USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 160:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.947 X(o=-0.95,f=-0.65) USER MOD Single : A 32 GLN : amide:sc= -0.656 X(o=-0.66,f=-1.1!) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.745 USER MOD Single : A 34 SER OG : rot 180:sc= -0.112 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.05! C(o=-5.1!,f=-6.2!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 57 SER OG : rot 81:sc= 0.915 USER MOD Single : A 58 THR OG1 : rot 45:sc= 0.167 USER MOD Single : A 59 CYS SG : rot 38:sc= 0.0104 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0906 K(o=-0.091,f=-2.1!) USER MOD Single : A 76 HIS : no HD1:sc= -1 K(o=-1,f=-2.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.773 USER MOD Single : A 85 ASN : amide:sc= -8.15! C(o=-8.2!,f=-26!) USER MOD Single : A 89 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.0072) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -103:sc= 1.32 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -1.97 X(o=-2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.712 -0.707 1.432 1.00 0.00 N ATOM 84 CA GLU A 9 17.359 -0.932 0.938 1.00 0.00 C ATOM 85 C GLU A 9 16.494 -1.599 2.004 1.00 0.00 C ATOM 86 O GLU A 9 16.978 -1.955 3.079 1.00 0.00 O ATOM 87 CB GLU A 9 17.390 -1.798 -0.323 1.00 0.00 C ATOM 88 CG GLU A 9 18.039 -1.114 -1.515 1.00 0.00 C ATOM 89 CD GLU A 9 19.544 -1.303 -1.548 1.00 0.00 C ATOM 90 OE1 GLU A 9 20.009 -2.410 -1.205 1.00 0.00 O ATOM 91 OE2 GLU A 9 20.255 -0.346 -1.917 1.00 0.00 O ATOM 0 HA GLU A 9 16.923 0.037 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.928 -2.721 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.370 -2.078 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.607 -1.508 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.811 -0.049 -1.486 1.00 0.00 H new ATOM 98 N VAL A 10 15.211 -1.765 1.698 1.00 0.00 N ATOM 99 CA VAL A 10 14.278 -2.389 2.629 1.00 0.00 C ATOM 100 C VAL A 10 13.263 -3.255 1.891 1.00 0.00 C ATOM 101 O VAL A 10 12.964 -3.019 0.721 1.00 0.00 O ATOM 102 CB VAL A 10 13.527 -1.334 3.462 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.247 -1.921 4.038 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.421 -0.795 4.569 1.00 0.00 C ATOM 0 H VAL A 10 14.794 -1.476 0.813 1.00 0.00 H new ATOM 0 HA VAL A 10 14.868 -3.016 3.297 1.00 0.00 H new ATOM 0 HB VAL A 10 13.256 -0.505 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.730 -1.161 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.602 -2.255 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.491 -2.769 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.875 -0.051 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.724 -1.613 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.306 -0.335 4.130 1.00 0.00 H new ATOM 114 N ALA A 11 12.736 -4.260 2.584 1.00 0.00 N ATOM 115 CA ALA A 11 11.752 -5.160 1.995 1.00 0.00 C ATOM 116 C ALA A 11 10.335 -4.641 2.211 1.00 0.00 C ATOM 117 O ALA A 11 10.077 -3.817 3.089 1.00 0.00 O ATOM 118 CB ALA A 11 11.899 -6.557 2.580 1.00 0.00 C ATOM 0 H ALA A 11 12.974 -4.471 3.553 1.00 0.00 H new ATOM 0 HA ALA A 11 11.934 -5.206 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.158 -7.219 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.899 -6.936 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.745 -6.518 3.658 1.00 0.00 H new ATOM 124 N PRO A 12 9.393 -5.131 1.391 1.00 0.00 N ATOM 125 CA PRO A 12 7.986 -4.730 1.473 1.00 0.00 C ATOM 126 C PRO A 12 7.305 -5.258 2.731 1.00 0.00 C ATOM 127 O PRO A 12 7.375 -6.449 3.034 1.00 0.00 O ATOM 128 CB PRO A 12 7.364 -5.361 0.224 1.00 0.00 C ATOM 129 CG PRO A 12 8.242 -6.522 -0.091 1.00 0.00 C ATOM 130 CD PRO A 12 9.630 -6.116 0.322 1.00 0.00 C ATOM 0 HA PRO A 12 7.873 -3.647 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.338 -5.679 0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.332 -4.652 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.919 -7.413 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.206 -6.762 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.208 -6.968 0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.186 -5.681 -0.509 1.00 0.00 H new ATOM 138 N SER A 13 6.645 -4.363 3.461 1.00 0.00 N ATOM 139 CA SER A 13 5.954 -4.739 4.689 1.00 0.00 C ATOM 140 C SER A 13 4.697 -3.896 4.884 1.00 0.00 C ATOM 141 O SER A 13 4.581 -2.798 4.340 1.00 0.00 O ATOM 142 CB SER A 13 6.883 -4.574 5.893 1.00 0.00 C ATOM 143 OG SER A 13 6.548 -5.487 6.924 1.00 0.00 O ATOM 0 H SER A 13 6.575 -3.374 3.223 1.00 0.00 H new ATOM 0 HA SER A 13 5.661 -5.785 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.916 -4.733 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.817 -3.554 6.271 1.00 0.00 H new ATOM 0 HG SER A 13 7.157 -5.363 7.682 1.00 0.00 H new ATOM 149 N PHE A 14 3.757 -4.420 5.664 1.00 0.00 N ATOM 150 CA PHE A 14 2.507 -3.718 5.931 1.00 0.00 C ATOM 151 C PHE A 14 2.446 -3.247 7.381 1.00 0.00 C ATOM 152 O PHE A 14 2.007 -3.982 8.265 1.00 0.00 O ATOM 153 CB PHE A 14 1.313 -4.625 5.627 1.00 0.00 C ATOM 154 CG PHE A 14 0.946 -4.666 4.171 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.402 -3.554 3.548 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.145 -5.817 3.425 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.063 -3.590 2.209 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.808 -5.858 2.085 1.00 0.00 C ATOM 159 CZ PHE A 14 0.268 -4.743 1.476 1.00 0.00 C ATOM 0 H PHE A 14 3.837 -5.328 6.122 1.00 0.00 H new ATOM 0 HA PHE A 14 2.465 -2.844 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.540 -5.636 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.452 -4.283 6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.241 -2.649 4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.568 -6.692 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.362 -2.717 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.967 -6.761 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.006 -4.772 0.429 1.00 0.00 H new ATOM 169 N SER A 15 2.891 -2.017 7.616 1.00 0.00 N ATOM 170 CA SER A 15 2.892 -1.448 8.959 1.00 0.00 C ATOM 171 C SER A 15 1.501 -1.523 9.582 1.00 0.00 C ATOM 172 O SER A 15 1.360 -1.623 10.801 1.00 0.00 O ATOM 173 CB SER A 15 3.368 0.005 8.920 1.00 0.00 C ATOM 174 OG SER A 15 4.657 0.104 8.339 1.00 0.00 O ATOM 0 H SER A 15 3.255 -1.395 6.894 1.00 0.00 H new ATOM 0 HA SER A 15 3.578 -2.031 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.661 0.607 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.389 0.411 9.931 1.00 0.00 H new ATOM 0 HG SER A 15 4.808 1.022 8.032 1.00 0.00 H new ATOM 180 N SER A 16 0.478 -1.474 8.736 1.00 0.00 N ATOM 181 CA SER A 16 -0.903 -1.532 9.202 1.00 0.00 C ATOM 182 C SER A 16 -1.807 -2.161 8.146 1.00 0.00 C ATOM 183 O SER A 16 -2.137 -1.532 7.140 1.00 0.00 O ATOM 184 CB SER A 16 -1.405 -0.130 9.550 1.00 0.00 C ATOM 185 OG SER A 16 -2.398 -0.181 10.560 1.00 0.00 O ATOM 0 H SER A 16 0.579 -1.394 7.724 1.00 0.00 H new ATOM 0 HA SER A 16 -0.933 -2.153 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.571 0.486 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.813 0.346 8.658 1.00 0.00 H new ATOM 0 HG SER A 16 -2.702 0.728 10.766 1.00 0.00 H new ATOM 191 N VAL A 17 -2.204 -3.408 8.382 1.00 0.00 N ATOM 192 CA VAL A 17 -3.071 -4.123 7.453 1.00 0.00 C ATOM 193 C VAL A 17 -4.485 -3.553 7.471 1.00 0.00 C ATOM 194 O VAL A 17 -4.875 -2.862 8.413 1.00 0.00 O ATOM 195 CB VAL A 17 -3.130 -5.626 7.784 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.746 -6.250 7.684 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.723 -5.843 9.168 1.00 0.00 C ATOM 0 H VAL A 17 -1.939 -3.944 9.209 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.644 -3.994 6.458 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.776 -6.116 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.808 -7.312 7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.363 -6.126 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.074 -5.759 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.757 -6.910 9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.104 -5.341 9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.733 -5.434 9.199 1.00 0.00 H new ATOM 207 N LEU A 18 -5.249 -3.849 6.426 1.00 0.00 N ATOM 208 CA LEU A 18 -6.622 -3.367 6.321 1.00 0.00 C ATOM 209 C LEU A 18 -7.511 -4.021 7.374 1.00 0.00 C ATOM 210 O LEU A 18 -7.193 -5.093 7.891 1.00 0.00 O ATOM 211 CB LEU A 18 -7.177 -3.647 4.923 1.00 0.00 C ATOM 212 CG LEU A 18 -6.391 -3.048 3.756 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.557 -3.900 2.508 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.836 -1.618 3.492 1.00 0.00 C ATOM 0 H LEU A 18 -4.941 -4.420 5.639 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.617 -2.291 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.228 -4.727 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.199 -3.271 4.878 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.334 -3.034 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.991 -3.458 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.188 -4.907 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.612 -3.947 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.266 -1.208 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.898 -1.607 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.663 -1.013 4.382 1.00 0.00 H new ATOM 226 N LYS A 19 -8.626 -3.371 7.686 1.00 0.00 N ATOM 227 CA LYS A 19 -9.564 -3.890 8.675 1.00 0.00 C ATOM 228 C LYS A 19 -10.994 -3.846 8.144 1.00 0.00 C ATOM 229 O LYS A 19 -11.403 -2.870 7.516 1.00 0.00 O ATOM 230 CB LYS A 19 -9.466 -3.085 9.973 1.00 0.00 C ATOM 231 CG LYS A 19 -8.154 -3.283 10.713 1.00 0.00 C ATOM 232 CD LYS A 19 -8.078 -4.658 11.355 1.00 0.00 C ATOM 233 CE LYS A 19 -6.711 -4.911 11.971 1.00 0.00 C ATOM 234 NZ LYS A 19 -6.640 -4.431 13.379 1.00 0.00 N ATOM 0 H LYS A 19 -8.903 -2.483 7.268 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.302 -4.928 8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.589 -2.026 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.290 -3.367 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.322 -3.157 10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.049 -2.516 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.846 -4.745 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.288 -5.422 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.490 -5.978 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.947 -4.410 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.693 -4.622 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.826 -3.408 13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.352 -4.928 13.951 1.00 0.00 H new ATOM 248 N ASP A 20 -11.748 -4.908 8.403 1.00 0.00 N ATOM 249 CA ASP A 20 -13.133 -4.989 7.953 1.00 0.00 C ATOM 250 C ASP A 20 -13.856 -3.665 8.178 1.00 0.00 C ATOM 251 O ASP A 20 -13.738 -3.054 9.241 1.00 0.00 O ATOM 252 CB ASP A 20 -13.865 -6.114 8.687 1.00 0.00 C ATOM 253 CG ASP A 20 -13.508 -7.485 8.148 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.311 -7.841 8.174 1.00 0.00 O ATOM 255 OD2 ASP A 20 -14.426 -8.204 7.700 1.00 0.00 O ATOM 0 H ASP A 20 -11.424 -5.724 8.922 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.130 -5.204 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.622 -6.070 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.941 -5.961 8.600 1.00 0.00 H new ATOM 260 N CYS A 21 -14.603 -3.227 7.171 1.00 0.00 N ATOM 261 CA CYS A 21 -15.344 -1.973 7.257 1.00 0.00 C ATOM 262 C CYS A 21 -16.697 -2.093 6.565 1.00 0.00 C ATOM 263 O CYS A 21 -16.909 -2.983 5.742 1.00 0.00 O ATOM 264 CB CYS A 21 -14.536 -0.835 6.631 1.00 0.00 C ATOM 265 SG CYS A 21 -14.850 0.786 7.369 1.00 0.00 S ATOM 0 H CYS A 21 -14.712 -3.721 6.285 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.514 -1.751 8.311 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.474 -1.064 6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.761 -0.787 5.566 1.00 0.00 H new ATOM 0 HG CYS A 21 -14.119 1.682 6.775 1.00 0.00 H new ATOM 271 N ALA A 22 -17.612 -1.190 6.905 1.00 0.00 N ATOM 272 CA ALA A 22 -18.945 -1.194 6.316 1.00 0.00 C ATOM 273 C ALA A 22 -19.301 0.178 5.753 1.00 0.00 C ATOM 274 O ALA A 22 -18.881 1.206 6.284 1.00 0.00 O ATOM 275 CB ALA A 22 -19.977 -1.627 7.347 1.00 0.00 C ATOM 0 H ALA A 22 -17.454 -0.447 7.585 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.949 -1.908 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.968 -1.625 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.741 -2.631 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.963 -0.935 8.189 1.00 0.00 H new ATOM 281 N VAL A 23 -20.077 0.186 4.674 1.00 0.00 N ATOM 282 CA VAL A 23 -20.490 1.432 4.039 1.00 0.00 C ATOM 283 C VAL A 23 -21.934 1.351 3.556 1.00 0.00 C ATOM 284 O VAL A 23 -22.492 0.262 3.416 1.00 0.00 O ATOM 285 CB VAL A 23 -19.580 1.783 2.846 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.850 0.850 1.676 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.774 3.235 2.437 1.00 0.00 C ATOM 0 H VAL A 23 -20.432 -0.656 4.221 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.406 2.214 4.793 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.542 1.652 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.198 1.113 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.655 -0.179 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.891 0.946 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.124 3.465 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.813 3.396 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.525 3.886 3.275 1.00 0.00 H new ATOM 297 N ILE A 24 -22.532 2.510 3.301 1.00 0.00 N ATOM 298 CA ILE A 24 -23.911 2.569 2.832 1.00 0.00 C ATOM 299 C ILE A 24 -23.978 2.492 1.310 1.00 0.00 C ATOM 300 O ILE A 24 -23.084 2.974 0.616 1.00 0.00 O ATOM 301 CB ILE A 24 -24.610 3.859 3.300 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.939 3.774 4.792 1.00 0.00 C ATOM 303 CG2 ILE A 24 -25.872 4.103 2.487 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.779 2.570 5.158 1.00 0.00 C ATOM 0 H ILE A 24 -22.084 3.420 3.411 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.427 1.710 3.260 1.00 0.00 H new ATOM 0 HB ILE A 24 -23.933 4.699 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -24.009 3.744 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.466 4.680 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.354 5.018 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.612 4.203 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.555 3.263 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.973 2.574 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -26.725 2.608 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -25.245 1.659 4.890 1.00 0.00 H new ATOM 316 N GLU A 25 -25.044 1.884 0.800 1.00 0.00 N ATOM 317 CA GLU A 25 -25.227 1.745 -0.640 1.00 0.00 C ATOM 318 C GLU A 25 -25.293 3.112 -1.314 1.00 0.00 C ATOM 319 O GLU A 25 -26.299 3.815 -1.220 1.00 0.00 O ATOM 320 CB GLU A 25 -26.502 0.954 -0.940 1.00 0.00 C ATOM 321 CG GLU A 25 -26.475 0.242 -2.282 1.00 0.00 C ATOM 322 CD GLU A 25 -27.502 -0.869 -2.375 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.233 -1.971 -1.854 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.576 -0.635 -2.968 1.00 0.00 O ATOM 0 H GLU A 25 -25.793 1.480 1.362 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.370 1.203 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.657 0.218 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.355 1.633 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.656 0.966 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.481 -0.173 -2.449 1.00 0.00 H new ATOM 331 N GLY A 26 -24.213 3.483 -1.995 1.00 0.00 N ATOM 332 CA GLY A 26 -24.168 4.764 -2.675 1.00 0.00 C ATOM 333 C GLY A 26 -23.222 5.742 -2.006 1.00 0.00 C ATOM 334 O GLY A 26 -23.038 6.861 -2.484 1.00 0.00 O ATOM 0 H GLY A 26 -23.368 2.919 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -23.858 4.612 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.170 5.193 -2.702 1.00 0.00 H new ATOM 338 N GLN A 27 -22.622 5.320 -0.898 1.00 0.00 N ATOM 339 CA GLN A 27 -21.693 6.168 -0.162 1.00 0.00 C ATOM 340 C GLN A 27 -20.260 5.944 -0.635 1.00 0.00 C ATOM 341 O GLN A 27 -19.978 4.991 -1.362 1.00 0.00 O ATOM 342 CB GLN A 27 -21.795 5.891 1.339 1.00 0.00 C ATOM 343 CG GLN A 27 -22.917 6.656 2.023 1.00 0.00 C ATOM 344 CD GLN A 27 -22.991 8.104 1.579 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.293 8.966 2.113 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.841 8.379 0.597 1.00 0.00 N ATOM 0 H GLN A 27 -22.763 4.396 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.962 7.207 -0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.948 4.823 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.848 6.150 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.867 6.166 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.772 6.618 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.400 7.633 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.935 9.336 0.257 1.00 0.00 H new ATOM 355 N ASP A 28 -19.360 6.828 -0.219 1.00 0.00 N ATOM 356 CA ASP A 28 -17.956 6.726 -0.600 1.00 0.00 C ATOM 357 C ASP A 28 -17.136 6.081 0.514 1.00 0.00 C ATOM 358 O ASP A 28 -17.508 6.139 1.686 1.00 0.00 O ATOM 359 CB ASP A 28 -17.393 8.110 -0.928 1.00 0.00 C ATOM 360 CG ASP A 28 -15.966 8.049 -1.437 1.00 0.00 C ATOM 361 OD1 ASP A 28 -15.608 7.040 -2.078 1.00 0.00 O ATOM 362 OD2 ASP A 28 -15.207 9.010 -1.192 1.00 0.00 O ATOM 0 H ASP A 28 -19.577 7.623 0.382 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.890 6.096 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.023 8.587 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.431 8.735 -0.036 1.00 0.00 H new ATOM 367 N PHE A 29 -16.019 5.467 0.139 1.00 0.00 N ATOM 368 CA PHE A 29 -15.147 4.809 1.105 1.00 0.00 C ATOM 369 C PHE A 29 -13.766 4.558 0.509 1.00 0.00 C ATOM 370 O PHE A 29 -13.638 3.962 -0.561 1.00 0.00 O ATOM 371 CB PHE A 29 -15.765 3.486 1.564 1.00 0.00 C ATOM 372 CG PHE A 29 -15.479 2.338 0.639 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.275 1.657 0.710 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.415 1.940 -0.303 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.009 0.601 -0.141 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.155 0.884 -1.156 1.00 0.00 C ATOM 377 CZ PHE A 29 -14.951 0.213 -1.074 1.00 0.00 C ATOM 0 H PHE A 29 -15.696 5.411 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.037 5.469 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.389 3.244 2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.844 3.610 1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.536 1.955 1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.358 2.461 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.065 0.080 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.893 0.584 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.746 -0.614 -1.738 1.00 0.00 H new ATOM 387 N VAL A 30 -12.733 5.017 1.209 1.00 0.00 N ATOM 388 CA VAL A 30 -11.360 4.842 0.750 1.00 0.00 C ATOM 389 C VAL A 30 -10.551 4.011 1.739 1.00 0.00 C ATOM 390 O VAL A 30 -10.276 4.451 2.856 1.00 0.00 O ATOM 391 CB VAL A 30 -10.661 6.199 0.543 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.017 7.160 1.667 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.154 6.012 0.447 1.00 0.00 C ATOM 0 H VAL A 30 -12.821 5.513 2.096 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.409 4.318 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.011 6.630 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.514 8.113 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.096 7.317 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.697 6.739 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.676 6.981 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.784 5.560 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.921 5.361 -0.396 1.00 0.00 H new ATOM 403 N LEU A 31 -10.173 2.808 1.322 1.00 0.00 N ATOM 404 CA LEU A 31 -9.394 1.914 2.172 1.00 0.00 C ATOM 405 C LEU A 31 -7.973 2.438 2.356 1.00 0.00 C ATOM 406 O LEU A 31 -7.190 2.481 1.408 1.00 0.00 O ATOM 407 CB LEU A 31 -9.357 0.509 1.569 1.00 0.00 C ATOM 408 CG LEU A 31 -10.686 -0.246 1.545 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.709 -1.251 0.403 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.928 -0.943 2.876 1.00 0.00 C ATOM 0 H LEU A 31 -10.393 2.429 0.401 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.875 1.871 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.986 0.584 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.634 -0.086 2.128 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.488 0.474 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.663 -1.779 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.583 -0.728 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.898 -1.968 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.879 -1.475 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.122 -1.652 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.957 -0.202 3.675 1.00 0.00 H new ATOM 422 N GLN A 32 -7.648 2.834 3.583 1.00 0.00 N ATOM 423 CA GLN A 32 -6.321 3.354 3.891 1.00 0.00 C ATOM 424 C GLN A 32 -5.519 2.348 4.710 1.00 0.00 C ATOM 425 O GLN A 32 -5.997 1.837 5.724 1.00 0.00 O ATOM 426 CB GLN A 32 -6.432 4.676 4.652 1.00 0.00 C ATOM 427 CG GLN A 32 -5.092 5.350 4.899 1.00 0.00 C ATOM 428 CD GLN A 32 -5.093 6.210 6.147 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.710 5.862 7.155 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.401 7.342 6.087 1.00 0.00 N ATOM 0 H GLN A 32 -8.285 2.805 4.379 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.799 3.528 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.073 5.356 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.920 4.495 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.317 4.588 4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.835 5.967 4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.904 7.591 5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.366 7.962 6.896 1.00 0.00 H new ATOM 439 N CYS A 33 -4.300 2.067 4.264 1.00 0.00 N ATOM 440 CA CYS A 33 -3.432 1.121 4.956 1.00 0.00 C ATOM 441 C CYS A 33 -1.988 1.611 4.960 1.00 0.00 C ATOM 442 O CYS A 33 -1.591 2.413 4.115 1.00 0.00 O ATOM 443 CB CYS A 33 -3.514 -0.256 4.294 1.00 0.00 C ATOM 444 SG CYS A 33 -3.077 -0.259 2.540 1.00 0.00 S ATOM 0 H CYS A 33 -3.890 2.481 3.426 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.772 1.041 5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.852 -0.942 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.528 -0.641 4.406 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.175 -1.467 2.071 1.00 0.00 H new ATOM 450 N SER A 34 -1.206 1.124 5.919 1.00 0.00 N ATOM 451 CA SER A 34 0.194 1.517 6.037 1.00 0.00 C ATOM 452 C SER A 34 1.103 0.495 5.362 1.00 0.00 C ATOM 453 O SER A 34 1.046 -0.698 5.661 1.00 0.00 O ATOM 454 CB SER A 34 0.580 1.667 7.509 1.00 0.00 C ATOM 455 OG SER A 34 -0.405 2.392 8.224 1.00 0.00 O ATOM 0 H SER A 34 -1.518 0.457 6.625 1.00 0.00 H new ATOM 0 HA SER A 34 0.321 2.477 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.707 0.681 7.957 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.540 2.178 7.586 1.00 0.00 H new ATOM 0 HG SER A 34 -0.135 2.472 9.163 1.00 0.00 H new ATOM 461 N VAL A 35 1.944 0.972 4.449 1.00 0.00 N ATOM 462 CA VAL A 35 2.867 0.102 3.731 1.00 0.00 C ATOM 463 C VAL A 35 4.186 0.813 3.448 1.00 0.00 C ATOM 464 O VAL A 35 4.202 1.930 2.931 1.00 0.00 O ATOM 465 CB VAL A 35 2.262 -0.383 2.400 1.00 0.00 C ATOM 466 CG1 VAL A 35 1.671 0.785 1.626 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.312 -1.106 1.570 1.00 0.00 C ATOM 0 H VAL A 35 2.005 1.957 4.190 1.00 0.00 H new ATOM 0 HA VAL A 35 3.052 -0.760 4.372 1.00 0.00 H new ATOM 0 HB VAL A 35 1.459 -1.086 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.248 0.424 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.888 1.256 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.453 1.514 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.867 -1.442 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.138 -0.427 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.684 -1.968 2.124 1.00 0.00 H new ATOM 477 N ARG A 36 5.290 0.159 3.791 1.00 0.00 N ATOM 478 CA ARG A 36 6.615 0.729 3.575 1.00 0.00 C ATOM 479 C ARG A 36 7.519 -0.259 2.844 1.00 0.00 C ATOM 480 O ARG A 36 7.258 -1.461 2.829 1.00 0.00 O ATOM 481 CB ARG A 36 7.247 1.124 4.911 1.00 0.00 C ATOM 482 CG ARG A 36 6.389 2.070 5.735 1.00 0.00 C ATOM 483 CD ARG A 36 7.049 2.406 7.063 1.00 0.00 C ATOM 484 NE ARG A 36 7.342 1.210 7.848 1.00 0.00 N ATOM 485 CZ ARG A 36 8.146 1.203 8.905 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.733 2.324 9.303 1.00 0.00 N ATOM 487 NH2 ARG A 36 8.363 0.074 9.568 1.00 0.00 N ATOM 0 H ARG A 36 5.294 -0.766 4.220 1.00 0.00 H new ATOM 0 HA ARG A 36 6.504 1.619 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.440 0.223 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.212 1.594 4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.213 2.987 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.415 1.615 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.973 2.954 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.396 3.064 7.636 1.00 0.00 H new ATOM 0 HE ARG A 36 6.905 0.332 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.567 3.194 8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.350 2.316 10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.912 -0.790 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.981 0.070 10.380 1.00 0.00 H new ATOM 501 N GLY A 37 8.584 0.258 2.238 1.00 0.00 N ATOM 502 CA GLY A 37 9.510 -0.592 1.513 1.00 0.00 C ATOM 503 C GLY A 37 10.363 0.186 0.531 1.00 0.00 C ATOM 504 O GLY A 37 9.904 1.159 -0.068 1.00 0.00 O ATOM 0 H GLY A 37 8.822 1.250 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.157 -1.108 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.951 -1.358 0.976 1.00 0.00 H new ATOM 508 N THR A 38 11.611 -0.241 0.365 1.00 0.00 N ATOM 509 CA THR A 38 12.531 0.424 -0.550 1.00 0.00 C ATOM 510 C THR A 38 13.209 -0.581 -1.474 1.00 0.00 C ATOM 511 O THR A 38 13.849 -1.535 -1.031 1.00 0.00 O ATOM 512 CB THR A 38 13.612 1.211 0.215 1.00 0.00 C ATOM 513 OG1 THR A 38 13.055 2.417 0.748 1.00 0.00 O ATOM 514 CG2 THR A 38 14.783 1.546 -0.696 1.00 0.00 C ATOM 0 H THR A 38 12.008 -1.044 0.852 1.00 0.00 H new ATOM 0 HA THR A 38 11.939 1.119 -1.145 1.00 0.00 H new ATOM 0 HB THR A 38 13.975 0.587 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.748 2.911 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.534 2.102 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.223 0.624 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.432 2.152 -1.531 1.00 0.00 H new ATOM 522 N PRO A 39 13.068 -0.364 -2.790 1.00 0.00 N ATOM 523 CA PRO A 39 12.309 0.768 -3.329 1.00 0.00 C ATOM 524 C PRO A 39 10.809 0.625 -3.093 1.00 0.00 C ATOM 525 O PRO A 39 10.347 -0.387 -2.566 1.00 0.00 O ATOM 526 CB PRO A 39 12.621 0.724 -4.827 1.00 0.00 C ATOM 527 CG PRO A 39 12.968 -0.699 -5.100 1.00 0.00 C ATOM 528 CD PRO A 39 13.639 -1.207 -3.854 1.00 0.00 C ATOM 0 HA PRO A 39 12.584 1.708 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.764 1.043 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.448 1.388 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.075 -1.282 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.631 -0.781 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.428 -2.263 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.723 -1.103 -3.911 1.00 0.00 H new ATOM 536 N VAL A 40 10.053 1.645 -3.486 1.00 0.00 N ATOM 537 CA VAL A 40 8.604 1.632 -3.318 1.00 0.00 C ATOM 538 C VAL A 40 7.979 0.440 -4.034 1.00 0.00 C ATOM 539 O VAL A 40 8.104 0.278 -5.248 1.00 0.00 O ATOM 540 CB VAL A 40 7.966 2.929 -3.850 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.451 2.867 -3.730 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.519 4.137 -3.108 1.00 0.00 C ATOM 0 H VAL A 40 10.419 2.491 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 40 8.410 1.553 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 40 8.219 3.032 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.018 3.792 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.074 2.024 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.174 2.740 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.058 5.045 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.298 4.044 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.598 4.189 -3.251 1.00 0.00 H new ATOM 552 N PRO A 41 7.288 -0.416 -3.266 1.00 0.00 N ATOM 553 CA PRO A 41 6.628 -1.608 -3.806 1.00 0.00 C ATOM 554 C PRO A 41 5.423 -1.261 -4.673 1.00 0.00 C ATOM 555 O PRO A 41 4.793 -0.219 -4.488 1.00 0.00 O ATOM 556 CB PRO A 41 6.184 -2.366 -2.552 1.00 0.00 C ATOM 557 CG PRO A 41 6.049 -1.317 -1.503 1.00 0.00 C ATOM 558 CD PRO A 41 7.099 -0.285 -1.812 1.00 0.00 C ATOM 0 HA PRO A 41 7.290 -2.181 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.240 -2.885 -2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.917 -3.121 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.052 -0.876 -1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.196 -1.738 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.770 0.717 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.024 -0.477 -1.268 1.00 0.00 H new ATOM 566 N ARG A 42 5.107 -2.140 -5.619 1.00 0.00 N ATOM 567 CA ARG A 42 3.977 -1.925 -6.515 1.00 0.00 C ATOM 568 C ARG A 42 2.656 -2.159 -5.789 1.00 0.00 C ATOM 569 O ARG A 42 2.429 -3.229 -5.222 1.00 0.00 O ATOM 570 CB ARG A 42 4.077 -2.852 -7.727 1.00 0.00 C ATOM 571 CG ARG A 42 4.977 -2.318 -8.830 1.00 0.00 C ATOM 572 CD ARG A 42 6.441 -2.352 -8.420 1.00 0.00 C ATOM 573 NE ARG A 42 7.323 -1.932 -9.505 1.00 0.00 N ATOM 574 CZ ARG A 42 8.557 -1.479 -9.315 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.053 -1.389 -8.089 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.299 -1.115 -10.354 1.00 0.00 N ATOM 0 H ARG A 42 5.618 -3.007 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 42 4.006 -0.890 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.452 -3.822 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.078 -3.016 -8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.837 -2.911 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.690 -1.295 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.591 -1.702 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.707 -3.362 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 42 6.972 -1.990 -10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.487 -1.668 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.001 -1.041 -7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.921 -1.183 -11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.247 -0.767 -10.207 1.00 0.00 H new ATOM 590 N ILE A 43 1.788 -1.153 -5.811 1.00 0.00 N ATOM 591 CA ILE A 43 0.490 -1.251 -5.156 1.00 0.00 C ATOM 592 C ILE A 43 -0.590 -1.691 -6.139 1.00 0.00 C ATOM 593 O ILE A 43 -1.005 -0.924 -7.008 1.00 0.00 O ATOM 594 CB ILE A 43 0.076 0.091 -4.523 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.214 0.647 -3.665 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.186 -0.082 -3.691 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.739 -0.338 -2.645 1.00 0.00 C ATOM 0 H ILE A 43 1.960 -0.261 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 43 0.589 -1.999 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.134 0.803 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.032 0.954 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.865 1.541 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.465 0.875 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.996 -0.439 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.002 -0.807 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.544 0.124 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.933 -0.627 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.119 -1.223 -3.156 1.00 0.00 H new ATOM 609 N THR A 44 -1.045 -2.932 -5.994 1.00 0.00 N ATOM 610 CA THR A 44 -2.077 -3.474 -6.867 1.00 0.00 C ATOM 611 C THR A 44 -3.220 -4.078 -6.059 1.00 0.00 C ATOM 612 O THR A 44 -3.008 -4.967 -5.234 1.00 0.00 O ATOM 613 CB THR A 44 -1.507 -4.551 -7.810 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.396 -4.021 -8.543 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.572 -5.042 -8.778 1.00 0.00 C ATOM 0 H THR A 44 -0.714 -3.580 -5.279 1.00 0.00 H new ATOM 0 HA THR A 44 -2.455 -2.643 -7.462 1.00 0.00 H new ATOM 0 HB THR A 44 -1.174 -5.394 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.038 -4.712 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.146 -5.802 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.403 -5.471 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.932 -4.206 -9.378 1.00 0.00 H new ATOM 623 N TRP A 45 -4.431 -3.589 -6.301 1.00 0.00 N ATOM 624 CA TRP A 45 -5.609 -4.082 -5.595 1.00 0.00 C ATOM 625 C TRP A 45 -6.352 -5.117 -6.432 1.00 0.00 C ATOM 626 O TRP A 45 -6.549 -4.932 -7.634 1.00 0.00 O ATOM 627 CB TRP A 45 -6.543 -2.921 -5.248 1.00 0.00 C ATOM 628 CG TRP A 45 -5.884 -1.852 -4.431 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.975 -0.930 -4.866 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.082 -1.596 -3.036 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.596 -0.116 -3.826 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.261 -0.503 -2.693 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.873 -2.181 -2.044 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.210 0.012 -1.400 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.822 -1.668 -0.762 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.996 -0.580 -0.449 1.00 0.00 C ATOM 0 H TRP A 45 -4.623 -2.852 -6.980 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.277 -4.560 -4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.922 -2.481 -6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.403 -3.307 -4.702 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.608 -0.852 -5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.928 0.652 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.513 -3.020 -2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.573 0.849 -1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.429 -2.113 0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.979 -0.201 0.562 1.00 0.00 H new ATOM 647 N LEU A 46 -6.764 -6.205 -5.791 1.00 0.00 N ATOM 648 CA LEU A 46 -7.487 -7.270 -6.477 1.00 0.00 C ATOM 649 C LEU A 46 -8.818 -7.555 -5.790 1.00 0.00 C ATOM 650 O LEU A 46 -8.892 -7.632 -4.563 1.00 0.00 O ATOM 651 CB LEU A 46 -6.639 -8.543 -6.521 1.00 0.00 C ATOM 652 CG LEU A 46 -5.277 -8.419 -7.204 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.287 -9.405 -6.603 1.00 0.00 C ATOM 654 CD2 LEU A 46 -5.410 -8.641 -8.703 1.00 0.00 C ATOM 0 H LEU A 46 -6.610 -6.373 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.689 -6.940 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.480 -8.885 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.210 -9.318 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.899 -7.410 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.323 -9.302 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.169 -9.199 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.658 -10.421 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.431 -8.549 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.810 -9.638 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.085 -7.895 -9.123 1.00 0.00 H new ATOM 666 N LEU A 47 -9.868 -7.713 -6.588 1.00 0.00 N ATOM 667 CA LEU A 47 -11.198 -7.992 -6.057 1.00 0.00 C ATOM 668 C LEU A 47 -11.681 -9.370 -6.497 1.00 0.00 C ATOM 669 O LEU A 47 -11.692 -9.685 -7.686 1.00 0.00 O ATOM 670 CB LEU A 47 -12.188 -6.921 -6.518 1.00 0.00 C ATOM 671 CG LEU A 47 -13.568 -6.956 -5.861 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.578 -6.114 -4.595 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.634 -6.472 -6.834 1.00 0.00 C ATOM 0 H LEU A 47 -9.824 -7.653 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.138 -7.978 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.745 -5.942 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.318 -7.015 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.794 -7.987 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.568 -6.151 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.842 -6.505 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.331 -5.082 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.610 -6.504 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.412 -5.449 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.644 -7.117 -7.713 1.00 0.00 H new ATOM 685 N ASN A 48 -12.082 -10.188 -5.528 1.00 0.00 N ATOM 686 CA ASN A 48 -12.569 -11.532 -5.816 1.00 0.00 C ATOM 687 C ASN A 48 -11.650 -12.244 -6.804 1.00 0.00 C ATOM 688 O ASN A 48 -12.095 -13.074 -7.595 1.00 0.00 O ATOM 689 CB ASN A 48 -13.991 -11.473 -6.377 1.00 0.00 C ATOM 690 CG ASN A 48 -14.070 -10.689 -7.672 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.521 -11.100 -8.694 1.00 0.00 O ATOM 692 ND2 ASN A 48 -14.755 -9.552 -7.634 1.00 0.00 N ATOM 0 H ASN A 48 -12.079 -9.943 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.577 -12.096 -4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.354 -12.487 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.651 -11.017 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.842 -8.981 -8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.194 -9.250 -6.764 1.00 0.00 H new ATOM 699 N GLY A 49 -10.363 -11.913 -6.751 1.00 0.00 N ATOM 700 CA GLY A 49 -9.401 -12.529 -7.645 1.00 0.00 C ATOM 701 C GLY A 49 -9.404 -11.899 -9.024 1.00 0.00 C ATOM 702 O GLY A 49 -9.308 -12.598 -10.032 1.00 0.00 O ATOM 0 H GLY A 49 -9.970 -11.229 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.404 -12.446 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.622 -13.593 -7.734 1.00 0.00 H new ATOM 706 N GLN A 50 -9.517 -10.575 -9.067 1.00 0.00 N ATOM 707 CA GLN A 50 -9.535 -9.852 -10.333 1.00 0.00 C ATOM 708 C GLN A 50 -8.871 -8.487 -10.190 1.00 0.00 C ATOM 709 O GLN A 50 -9.188 -7.707 -9.291 1.00 0.00 O ATOM 710 CB GLN A 50 -10.972 -9.684 -10.828 1.00 0.00 C ATOM 711 CG GLN A 50 -11.665 -11.000 -11.144 1.00 0.00 C ATOM 712 CD GLN A 50 -11.423 -11.460 -12.568 1.00 0.00 C ATOM 713 OE1 GLN A 50 -10.563 -12.304 -12.822 1.00 0.00 O ATOM 714 NE2 GLN A 50 -12.182 -10.907 -13.507 1.00 0.00 N ATOM 0 H GLN A 50 -9.597 -9.982 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.973 -10.434 -11.063 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.548 -9.152 -10.071 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.969 -9.061 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.313 -11.767 -10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.737 -10.891 -10.979 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.883 -10.211 -13.252 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.064 -11.178 -14.483 1.00 0.00 H new ATOM 723 N PRO A 51 -7.928 -8.188 -11.095 1.00 0.00 N ATOM 724 CA PRO A 51 -7.200 -6.916 -11.090 1.00 0.00 C ATOM 725 C PRO A 51 -8.087 -5.739 -11.482 1.00 0.00 C ATOM 726 O PRO A 51 -8.582 -5.671 -12.607 1.00 0.00 O ATOM 727 CB PRO A 51 -6.103 -7.131 -12.137 1.00 0.00 C ATOM 728 CG PRO A 51 -6.650 -8.172 -13.051 1.00 0.00 C ATOM 729 CD PRO A 51 -7.500 -9.070 -12.194 1.00 0.00 C ATOM 0 HA PRO A 51 -6.820 -6.668 -10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.883 -6.209 -12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.173 -7.460 -11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.240 -7.720 -13.848 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.847 -8.734 -13.528 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.352 -9.465 -12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.935 -9.926 -11.825 1.00 0.00 H new ATOM 737 N ILE A 52 -8.282 -4.815 -10.548 1.00 0.00 N ATOM 738 CA ILE A 52 -9.108 -3.640 -10.797 1.00 0.00 C ATOM 739 C ILE A 52 -8.461 -2.722 -11.829 1.00 0.00 C ATOM 740 O ILE A 52 -7.253 -2.490 -11.796 1.00 0.00 O ATOM 741 CB ILE A 52 -9.358 -2.843 -9.503 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.865 -3.771 -8.397 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.353 -1.720 -9.757 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.040 -3.080 -7.063 1.00 0.00 C ATOM 0 H ILE A 52 -7.879 -4.857 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.062 -4.001 -11.182 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.416 -2.401 -9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.819 -4.200 -8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.166 -4.599 -8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.520 -1.166 -8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.956 -1.047 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.297 -2.141 -10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.402 -3.797 -6.326 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.083 -2.674 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.762 -2.270 -7.165 1.00 0.00 H new ATOM 756 N GLN A 53 -9.275 -2.202 -12.743 1.00 0.00 N ATOM 757 CA GLN A 53 -8.781 -1.309 -13.784 1.00 0.00 C ATOM 758 C GLN A 53 -9.020 0.150 -13.407 1.00 0.00 C ATOM 759 O GLN A 53 -8.195 1.018 -13.693 1.00 0.00 O ATOM 760 CB GLN A 53 -9.462 -1.621 -15.118 1.00 0.00 C ATOM 761 CG GLN A 53 -9.359 -3.081 -15.526 1.00 0.00 C ATOM 762 CD GLN A 53 -9.618 -3.294 -17.004 1.00 0.00 C ATOM 763 OE1 GLN A 53 -8.751 -3.773 -17.736 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.816 -2.938 -17.453 1.00 0.00 N ATOM 0 H GLN A 53 -10.278 -2.384 -12.783 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.708 -1.468 -13.886 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.514 -1.344 -15.053 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.017 -1.002 -15.897 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.365 -3.454 -15.278 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.073 -3.667 -14.948 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.505 -2.545 -16.812 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.047 -3.058 -18.439 1.00 0.00 H new ATOM 773 N TYR A 54 -10.153 0.412 -12.765 1.00 0.00 N ATOM 774 CA TYR A 54 -10.501 1.766 -12.351 1.00 0.00 C ATOM 775 C TYR A 54 -10.135 2.000 -10.889 1.00 0.00 C ATOM 776 O TYR A 54 -10.897 2.607 -10.136 1.00 0.00 O ATOM 777 CB TYR A 54 -11.995 2.018 -12.562 1.00 0.00 C ATOM 778 CG TYR A 54 -12.882 1.151 -11.698 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.135 -0.173 -12.037 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.468 1.654 -10.543 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.946 -0.969 -11.251 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.279 0.865 -9.750 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.515 -0.445 -10.109 1.00 0.00 C ATOM 784 OH TYR A 54 -15.323 -1.235 -9.323 1.00 0.00 O ATOM 0 H TYR A 54 -10.846 -0.295 -12.520 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.932 2.464 -12.965 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.211 3.066 -12.354 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.240 1.844 -13.610 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.690 -0.587 -12.930 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.286 2.680 -10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.133 -1.996 -11.529 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.725 1.272 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.643 -0.715 -8.556 1.00 0.00 H new ATOM 794 N ALA A 55 -8.963 1.515 -10.494 1.00 0.00 N ATOM 795 CA ALA A 55 -8.493 1.673 -9.123 1.00 0.00 C ATOM 796 C ALA A 55 -7.610 2.908 -8.984 1.00 0.00 C ATOM 797 O ALA A 55 -6.410 2.857 -9.252 1.00 0.00 O ATOM 798 CB ALA A 55 -7.739 0.429 -8.677 1.00 0.00 C ATOM 0 H ALA A 55 -8.321 1.009 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.363 1.807 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.394 0.561 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.401 -0.436 -8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.882 0.269 -9.331 1.00 0.00 H new ATOM 804 N ARG A 56 -8.212 4.016 -8.563 1.00 0.00 N ATOM 805 CA ARG A 56 -7.479 5.264 -8.391 1.00 0.00 C ATOM 806 C ARG A 56 -6.910 5.370 -6.979 1.00 0.00 C ATOM 807 O ARG A 56 -7.461 6.069 -6.128 1.00 0.00 O ATOM 808 CB ARG A 56 -8.392 6.459 -8.675 1.00 0.00 C ATOM 809 CG ARG A 56 -8.548 6.767 -10.155 1.00 0.00 C ATOM 810 CD ARG A 56 -9.430 7.985 -10.381 1.00 0.00 C ATOM 811 NE ARG A 56 -10.822 7.726 -10.024 1.00 0.00 N ATOM 812 CZ ARG A 56 -11.745 8.677 -9.930 1.00 0.00 C ATOM 813 NH1 ARG A 56 -11.426 9.942 -10.165 1.00 0.00 N ATOM 814 NH2 ARG A 56 -12.992 8.362 -9.601 1.00 0.00 N ATOM 0 H ARG A 56 -9.204 4.074 -8.335 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.651 5.271 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.375 6.264 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.993 7.338 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.567 6.940 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.979 5.905 -10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.053 8.820 -9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.374 8.284 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.101 6.763 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.469 10.188 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.137 10.669 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.242 7.390 -9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.700 9.092 -9.529 1.00 0.00 H new ATOM 828 N SER A 57 -5.805 4.672 -6.738 1.00 0.00 N ATOM 829 CA SER A 57 -5.164 4.684 -5.428 1.00 0.00 C ATOM 830 C SER A 57 -4.092 5.766 -5.358 1.00 0.00 C ATOM 831 O SER A 57 -3.644 6.281 -6.383 1.00 0.00 O ATOM 832 CB SER A 57 -4.546 3.317 -5.127 1.00 0.00 C ATOM 833 OG SER A 57 -3.435 3.440 -4.256 1.00 0.00 O ATOM 0 H SER A 57 -5.335 4.091 -7.432 1.00 0.00 H new ATOM 0 HA SER A 57 -5.926 4.903 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.296 2.667 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.232 2.844 -6.057 1.00 0.00 H new ATOM 0 HG SER A 57 -3.751 3.525 -3.332 1.00 0.00 H new ATOM 839 N THR A 58 -3.683 6.108 -4.140 1.00 0.00 N ATOM 840 CA THR A 58 -2.664 7.130 -3.934 1.00 0.00 C ATOM 841 C THR A 58 -1.777 6.789 -2.743 1.00 0.00 C ATOM 842 O THR A 58 -2.255 6.666 -1.615 1.00 0.00 O ATOM 843 CB THR A 58 -3.297 8.516 -3.708 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.302 8.436 -2.692 1.00 0.00 O ATOM 845 CG2 THR A 58 -3.911 9.047 -4.995 1.00 0.00 C ATOM 0 H THR A 58 -4.042 5.692 -3.281 1.00 0.00 H new ATOM 0 HA THR A 58 -2.057 7.159 -4.839 1.00 0.00 H new ATOM 0 HB THR A 58 -2.512 9.202 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.963 7.911 -1.937 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.352 10.027 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.138 9.135 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.684 8.360 -5.340 1.00 0.00 H new ATOM 853 N CYS A 59 -0.482 6.638 -3.000 1.00 0.00 N ATOM 854 CA CYS A 59 0.473 6.311 -1.947 1.00 0.00 C ATOM 855 C CYS A 59 1.242 7.553 -1.505 1.00 0.00 C ATOM 856 O CYS A 59 1.973 8.153 -2.291 1.00 0.00 O ATOM 857 CB CYS A 59 1.450 5.238 -2.431 1.00 0.00 C ATOM 858 SG CYS A 59 2.351 5.684 -3.934 1.00 0.00 S ATOM 0 H CYS A 59 -0.070 6.737 -3.928 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.084 5.927 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.168 5.031 -1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.899 4.315 -2.611 1.00 0.00 H new ATOM 0 HG CYS A 59 2.642 6.951 -3.906 1.00 0.00 H new ATOM 864 N GLU A 60 1.068 7.932 -0.243 1.00 0.00 N ATOM 865 CA GLU A 60 1.743 9.104 0.302 1.00 0.00 C ATOM 866 C GLU A 60 2.423 8.773 1.627 1.00 0.00 C ATOM 867 O GLU A 60 1.780 8.303 2.566 1.00 0.00 O ATOM 868 CB GLU A 60 0.747 10.249 0.499 1.00 0.00 C ATOM 869 CG GLU A 60 0.612 11.153 -0.714 1.00 0.00 C ATOM 870 CD GLU A 60 -0.609 12.049 -0.641 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.650 11.593 -0.123 1.00 0.00 O ATOM 872 OE2 GLU A 60 -0.524 13.206 -1.103 1.00 0.00 O ATOM 0 H GLU A 60 0.466 7.445 0.421 1.00 0.00 H new ATOM 0 HA GLU A 60 2.507 9.415 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.230 9.832 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.059 10.848 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.506 11.770 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.556 10.541 -1.614 1.00 0.00 H new ATOM 879 N ALA A 61 3.727 9.021 1.695 1.00 0.00 N ATOM 880 CA ALA A 61 4.494 8.751 2.905 1.00 0.00 C ATOM 881 C ALA A 61 4.267 7.323 3.391 1.00 0.00 C ATOM 882 O ALA A 61 4.115 7.082 4.588 1.00 0.00 O ATOM 883 CB ALA A 61 4.127 9.746 3.995 1.00 0.00 C ATOM 0 H ALA A 61 4.274 9.408 0.926 1.00 0.00 H new ATOM 0 HA ALA A 61 5.552 8.863 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.707 9.533 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.346 10.758 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.064 9.662 4.221 1.00 0.00 H new ATOM 889 N GLY A 62 4.247 6.380 2.455 1.00 0.00 N ATOM 890 CA GLY A 62 4.037 4.988 2.808 1.00 0.00 C ATOM 891 C GLY A 62 2.615 4.710 3.253 1.00 0.00 C ATOM 892 O GLY A 62 2.376 3.828 4.078 1.00 0.00 O ATOM 0 H GLY A 62 4.372 6.555 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.275 4.359 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.725 4.711 3.607 1.00 0.00 H new ATOM 896 N VAL A 63 1.668 5.465 2.706 1.00 0.00 N ATOM 897 CA VAL A 63 0.261 5.297 3.051 1.00 0.00 C ATOM 898 C VAL A 63 -0.579 5.015 1.811 1.00 0.00 C ATOM 899 O VAL A 63 -1.044 5.937 1.141 1.00 0.00 O ATOM 900 CB VAL A 63 -0.296 6.544 3.763 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.768 6.356 4.096 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.510 6.845 5.018 1.00 0.00 C ATOM 0 H VAL A 63 1.849 6.199 2.022 1.00 0.00 H new ATOM 0 HA VAL A 63 0.201 4.445 3.728 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.207 7.396 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.144 7.247 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.331 6.193 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.885 5.493 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.103 7.729 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.455 5.995 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.550 7.027 4.748 1.00 0.00 H new ATOM 912 N ALA A 64 -0.771 3.734 1.511 1.00 0.00 N ATOM 913 CA ALA A 64 -1.558 3.331 0.352 1.00 0.00 C ATOM 914 C ALA A 64 -3.045 3.570 0.588 1.00 0.00 C ATOM 915 O ALA A 64 -3.575 3.240 1.649 1.00 0.00 O ATOM 916 CB ALA A 64 -1.302 1.867 0.024 1.00 0.00 C ATOM 0 H ALA A 64 -0.392 2.958 2.054 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.249 3.942 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.896 1.579 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.244 1.723 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.582 1.249 0.877 1.00 0.00 H new ATOM 922 N GLU A 65 -3.713 4.146 -0.407 1.00 0.00 N ATOM 923 CA GLU A 65 -5.139 4.430 -0.305 1.00 0.00 C ATOM 924 C GLU A 65 -5.851 4.116 -1.617 1.00 0.00 C ATOM 925 O GLU A 65 -5.269 4.232 -2.697 1.00 0.00 O ATOM 926 CB GLU A 65 -5.364 5.896 0.072 1.00 0.00 C ATOM 927 CG GLU A 65 -4.491 6.369 1.222 1.00 0.00 C ATOM 928 CD GLU A 65 -4.999 7.652 1.851 1.00 0.00 C ATOM 929 OE1 GLU A 65 -4.593 8.740 1.393 1.00 0.00 O ATOM 930 OE2 GLU A 65 -5.804 7.567 2.802 1.00 0.00 O ATOM 0 H GLU A 65 -3.289 4.425 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.555 3.794 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.171 6.521 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.411 6.037 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.445 5.590 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.474 6.523 0.861 1.00 0.00 H new ATOM 937 N LEU A 66 -7.115 3.717 -1.517 1.00 0.00 N ATOM 938 CA LEU A 66 -7.908 3.385 -2.696 1.00 0.00 C ATOM 939 C LEU A 66 -9.286 4.036 -2.625 1.00 0.00 C ATOM 940 O LEU A 66 -10.196 3.517 -1.979 1.00 0.00 O ATOM 941 CB LEU A 66 -8.054 1.868 -2.826 1.00 0.00 C ATOM 942 CG LEU A 66 -8.963 1.375 -3.952 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.241 1.442 -5.289 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.439 -0.042 -3.672 1.00 0.00 C ATOM 0 H LEU A 66 -7.612 3.616 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.389 3.770 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.063 1.439 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.434 1.478 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.835 2.027 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.904 1.087 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.951 2.472 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.350 0.814 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.085 -0.376 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.578 -0.707 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.995 -0.060 -2.735 1.00 0.00 H new ATOM 956 N HIS A 67 -9.432 5.173 -3.297 1.00 0.00 N ATOM 957 CA HIS A 67 -10.700 5.894 -3.313 1.00 0.00 C ATOM 958 C HIS A 67 -11.751 5.127 -4.111 1.00 0.00 C ATOM 959 O HIS A 67 -11.590 4.902 -5.311 1.00 0.00 O ATOM 960 CB HIS A 67 -10.511 7.290 -3.907 1.00 0.00 C ATOM 961 CG HIS A 67 -9.760 8.226 -3.010 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.383 9.132 -2.179 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.431 8.391 -2.816 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.469 9.816 -1.513 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.277 9.385 -1.882 1.00 0.00 N ATOM 0 H HIS A 67 -8.688 5.615 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.048 5.990 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.980 7.204 -4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.489 7.718 -4.128 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.639 7.843 -3.305 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.664 10.595 -0.790 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.386 9.734 -1.530 1.00 0.00 H new ATOM 974 N ILE A 68 -12.824 4.728 -3.437 1.00 0.00 N ATOM 975 CA ILE A 68 -13.899 3.987 -4.083 1.00 0.00 C ATOM 976 C ILE A 68 -15.246 4.668 -3.863 1.00 0.00 C ATOM 977 O ILE A 68 -15.814 4.602 -2.773 1.00 0.00 O ATOM 978 CB ILE A 68 -13.978 2.539 -3.563 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.646 1.821 -3.788 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.111 1.791 -4.248 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.318 1.597 -5.248 1.00 0.00 C ATOM 0 H ILE A 68 -12.972 4.906 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.673 3.969 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.181 2.563 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.847 2.404 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.671 0.858 -3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.154 0.770 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.056 2.294 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.937 1.773 -5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.360 1.083 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.097 0.988 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.260 2.558 -5.759 1.00 0.00 H new ATOM 993 N GLN A 69 -15.751 5.320 -4.905 1.00 0.00 N ATOM 994 CA GLN A 69 -17.031 6.012 -4.825 1.00 0.00 C ATOM 995 C GLN A 69 -18.162 5.125 -5.336 1.00 0.00 C ATOM 996 O GLN A 69 -17.924 4.136 -6.028 1.00 0.00 O ATOM 997 CB GLN A 69 -16.984 7.312 -5.630 1.00 0.00 C ATOM 998 CG GLN A 69 -16.605 7.111 -7.089 1.00 0.00 C ATOM 999 CD GLN A 69 -17.068 8.251 -7.974 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -17.948 9.026 -7.599 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.475 8.360 -9.157 1.00 0.00 N ATOM 0 H GLN A 69 -15.293 5.383 -5.814 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.223 6.248 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.959 7.796 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.267 7.990 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.523 7.011 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.039 6.178 -7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.750 7.695 -9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.744 9.108 -9.795 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.393 5.486 -4.989 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.561 4.723 -5.413 1.00 0.00 C ATOM 1012 C ASP A 70 -20.435 3.261 -4.998 1.00 0.00 C ATOM 1013 O ASP A 70 -20.583 2.357 -5.820 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.739 4.823 -6.929 1.00 0.00 C ATOM 1015 CG ASP A 70 -22.123 4.397 -7.378 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -23.110 5.019 -6.931 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.220 3.442 -8.177 1.00 0.00 O ATOM 0 H ASP A 70 -19.607 6.302 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.438 5.146 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.557 5.850 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -19.992 4.200 -7.422 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.161 3.036 -3.717 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.016 1.684 -3.192 1.00 0.00 C ATOM 1024 C ALA A 71 -21.254 0.844 -3.489 1.00 0.00 C ATOM 1025 O ALA A 71 -22.243 0.897 -2.756 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.750 1.724 -1.695 1.00 0.00 C ATOM 0 H ALA A 71 -20.035 3.773 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.165 1.218 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.644 0.707 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.832 2.280 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.583 2.214 -1.190 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.194 0.071 -4.568 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.312 -0.780 -4.962 1.00 0.00 C ATOM 1034 C LEU A 72 -22.257 -2.121 -4.237 1.00 0.00 C ATOM 1035 O LEU A 72 -21.203 -2.567 -3.784 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.298 -1.004 -6.475 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.808 0.156 -7.330 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.437 -0.054 -8.790 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.314 0.311 -7.177 1.00 0.00 C ATOM 0 H LEU A 72 -20.384 0.016 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.237 -0.276 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.276 -1.231 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.900 -1.885 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.332 1.074 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.808 0.781 -9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.353 -0.113 -8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.884 -0.981 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.659 1.142 -7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.808 -0.607 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.555 0.509 -6.133 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.420 -2.780 -4.124 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.530 -4.081 -3.458 1.00 0.00 C ATOM 1053 C PRO A 73 -22.861 -5.198 -4.251 1.00 0.00 C ATOM 1054 O PRO A 73 -22.731 -6.322 -3.768 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.042 -4.313 -3.380 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.606 -3.512 -4.502 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.716 -2.308 -4.640 1.00 0.00 C ATOM 0 HA PRO A 73 -23.033 -4.085 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.286 -5.370 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.444 -3.988 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.624 -4.092 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.634 -3.216 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.640 -1.981 -5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.093 -1.462 -4.066 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.437 -4.880 -5.470 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.781 -5.858 -6.330 1.00 0.00 C ATOM 1067 C GLU A 74 -20.263 -5.741 -6.227 1.00 0.00 C ATOM 1068 O GLU A 74 -19.535 -6.691 -6.518 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.220 -5.669 -7.783 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.804 -4.333 -8.376 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.107 -4.234 -9.859 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -21.445 -4.940 -10.647 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -23.005 -3.449 -10.230 1.00 0.00 O ATOM 0 H GLU A 74 -22.536 -3.953 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.076 -6.853 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.800 -6.472 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.305 -5.761 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.319 -3.530 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.736 -4.186 -8.216 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.792 -4.570 -5.811 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.361 -4.328 -5.668 1.00 0.00 C ATOM 1082 C ASP A 75 -17.802 -5.071 -4.459 1.00 0.00 C ATOM 1083 O ASP A 75 -16.663 -5.538 -4.476 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.087 -2.830 -5.534 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.991 -2.136 -6.879 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.879 -2.092 -7.446 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -19.028 -1.638 -7.365 1.00 0.00 O ATOM 0 H ASP A 75 -20.381 -3.774 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.863 -4.702 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.881 -2.369 -4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.157 -2.681 -4.985 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.611 -5.174 -3.409 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.197 -5.859 -2.189 1.00 0.00 C ATOM 1094 C HIS A 76 -17.504 -7.179 -2.516 1.00 0.00 C ATOM 1095 O HIS A 76 -17.949 -7.926 -3.387 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.404 -6.113 -1.287 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.088 -7.419 -1.554 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.548 -7.786 -2.802 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.388 -8.447 -0.727 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.102 -8.983 -2.729 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.018 -9.406 -1.481 1.00 0.00 N ATOM 0 H HIS A 76 -19.556 -4.792 -3.378 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.489 -5.218 -1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.081 -6.088 -0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.122 -5.303 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.172 -8.503 0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.548 -9.524 -3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.365 -10.300 -1.134 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.412 -7.459 -1.812 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.676 -8.688 -2.043 1.00 0.00 C ATOM 1112 C GLY A 77 -14.445 -8.800 -1.165 1.00 0.00 C ATOM 1113 O GLY A 77 -14.532 -8.687 0.058 1.00 0.00 O ATOM 0 H GLY A 77 -16.024 -6.857 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.330 -9.540 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.377 -8.738 -3.090 1.00 0.00 H new ATOM 1117 N THR A 78 -13.293 -9.024 -1.790 1.00 0.00 N ATOM 1118 CA THR A 78 -12.039 -9.154 -1.058 1.00 0.00 C ATOM 1119 C THR A 78 -10.931 -8.340 -1.717 1.00 0.00 C ATOM 1120 O THR A 78 -10.347 -8.763 -2.716 1.00 0.00 O ATOM 1121 CB THR A 78 -11.593 -10.626 -0.965 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.618 -11.409 -0.344 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.302 -10.750 -0.171 1.00 0.00 C ATOM 0 H THR A 78 -13.203 -9.119 -2.802 1.00 0.00 H new ATOM 0 HA THR A 78 -12.218 -8.772 -0.053 1.00 0.00 H new ATOM 0 HB THR A 78 -11.416 -10.995 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.328 -12.344 -0.290 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.006 -11.798 -0.118 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.516 -10.175 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.457 -10.366 0.837 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.646 -7.173 -1.152 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.608 -6.299 -1.686 1.00 0.00 C ATOM 1133 C TYR A 79 -8.226 -6.743 -1.216 1.00 0.00 C ATOM 1134 O TYR A 79 -7.884 -6.608 -0.041 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.863 -4.851 -1.262 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.000 -4.193 -2.008 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.307 -4.283 -1.544 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.769 -3.478 -3.178 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.349 -3.684 -2.224 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.805 -2.874 -3.863 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.094 -2.980 -3.382 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.129 -2.380 -4.061 1.00 0.00 O ATOM 0 H TYR A 79 -11.119 -6.810 -0.324 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.639 -6.363 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.078 -4.827 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.954 -4.270 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.511 -4.831 -0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.762 -3.393 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.359 -3.767 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.607 -2.322 -4.770 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.779 -1.924 -4.855 1.00 0.00 H new ATOM 1152 N THR A 80 -7.435 -7.273 -2.143 1.00 0.00 N ATOM 1153 CA THR A 80 -6.090 -7.738 -1.826 1.00 0.00 C ATOM 1154 C THR A 80 -5.035 -6.781 -2.369 1.00 0.00 C ATOM 1155 O THR A 80 -4.876 -6.641 -3.582 1.00 0.00 O ATOM 1156 CB THR A 80 -5.833 -9.145 -2.396 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.728 -10.088 -1.795 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.395 -9.574 -2.150 1.00 0.00 C ATOM 0 H THR A 80 -7.702 -7.391 -3.120 1.00 0.00 H new ATOM 0 HA THR A 80 -6.017 -7.776 -0.739 1.00 0.00 H new ATOM 0 HB THR A 80 -6.007 -9.115 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.559 -10.980 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.237 -10.571 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.718 -8.870 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.198 -9.589 -1.078 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.317 -6.125 -1.464 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.275 -5.180 -1.854 1.00 0.00 C ATOM 1168 C CYS A 81 -1.910 -5.859 -1.886 1.00 0.00 C ATOM 1169 O CYS A 81 -1.306 -6.114 -0.843 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.246 -3.995 -0.888 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.037 -2.722 -1.318 1.00 0.00 S ATOM 0 H CYS A 81 -4.437 -6.229 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.504 -4.817 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.237 -3.543 -0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.029 -4.363 0.115 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.089 -1.761 -0.444 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.429 -6.151 -3.089 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.134 -6.803 -3.258 1.00 0.00 C ATOM 1179 C LEU A 82 0.982 -5.771 -3.381 1.00 0.00 C ATOM 1180 O LEU A 82 0.926 -4.879 -4.227 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.152 -7.702 -4.495 1.00 0.00 C ATOM 1182 CG LEU A 82 1.211 -8.189 -4.990 1.00 0.00 C ATOM 1183 CD1 LEU A 82 1.925 -8.973 -3.901 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.051 -9.037 -6.244 1.00 0.00 C ATOM 0 H LEU A 82 -1.915 -5.947 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 82 0.057 -7.414 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.770 -8.573 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.639 -7.161 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 82 1.818 -7.319 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.893 -9.311 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.073 -8.334 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.322 -9.836 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.031 -9.375 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.426 -9.902 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.582 -8.442 -7.028 1.00 0.00 H new ATOM 1196 N ALA A 83 1.997 -5.901 -2.533 1.00 0.00 N ATOM 1197 CA ALA A 83 3.129 -4.983 -2.549 1.00 0.00 C ATOM 1198 C ALA A 83 4.451 -5.742 -2.590 1.00 0.00 C ATOM 1199 O ALA A 83 4.902 -6.275 -1.576 1.00 0.00 O ATOM 1200 CB ALA A 83 3.082 -4.066 -1.336 1.00 0.00 C ATOM 0 H ALA A 83 2.058 -6.634 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 83 3.060 -4.376 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.933 -3.386 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.157 -3.490 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.122 -4.664 -0.426 1.00 0.00 H new ATOM 1206 N GLU A 84 5.066 -5.788 -3.767 1.00 0.00 N ATOM 1207 CA GLU A 84 6.336 -6.485 -3.939 1.00 0.00 C ATOM 1208 C GLU A 84 7.373 -5.572 -4.586 1.00 0.00 C ATOM 1209 O GLU A 84 7.061 -4.810 -5.500 1.00 0.00 O ATOM 1210 CB GLU A 84 6.143 -7.741 -4.790 1.00 0.00 C ATOM 1211 CG GLU A 84 5.895 -7.448 -6.260 1.00 0.00 C ATOM 1212 CD GLU A 84 5.801 -8.707 -7.099 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.816 -9.426 -7.207 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.711 -8.974 -7.647 1.00 0.00 O ATOM 0 H GLU A 84 4.706 -5.351 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 84 6.698 -6.776 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.027 -8.371 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.302 -8.312 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.971 -6.878 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.700 -6.821 -6.642 1.00 0.00 H new ATOM 1221 N ASN A 85 8.609 -5.656 -4.105 1.00 0.00 N ATOM 1222 CA ASN A 85 9.694 -4.838 -4.635 1.00 0.00 C ATOM 1223 C ASN A 85 10.901 -5.699 -4.991 1.00 0.00 C ATOM 1224 O ASN A 85 10.852 -6.925 -4.897 1.00 0.00 O ATOM 1225 CB ASN A 85 10.098 -3.768 -3.618 1.00 0.00 C ATOM 1226 CG ASN A 85 10.825 -4.353 -2.422 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.213 -5.521 -2.428 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.012 -3.541 -1.388 1.00 0.00 N ATOM 0 H ASN A 85 8.884 -6.283 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 85 9.338 -4.351 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.738 -3.031 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.207 -3.241 -3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.494 -3.879 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.673 -2.580 -1.427 1.00 0.00 H new ATOM 1235 N ALA A 86 11.986 -5.048 -5.399 1.00 0.00 N ATOM 1236 CA ALA A 86 13.207 -5.754 -5.767 1.00 0.00 C ATOM 1237 C ALA A 86 13.804 -6.480 -4.566 1.00 0.00 C ATOM 1238 O ALA A 86 14.605 -7.403 -4.721 1.00 0.00 O ATOM 1239 CB ALA A 86 14.220 -4.784 -6.357 1.00 0.00 C ATOM 0 H ALA A 86 12.044 -4.033 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 86 12.953 -6.500 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.127 -5.325 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.799 -4.314 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.461 -4.017 -5.621 1.00 0.00 H new ATOM 1245 N LEU A 87 13.412 -6.056 -3.370 1.00 0.00 N ATOM 1246 CA LEU A 87 13.909 -6.666 -2.141 1.00 0.00 C ATOM 1247 C LEU A 87 13.092 -7.901 -1.777 1.00 0.00 C ATOM 1248 O LEU A 87 13.548 -9.032 -1.944 1.00 0.00 O ATOM 1249 CB LEU A 87 13.867 -5.655 -0.994 1.00 0.00 C ATOM 1250 CG LEU A 87 15.124 -4.807 -0.800 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.171 -5.577 -0.011 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.683 -4.367 -2.145 1.00 0.00 C ATOM 0 H LEU A 87 12.752 -5.292 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 87 14.941 -6.973 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.023 -4.985 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.671 -6.195 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 87 14.854 -3.916 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.059 -4.957 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.768 -5.841 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.438 -6.486 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.578 -3.764 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.937 -5.245 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.936 -3.776 -2.674 1.00 0.00 H new ATOM 1264 N GLY A 88 11.879 -7.677 -1.279 1.00 0.00 N ATOM 1265 CA GLY A 88 11.017 -8.781 -0.901 1.00 0.00 C ATOM 1266 C GLY A 88 9.650 -8.698 -1.551 1.00 0.00 C ATOM 1267 O GLY A 88 9.487 -8.053 -2.587 1.00 0.00 O ATOM 0 H GLY A 88 11.479 -6.751 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.492 -9.721 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.901 -8.792 0.183 1.00 0.00 H new ATOM 1271 N GLN A 89 8.666 -9.354 -0.944 1.00 0.00 N ATOM 1272 CA GLN A 89 7.308 -9.353 -1.472 1.00 0.00 C ATOM 1273 C GLN A 89 6.304 -9.754 -0.396 1.00 0.00 C ATOM 1274 O GLN A 89 6.523 -10.713 0.345 1.00 0.00 O ATOM 1275 CB GLN A 89 7.201 -10.304 -2.666 1.00 0.00 C ATOM 1276 CG GLN A 89 7.295 -11.772 -2.283 1.00 0.00 C ATOM 1277 CD GLN A 89 6.937 -12.698 -3.429 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.671 -13.637 -3.737 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.802 -12.437 -4.069 1.00 0.00 N ATOM 0 H GLN A 89 8.785 -9.893 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 89 7.075 -8.340 -1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.253 -10.130 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.993 -10.071 -3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.308 -11.992 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.630 -11.967 -1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.224 -11.648 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.509 -13.026 -4.849 1.00 0.00 H new ATOM 1288 N VAL A 90 5.203 -9.014 -0.315 1.00 0.00 N ATOM 1289 CA VAL A 90 4.165 -9.294 0.671 1.00 0.00 C ATOM 1290 C VAL A 90 2.778 -9.027 0.098 1.00 0.00 C ATOM 1291 O VAL A 90 2.617 -8.217 -0.816 1.00 0.00 O ATOM 1292 CB VAL A 90 4.356 -8.446 1.942 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.780 -8.575 2.462 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.010 -6.990 1.668 1.00 0.00 C ATOM 0 H VAL A 90 5.006 -8.216 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 90 4.250 -10.349 0.931 1.00 0.00 H new ATOM 0 HB VAL A 90 3.679 -8.818 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.896 -7.969 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.988 -9.618 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.478 -8.230 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.151 -6.405 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.660 -6.603 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.971 -6.917 1.347 1.00 0.00 H new ATOM 1304 N SER A 91 1.777 -9.712 0.642 1.00 0.00 N ATOM 1305 CA SER A 91 0.402 -9.551 0.184 1.00 0.00 C ATOM 1306 C SER A 91 -0.572 -9.607 1.357 1.00 0.00 C ATOM 1307 O SER A 91 -0.358 -10.344 2.321 1.00 0.00 O ATOM 1308 CB SER A 91 0.053 -10.636 -0.837 1.00 0.00 C ATOM 1309 OG SER A 91 0.083 -11.923 -0.244 1.00 0.00 O ATOM 0 H SER A 91 1.893 -10.384 1.401 1.00 0.00 H new ATOM 0 HA SER A 91 0.315 -8.574 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.937 -10.446 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.758 -10.598 -1.668 1.00 0.00 H new ATOM 0 HG SER A 91 -0.145 -12.598 -0.916 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.641 -8.825 1.267 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.649 -8.784 2.321 1.00 0.00 C ATOM 1317 C CYS A 92 -4.054 -8.734 1.728 1.00 0.00 C ATOM 1318 O CYS A 92 -4.254 -8.233 0.622 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.421 -7.573 3.226 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.756 -5.984 2.431 1.00 0.00 S ATOM 0 H CYS A 92 -1.833 -8.211 0.476 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.557 -9.694 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.055 -7.667 4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.388 -7.582 3.574 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.632 -5.411 2.116 1.00 0.00 H new ATOM 1326 N SER A 93 -5.023 -9.260 2.471 1.00 0.00 N ATOM 1327 CA SER A 93 -6.408 -9.280 2.017 1.00 0.00 C ATOM 1328 C SER A 93 -7.340 -8.726 3.090 1.00 0.00 C ATOM 1329 O SER A 93 -7.001 -8.708 4.273 1.00 0.00 O ATOM 1330 CB SER A 93 -6.825 -10.705 1.649 1.00 0.00 C ATOM 1331 OG SER A 93 -7.043 -11.489 2.810 1.00 0.00 O ATOM 0 H SER A 93 -4.874 -9.678 3.390 1.00 0.00 H new ATOM 0 HA SER A 93 -6.484 -8.647 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.735 -10.678 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.052 -11.166 1.035 1.00 0.00 H new ATOM 0 HG SER A 93 -7.310 -12.395 2.548 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.517 -8.276 2.668 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.500 -7.724 3.592 1.00 0.00 C ATOM 1339 C ALA A 94 -10.921 -8.014 3.121 1.00 0.00 C ATOM 1340 O ALA A 94 -11.172 -8.147 1.923 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.290 -6.225 3.751 1.00 0.00 C ATOM 0 H ALA A 94 -8.813 -8.283 1.692 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.362 -8.205 4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.031 -5.825 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.290 -6.037 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.399 -5.738 2.782 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.845 -8.112 4.070 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.241 -8.388 3.751 1.00 0.00 C ATOM 1349 C TRP A 95 -14.112 -7.165 4.014 1.00 0.00 C ATOM 1350 O TRP A 95 -14.354 -6.799 5.165 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.748 -9.576 4.570 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.190 -9.897 4.321 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.273 -9.327 4.926 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.706 -10.866 3.402 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.431 -9.882 4.439 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.111 -10.829 3.502 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.118 -11.761 2.503 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.933 -11.652 2.737 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.936 -12.577 1.745 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.331 -12.518 1.865 1.00 0.00 C ATOM 0 H TRP A 95 -11.653 -8.005 5.066 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.303 -8.634 2.691 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.143 -10.452 4.338 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.608 -9.363 5.630 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.226 -8.553 5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.376 -9.630 4.728 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -14.044 -11.814 2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -19.008 -11.609 2.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.492 -13.272 1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.943 -13.169 1.258 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.580 -6.535 2.942 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.425 -5.352 3.058 1.00 0.00 C ATOM 1373 C VAL A 96 -16.897 -5.710 2.884 1.00 0.00 C ATOM 1374 O VAL A 96 -17.239 -6.651 2.168 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.042 -4.284 2.017 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.013 -3.114 2.069 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.613 -3.811 2.241 1.00 0.00 C ATOM 0 H VAL A 96 -14.388 -6.824 1.983 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.267 -4.947 4.058 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.102 -4.731 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.726 -2.370 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.022 -3.469 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.988 -2.664 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.359 -3.056 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.524 -3.381 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.931 -4.656 2.148 1.00 0.00 H new ATOM 1387 N THR A 97 -17.767 -4.952 3.545 1.00 0.00 N ATOM 1388 CA THR A 97 -19.203 -5.188 3.465 1.00 0.00 C ATOM 1389 C THR A 97 -19.948 -3.918 3.071 1.00 0.00 C ATOM 1390 O THR A 97 -19.632 -2.828 3.547 1.00 0.00 O ATOM 1391 CB THR A 97 -19.763 -5.704 4.804 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.931 -6.755 5.310 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.186 -6.214 4.635 1.00 0.00 C ATOM 0 H THR A 97 -17.501 -4.169 4.142 1.00 0.00 H new ATOM 0 HA THR A 97 -19.356 -5.948 2.699 1.00 0.00 H new ATOM 0 HB THR A 97 -19.773 -4.875 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.292 -7.077 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.560 -6.573 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.822 -5.405 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.197 -7.030 3.913 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.940 -4.066 2.199 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.733 -2.931 1.742 1.00 0.00 C ATOM 1403 C VAL A 98 -23.196 -3.085 2.141 1.00 0.00 C ATOM 1404 O VAL A 98 -23.870 -4.025 1.718 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.644 -2.763 0.214 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.347 -1.488 -0.225 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.191 -2.763 -0.239 1.00 0.00 C ATOM 0 H VAL A 98 -21.214 -4.961 1.795 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.321 -2.044 2.222 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.147 -3.608 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.274 -1.386 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.397 -1.533 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.875 -0.629 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.147 -2.643 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.661 -1.939 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.723 -3.707 0.041 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.682 -2.157 2.959 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.067 -2.189 3.415 1.00 0.00 C ATOM 1419 C HIS A 99 -26.029 -2.193 2.231 1.00 0.00 C ATOM 1420 O HIS A 99 -27.152 -2.688 2.333 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.357 -0.989 4.317 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.552 -0.982 5.581 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.648 -1.969 6.539 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.633 -0.102 6.040 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.823 -1.695 7.534 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.195 -0.567 7.256 1.00 0.00 N ATOM 0 H HIS A 99 -23.137 -1.374 3.320 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.215 -3.107 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.157 -0.072 3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.417 -0.983 4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.305 0.799 5.543 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.686 -2.292 8.423 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.498 -0.115 7.848 1.00 0.00 H new