H GLY A 88 -1.946 -15.510 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.277 -17.394 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.979 -17.778 -6.197 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.520 -15.779 -8.382 1.00 0.00 N ATOM 1222 CA GLY A 89 -1.365 -15.543 -9.805 1.00 0.00 C ATOM 1223 C GLY A 89 -2.652 -15.076 -10.458 1.00 0.00 C ATOM 1224 O GLY A 89 -2.869 -15.301 -11.649 1.00 0.00 O ATOM 0 H GLY A 89 -1.144 -15.045 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.588 -14.795 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.028 -16.460 -10.288 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.508 -14.424 -9.677 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.779 -13.925 -10.186 1.00 0.00 C ATOM 1230 C VAL A 90 -5.037 -12.498 -9.716 1.00 0.00 C ATOM 1231 O VAL A 90 -5.382 -12.268 -8.557 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.952 -14.819 -9.742 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -7.267 -14.288 -10.290 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.723 -16.257 -10.184 1.00 0.00 C ATOM 0 H VAL A 90 -3.344 -14.229 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.712 -13.940 -11.274 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.007 -14.801 -8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.083 -14.933 -9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.434 -13.277 -9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.228 -14.273 -11.379 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.561 -16.875 -9.862 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.641 -16.295 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.803 -16.633 -9.737 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.867 -11.543 -10.623 1.00 0.00 N ATOM 1245 CA ASP A 91 -5.082 -10.137 -10.302 1.00 0.00 C ATOM 1246 C ASP A 91 -6.566 -9.845 -10.105 1.00 0.00 C ATOM 1247 O ASP A 91 -7.331 -9.791 -11.069 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.518 -9.246 -11.410 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.589 -7.772 -11.062 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.939 -7.363 -10.076 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.294 -7.028 -11.774 1.00 0.00 O ATOM 0 H ASP A 91 -4.581 -11.717 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.560 -9.920 -9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.481 -9.521 -11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.070 -9.425 -12.332 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.967 -9.660 -8.852 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.360 -9.375 -8.529 1.00 0.00 C ATOM 1258 C ILE A 92 -8.949 -8.354 -9.495 1.00 0.00 C ATOM 1259 O ILE A 92 -8.239 -7.544 -10.091 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.507 -8.849 -7.089 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.468 -7.761 -6.811 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.368 -9.989 -6.091 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.196 -7.546 -5.339 1.00 0.00 C ATOM 0 H ILE A 92 -6.347 -9.702 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.905 -10.314 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.500 -8.414 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.535 -8.025 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.810 -6.823 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.474 -9.601 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.143 -10.733 -6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.387 -10.451 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.450 -6.761 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.118 -7.251 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.824 -8.471 -4.899 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.281 -8.390 -9.654 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.997 -7.472 -10.544 1.00 0.00 C ATOM 1277 C PRO A 93 -10.999 -6.039 -10.021 1.00 0.00 C ATOM 1278 O PRO A 93 -11.548 -5.139 -10.653 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.420 -8.035 -10.566 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.555 -8.773 -9.278 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.190 -9.329 -8.974 1.00 0.00 C ATOM 0 HA PRO A 93 -10.532 -7.414 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.160 -7.238 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.571 -8.696 -11.419 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.892 -8.110 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.292 -9.572 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.001 -9.366 -7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.076 -10.345 -9.353 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.381 -5.837 -8.862 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.313 -4.513 -8.254 1.00 0.00 C ATOM 1291 C ASN A 94 -8.968 -3.852 -8.540 1.00 0.00 C ATOM 1292 O ASN A 94 -8.800 -2.650 -8.336 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.535 -4.612 -6.742 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.996 -4.791 -6.383 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.642 -3.869 -5.884 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.526 -5.983 -6.636 1.00 0.00 N ATOM 0 H ASN A 94 -9.921 -6.572 -8.325 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.100 -3.898 -8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.961 -5.451 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.153 -3.711 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.506 -6.163 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.953 -6.718 -7.050 1.00 0.00 H new ATOM 1303 N SER A 95 -8.013 -4.646 -9.014 1.00 0.00 N ATOM 1304 CA SER A 95 -6.682 -4.139 -9.325 1.00 0.00 C ATOM 1305 C SER A 95 -6.602 -3.680 -10.777 1.00 0.00 C ATOM 1306 O SER A 95 -7.187 -4.280 -11.679 1.00 0.00 O ATOM 1307 CB SER A 95 -5.629 -5.216 -9.061 1.00 0.00 C ATOM 1308 OG SER A 95 -4.398 -4.639 -8.660 1.00 0.00 O ATOM 0 H SER A 95 -8.137 -5.643 -9.191 1.00 0.00 H new ATOM 0 HA SER A 95 -6.486 -3.283 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.985 -5.895 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.479 -5.811 -9.962 1.00 0.00 H new ATOM 0 HG SER A 95 -3.657 -5.124 -9.080 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.860 -2.587 -11.012 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.160 -1.863 -9.946 1.00 0.00 C ATOM 1316 C PRO A 96 -6.119 -1.131 -9.015 1.00 0.00 C ATOM 1317 O PRO A 96 -7.299 -0.967 -9.327 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.290 -0.862 -10.711 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.995 -0.659 -12.007 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.649 -1.974 -12.333 1.00 0.00 C ATOM 0 HA PRO A 96 -4.595 -2.535 -9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.191 0.075 -10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.283 -1.250 -10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.736 0.136 -11.928 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.296 -0.366 -12.790 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.590 -1.834 -12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.013 -2.593 -12.966 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.607 -0.693 -7.870 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.419 0.021 -6.892 1.00 0.00 C ATOM 1330 C PHE A 97 -6.102 1.513 -6.906 1.00 0.00 C ATOM 1331 O PHE A 97 -5.071 1.946 -6.390 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.186 -0.548 -5.490 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.973 -1.797 -5.211 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.777 -2.939 -5.971 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.910 -1.827 -4.191 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.500 -4.089 -5.716 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.635 -2.975 -3.932 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.431 -4.107 -4.695 1.00 0.00 C ATOM 0 H PHE A 97 -4.633 -0.820 -7.596 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.467 -0.112 -7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.124 -0.762 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.448 0.209 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.052 -2.930 -6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.076 -0.944 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.337 -4.973 -6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.361 -2.986 -3.133 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.997 -5.004 -4.495 1.00 0.00 H new ATOM 1348 N THR A 98 -6.995 2.297 -7.503 1.00 0.00 N ATOM 1349 CA THR A 98 -6.810 3.740 -7.588 1.00 0.00 C ATOM 1350 C THR A 98 -7.055 4.406 -6.238 1.00 0.00 C ATOM 1351 O THR A 98 -8.170 4.385 -5.718 1.00 0.00 O ATOM 1352 CB THR A 98 -7.751 4.365 -8.635 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.493 3.801 -9.924 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.569 5.876 -8.691 1.00 0.00 C ATOM 0 H THR A 98 -7.854 1.956 -7.935 1.00 0.00 H new ATOM 0 HA THR A 98 -5.777 3.910 -7.891 1.00 0.00 H new ATOM 0 HB THR A 98 -8.779 4.148 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.097 4.202 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.243 6.296 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.794 6.306 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.539 6.109 -8.961 1.00 0.00 H new ATOM 1362 N VAL A 99 -6.005 4.996 -5.675 1.00 0.00 N ATOM 1363 CA VAL A 99 -6.107 5.670 -4.387 1.00 0.00 C ATOM 1364 C VAL A 99 -5.603 7.105 -4.476 1.00 0.00 C ATOM 1365 O VAL A 99 -4.477 7.353 -4.906 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.311 4.924 -3.300 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -5.437 5.637 -1.961 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.780 3.481 -3.190 1.00 0.00 C ATOM 0 H VAL A 99 -5.074 5.021 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.163 5.676 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.259 4.919 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.868 5.095 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.048 6.651 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.486 5.676 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.206 2.970 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.838 3.461 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.632 2.977 -4.145 1.00 0.00 H new ATOM 1378 N MET A 100 -6.445 8.049 -4.066 1.00 0.00 N ATOM 1379 CA MET A 100 -6.083 9.462 -4.098 1.00 0.00 C ATOM 1380 C MET A 100 -5.501 9.904 -2.759 1.00 0.00 C ATOM 1381 O MET A 100 -6.171 9.838 -1.729 1.00 0.00 O ATOM 1382 CB MET A 100 -7.305 10.315 -4.444 1.00 0.00 C ATOM 1383 CG MET A 100 -7.005 11.803 -4.521 1.00 0.00 C ATOM 1384 SD MET A 100 -8.436 12.775 -5.027 1.00 0.00 S ATOM 1385 CE MET A 100 -8.358 12.592 -6.807 1.00 0.00 C ATOM 0 H MET A 100 -7.382 7.861 -3.708 1.00 0.00 H new ATOM 0 HA MET A 100 -5.323 9.600 -4.867 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.710 9.984 -5.401 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.079 10.147 -3.695 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.660 12.151 -3.547 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.190 11.969 -5.226 1.00 0.00 H new ATOM 0 HE1 MET A 100 -9.182 13.139 -7.265 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.411 12.989 -7.172 1.00 0.00 H new ATOM 0 HE3 MET A 100 -8.434 11.536 -7.068 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.252 10.355 -2.782 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.581 10.810 -1.571 1.00 0.00 C ATOM 1397 C ALA A 101 -3.747 12.315 -1.383 1.00 0.00 C ATOM 1398 O ALA A 101 -3.197 13.111 -2.145 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.106 10.442 -1.614 1.00 0.00 C ATOM 0 H ALA A 101 -3.684 10.415 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.044 10.310 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.618 10.788 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.003 9.360 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.638 10.914 -2.478 1.00 0.00 H new ATOM 1405 N THR A 102 -4.510 12.699 -0.365 1.00 0.00 N ATOM 1406 CA THR A 102 -4.750 14.108 -0.078 1.00 0.00 C ATOM 1407 C THR A 102 -3.776 14.629 0.971 1.00 0.00 C ATOM 1408 O THR A 102 -3.402 13.910 1.898 1.00 0.00 O ATOM 1409 CB THR A 102 -6.191 14.343 0.413 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.537 13.368 1.402 1.00 0.00 O ATOM 1411 CG2 THR A 102 -7.175 14.270 -0.744 1.00 0.00 C ATOM 0 H THR A 102 -4.973 12.054 0.275 1.00 0.00 H new ATOM 0 HA THR A 102 -4.599 14.651 -1.011 1.00 0.00 H new ATOM 0 HB THR A 102 -6.244 15.339 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.436 12.469 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.186 14.439 -0.373 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.927 15.033 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.119 13.285 -1.208 1.00 0.00 H new