USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -0.0216 X(o=-0.7,f=-0.74) USER MOD Set 1.2: A 93 SER OG : rot 93:sc= -0.683 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0988 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.0254 USER MOD Single : A 32 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.258 K(o=-0.26,f=-0.91) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 138:sc= 0.559 USER MOD Single : A 61 CYS SG : rot -24:sc= -2.54 USER MOD Single : A 65 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.064) USER MOD Single : A 71 MET CE :methyl 144:sc= 0 (180deg=-0.201) USER MOD Single : A 78 THR OG1 : rot -58:sc= -0.907! USER MOD Single : A 81 SER OG : rot -150:sc= 0 USER MOD Single : A 82 THR OG1 : rot -82:sc= 0.966 USER MOD Single : A 87 ASN : amide:sc= 0.0135 K(o=0.014,f=-0.97!) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.274 F(o=-1.1,f=-0.27) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -22:sc= 0.425 USER MOD Single : A 97 SER OG : rot 24:sc= 0.0815 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.437 -11.714 -1.901 1.00 0.00 N ATOM 133 CA HIS A 13 13.290 -10.774 -0.802 1.00 0.00 C ATOM 134 C HIS A 13 12.272 -9.697 -1.181 1.00 0.00 C ATOM 135 O HIS A 13 11.913 -9.559 -2.349 1.00 0.00 O ATOM 136 CB HIS A 13 14.647 -10.193 -0.399 1.00 0.00 C ATOM 137 CG HIS A 13 15.295 -9.348 -1.470 1.00 0.00 C ATOM 138 ND1 HIS A 13 15.863 -9.888 -2.610 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.458 -7.997 -1.561 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.344 -8.897 -3.347 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.092 -7.726 -2.695 1.00 0.00 N ATOM 0 HA HIS A 13 12.907 -11.293 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.520 -9.589 0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.319 -11.011 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.127 -7.271 -0.833 1.00 0.00 H new ATOM 0 HE1 HIS A 13 16.847 -8.999 -4.297 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.348 -6.795 -3.025 1.00 0.00 H new ATOM 149 N THR A 14 11.835 -8.959 -0.170 1.00 0.00 N ATOM 150 CA THR A 14 10.866 -7.898 -0.382 1.00 0.00 C ATOM 151 C THR A 14 11.322 -6.613 0.311 1.00 0.00 C ATOM 152 O THR A 14 11.901 -6.660 1.395 1.00 0.00 O ATOM 153 CB THR A 14 9.503 -8.399 0.101 1.00 0.00 C ATOM 154 OG1 THR A 14 9.815 -9.238 1.210 1.00 0.00 O ATOM 155 CG2 THR A 14 8.835 -9.340 -0.903 1.00 0.00 C ATOM 0 H THR A 14 12.135 -9.076 0.798 1.00 0.00 H new ATOM 0 HA THR A 14 10.780 -7.646 -1.439 1.00 0.00 H new ATOM 0 HB THR A 14 8.849 -7.547 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.988 -9.605 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.872 -9.666 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.684 -8.817 -1.847 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.472 -10.209 -1.067 1.00 0.00 H new ATOM 163 N GLU A 15 11.044 -5.495 -0.343 1.00 0.00 N ATOM 164 CA GLU A 15 11.418 -4.199 0.197 1.00 0.00 C ATOM 165 C GLU A 15 10.169 -3.365 0.490 1.00 0.00 C ATOM 166 O GLU A 15 9.121 -3.577 -0.117 1.00 0.00 O ATOM 167 CB GLU A 15 12.360 -3.459 -0.755 1.00 0.00 C ATOM 168 CG GLU A 15 13.815 -3.868 -0.514 1.00 0.00 C ATOM 169 CD GLU A 15 14.779 -2.840 -1.110 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.938 -1.776 -0.473 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.334 -3.141 -2.188 1.00 0.00 O ATOM 0 H GLU A 15 10.564 -5.460 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 15 11.953 -4.359 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.084 -3.675 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.253 -2.383 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.997 -3.965 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.000 -4.846 -0.958 1.00 0.00 H new ATOM 178 N THR A 16 10.323 -2.434 1.421 1.00 0.00 N ATOM 179 CA THR A 16 9.220 -1.568 1.802 1.00 0.00 C ATOM 180 C THR A 16 9.518 -0.121 1.404 1.00 0.00 C ATOM 181 O THR A 16 10.668 0.313 1.441 1.00 0.00 O ATOM 182 CB THR A 16 8.974 -1.747 3.301 1.00 0.00 C ATOM 183 OG1 THR A 16 10.267 -2.016 3.836 1.00 0.00 O ATOM 184 CG2 THR A 16 8.171 -3.011 3.615 1.00 0.00 C ATOM 0 H THR A 16 11.194 -2.261 1.922 1.00 0.00 H new ATOM 0 HA THR A 16 8.305 -1.837 1.274 1.00 0.00 H new ATOM 0 HB THR A 16 8.447 -0.875 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.200 -2.144 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.024 -3.091 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.201 -2.959 3.120 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.714 -3.886 3.257 1.00 0.00 H new ATOM 192 N THR A 17 8.461 0.587 1.032 1.00 0.00 N ATOM 193 CA THR A 17 8.594 1.976 0.628 1.00 0.00 C ATOM 194 C THR A 17 7.756 2.878 1.536 1.00 0.00 C ATOM 195 O THR A 17 6.785 2.426 2.141 1.00 0.00 O ATOM 196 CB THR A 17 8.212 2.077 -0.850 1.00 0.00 C ATOM 197 OG1 THR A 17 8.243 3.475 -1.122 1.00 0.00 O ATOM 198 CG2 THR A 17 6.757 1.680 -1.107 1.00 0.00 C ATOM 0 H THR A 17 7.508 0.224 1.002 1.00 0.00 H new ATOM 0 HA THR A 17 9.621 2.323 0.737 1.00 0.00 H new ATOM 0 HB THR A 17 8.872 1.440 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.009 3.631 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.538 1.769 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.600 0.649 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.095 2.338 -0.544 1.00 0.00 H new ATOM 206 N GLU A 18 8.161 4.138 1.601 1.00 0.00 N ATOM 207 CA GLU A 18 7.459 5.108 2.425 1.00 0.00 C ATOM 208 C GLU A 18 6.841 6.199 1.549 1.00 0.00 C ATOM 209 O GLU A 18 7.558 6.984 0.930 1.00 0.00 O ATOM 210 CB GLU A 18 8.392 5.711 3.476 1.00 0.00 C ATOM 211 CG GLU A 18 8.246 4.991 4.818 1.00 0.00 C ATOM 212 CD GLU A 18 9.588 4.910 5.547 1.00 0.00 C ATOM 213 OE1 GLU A 18 10.582 4.569 4.870 1.00 0.00 O ATOM 214 OE2 GLU A 18 9.591 5.192 6.765 1.00 0.00 O ATOM 0 H GLU A 18 8.966 4.510 1.097 1.00 0.00 H new ATOM 0 HA GLU A 18 6.655 4.594 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.424 5.642 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.168 6.770 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.522 5.517 5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.856 3.986 4.655 1.00 0.00 H new ATOM 221 N VAL A 19 5.516 6.215 1.524 1.00 0.00 N ATOM 222 CA VAL A 19 4.794 7.197 0.735 1.00 0.00 C ATOM 223 C VAL A 19 4.305 8.321 1.650 1.00 0.00 C ATOM 224 O VAL A 19 3.465 8.097 2.520 1.00 0.00 O ATOM 225 CB VAL A 19 3.660 6.518 -0.036 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.102 7.443 -1.119 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.124 5.188 -0.635 1.00 0.00 C ATOM 0 H VAL A 19 4.924 5.563 2.038 1.00 0.00 H new ATOM 0 HA VAL A 19 5.452 7.647 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 19 2.856 6.306 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.298 6.936 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.715 8.352 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.895 7.702 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.299 4.726 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.954 5.367 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.450 4.523 0.165 1.00 0.00 H new ATOM 237 N VAL A 20 4.851 9.507 1.422 1.00 0.00 N ATOM 238 CA VAL A 20 4.481 10.666 2.216 1.00 0.00 C ATOM 239 C VAL A 20 3.565 11.572 1.391 1.00 0.00 C ATOM 240 O VAL A 20 4.033 12.316 0.531 1.00 0.00 O ATOM 241 CB VAL A 20 5.738 11.382 2.715 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.407 12.792 3.208 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.435 10.568 3.807 1.00 0.00 C ATOM 0 H VAL A 20 5.547 9.690 0.699 1.00 0.00 H new ATOM 0 HA VAL A 20 3.924 10.360 3.102 1.00 0.00 H new ATOM 0 HB VAL A 20 6.427 11.475 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.318 13.279 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.976 13.371 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.691 12.732 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.325 11.099 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.755 10.429 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.722 9.595 3.408 1.00 0.00 H new ATOM 253 N LEU A 21 2.276 11.479 1.682 1.00 0.00 N ATOM 254 CA LEU A 21 1.290 12.281 0.977 1.00 0.00 C ATOM 255 C LEU A 21 0.891 13.473 1.849 1.00 0.00 C ATOM 256 O LEU A 21 0.783 13.347 3.068 1.00 0.00 O ATOM 257 CB LEU A 21 0.106 11.415 0.542 1.00 0.00 C ATOM 258 CG LEU A 21 0.450 10.184 -0.300 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.727 9.208 -0.351 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.918 10.590 -1.699 1.00 0.00 C ATOM 0 H LEU A 21 1.891 10.861 2.396 1.00 0.00 H new ATOM 0 HA LEU A 21 1.715 12.685 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.424 11.084 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.585 12.038 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 21 1.279 9.664 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.456 8.342 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.973 8.882 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.591 9.703 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.156 9.697 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.126 11.146 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.806 11.217 -1.618 1.00 0.00 H new ATOM 272 N THR A 22 0.683 14.604 1.191 1.00 0.00 N ATOM 273 CA THR A 22 0.299 15.818 1.891 1.00 0.00 C ATOM 274 C THR A 22 -1.187 16.111 1.674 1.00 0.00 C ATOM 275 O THR A 22 -1.598 16.473 0.572 1.00 0.00 O ATOM 276 CB THR A 22 1.216 16.947 1.418 1.00 0.00 C ATOM 277 OG1 THR A 22 2.511 16.353 1.389 1.00 0.00 O ATOM 278 CG2 THR A 22 1.344 18.069 2.450 1.00 0.00 C ATOM 0 H THR A 22 0.773 14.705 0.180 1.00 0.00 H new ATOM 0 HA THR A 22 0.423 15.709 2.968 1.00 0.00 H new ATOM 0 HB THR A 22 0.835 17.356 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.168 17.016 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.006 18.844 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.361 18.496 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.757 17.667 3.375 1.00 0.00 H new ATOM 286 N ALA A 23 -1.953 15.943 2.742 1.00 0.00 N ATOM 287 CA ALA A 23 -3.384 16.185 2.682 1.00 0.00 C ATOM 288 C ALA A 23 -3.647 17.481 1.913 1.00 0.00 C ATOM 289 O ALA A 23 -3.508 18.572 2.463 1.00 0.00 O ATOM 290 CB ALA A 23 -3.956 16.223 4.101 1.00 0.00 C ATOM 0 H ALA A 23 -1.609 15.642 3.654 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.887 15.378 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.030 16.405 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.770 15.269 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.476 17.023 4.665 1.00 0.00 H new ATOM 296 N ASP A 24 -4.021 17.318 0.652 1.00 0.00 N ATOM 297 CA ASP A 24 -4.304 18.462 -0.198 1.00 0.00 C ATOM 298 C ASP A 24 -5.405 19.309 0.443 1.00 0.00 C ATOM 299 O ASP A 24 -6.105 18.846 1.342 1.00 0.00 O ATOM 300 CB ASP A 24 -4.793 18.015 -1.577 1.00 0.00 C ATOM 301 CG ASP A 24 -4.006 18.585 -2.759 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.839 18.969 -2.531 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.590 18.624 -3.863 1.00 0.00 O ATOM 0 H ASP A 24 -4.135 16.411 0.199 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.384 19.035 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.753 16.927 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.839 18.301 -1.685 1.00 0.00 H new ATOM 308 N PRO A 25 -5.527 20.568 -0.057 1.00 0.00 N ATOM 309 CA PRO A 25 -6.531 21.484 0.457 1.00 0.00 C ATOM 310 C PRO A 25 -7.925 21.110 -0.050 1.00 0.00 C ATOM 311 O PRO A 25 -8.898 21.809 0.227 1.00 0.00 O ATOM 312 CB PRO A 25 -6.080 22.860 -0.004 1.00 0.00 C ATOM 313 CG PRO A 25 -5.104 22.619 -1.144 1.00 0.00 C ATOM 314 CD PRO A 25 -4.715 21.150 -1.122 1.00 0.00 C ATOM 0 HA PRO A 25 -6.615 21.450 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.929 23.458 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.603 23.407 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.561 22.879 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.222 23.249 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.918 20.672 -2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.651 21.025 -0.922 1.00 0.00 H new ATOM 322 N VAL A 26 -7.977 20.008 -0.785 1.00 0.00 N ATOM 323 CA VAL A 26 -9.236 19.533 -1.333 1.00 0.00 C ATOM 324 C VAL A 26 -9.259 18.004 -1.294 1.00 0.00 C ATOM 325 O VAL A 26 -10.127 17.409 -0.657 1.00 0.00 O ATOM 326 CB VAL A 26 -9.441 20.099 -2.740 1.00 0.00 C ATOM 327 CG1 VAL A 26 -9.844 21.574 -2.684 1.00 0.00 C ATOM 328 CG2 VAL A 26 -8.188 19.904 -3.596 1.00 0.00 C ATOM 0 H VAL A 26 -7.168 19.431 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.073 19.886 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.256 19.547 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.983 21.952 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.776 21.676 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.060 22.147 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.360 20.315 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.346 20.418 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.964 18.840 -3.676 1.00 0.00 H new ATOM 338 N THR A 27 -8.295 17.411 -1.984 1.00 0.00 N ATOM 339 CA THR A 27 -8.195 15.963 -2.037 1.00 0.00 C ATOM 340 C THR A 27 -7.065 15.474 -1.129 1.00 0.00 C ATOM 341 O THR A 27 -6.039 14.995 -1.611 1.00 0.00 O ATOM 342 CB THR A 27 -8.018 15.554 -3.500 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.100 16.512 -4.020 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.288 15.769 -4.326 1.00 0.00 C ATOM 0 H THR A 27 -7.577 17.908 -2.511 1.00 0.00 H new ATOM 0 HA THR A 27 -9.102 15.490 -1.660 1.00 0.00 H new ATOM 0 HB THR A 27 -7.725 14.505 -3.550 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.810 16.235 -4.914 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.108 15.463 -5.357 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.100 15.174 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.562 16.824 -4.303 1.00 0.00 H new ATOM 352 N GLY A 28 -7.291 15.611 0.170 1.00 0.00 N ATOM 353 CA GLY A 28 -6.304 15.189 1.150 1.00 0.00 C ATOM 354 C GLY A 28 -5.375 14.122 0.567 1.00 0.00 C ATOM 355 O GLY A 28 -4.326 14.444 0.012 1.00 0.00 O ATOM 0 H GLY A 28 -8.143 16.008 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.718 16.049 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.808 14.795 2.033 1.00 0.00 H new ATOM 359 N PHE A 29 -5.793 12.873 0.715 1.00 0.00 N ATOM 360 CA PHE A 29 -5.011 11.758 0.211 1.00 0.00 C ATOM 361 C PHE A 29 -5.758 11.024 -0.905 1.00 0.00 C ATOM 362 O PHE A 29 -5.138 10.421 -1.780 1.00 0.00 O ATOM 363 CB PHE A 29 -4.796 10.797 1.382 1.00 0.00 C ATOM 364 CG PHE A 29 -4.395 11.486 2.687 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.259 12.231 2.742 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.175 11.354 3.794 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.887 12.871 3.953 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.803 11.994 5.005 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.667 12.739 5.060 1.00 0.00 C ATOM 0 H PHE A 29 -6.663 12.609 1.177 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.067 12.120 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.713 10.232 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.024 10.077 1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.639 12.336 1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.077 10.762 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.985 13.463 3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.423 11.889 5.883 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.384 13.226 5.982 1.00 0.00 H new ATOM 379 N GLY A 30 -7.079 11.100 -0.838 1.00 0.00 N ATOM 380 CA GLY A 30 -7.917 10.451 -1.832 1.00 0.00 C ATOM 381 C GLY A 30 -7.488 8.998 -2.047 1.00 0.00 C ATOM 382 O GLY A 30 -7.187 8.596 -3.170 1.00 0.00 O ATOM 0 H GLY A 30 -7.590 11.601 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.958 10.483 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.857 10.995 -2.775 1.00 0.00 H new ATOM 386 N ILE A 31 -7.472 8.251 -0.953 1.00 0.00 N ATOM 387 CA ILE A 31 -7.085 6.852 -1.007 1.00 0.00 C ATOM 388 C ILE A 31 -8.219 5.991 -0.447 1.00 0.00 C ATOM 389 O ILE A 31 -8.923 6.407 0.471 1.00 0.00 O ATOM 390 CB ILE A 31 -5.744 6.639 -0.301 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.737 7.720 -0.698 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.205 5.231 -0.560 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.385 7.486 -0.022 1.00 0.00 C ATOM 0 H ILE A 31 -7.721 8.589 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.928 6.540 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.906 6.729 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.610 7.724 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.122 8.701 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.251 5.106 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.917 4.495 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.062 5.087 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.688 8.269 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.511 7.507 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.991 6.515 -0.323 1.00 0.00 H new ATOM 405 N GLN A 32 -8.359 4.806 -1.023 1.00 0.00 N ATOM 406 CA GLN A 32 -9.395 3.883 -0.593 1.00 0.00 C ATOM 407 C GLN A 32 -8.792 2.509 -0.295 1.00 0.00 C ATOM 408 O GLN A 32 -7.913 2.043 -1.018 1.00 0.00 O ATOM 409 CB GLN A 32 -10.506 3.778 -1.640 1.00 0.00 C ATOM 410 CG GLN A 32 -11.600 4.817 -1.385 1.00 0.00 C ATOM 411 CD GLN A 32 -12.988 4.175 -1.432 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.365 3.520 -2.390 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.725 4.399 -0.348 1.00 0.00 N ATOM 0 H GLN A 32 -7.772 4.464 -1.784 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.840 4.270 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.087 3.923 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.938 2.777 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.444 5.283 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.536 5.608 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.348 4.956 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.667 4.013 -0.283 1.00 0.00 H new ATOM 422 N LEU A 33 -9.287 1.900 0.772 1.00 0.00 N ATOM 423 CA LEU A 33 -8.808 0.589 1.175 1.00 0.00 C ATOM 424 C LEU A 33 -9.905 -0.449 0.930 1.00 0.00 C ATOM 425 O LEU A 33 -11.083 -0.103 0.845 1.00 0.00 O ATOM 426 CB LEU A 33 -8.306 0.622 2.620 1.00 0.00 C ATOM 427 CG LEU A 33 -6.986 1.361 2.855 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.737 1.577 4.349 1.00 0.00 C ATOM 429 CD2 LEU A 33 -5.823 0.633 2.179 1.00 0.00 C ATOM 0 H LEU A 33 -10.015 2.290 1.370 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.950 0.296 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.074 1.085 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.192 -0.405 2.968 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.059 2.347 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.793 2.104 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.549 2.169 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.692 0.612 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.897 1.179 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.737 -0.374 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.005 0.575 1.106 1.00 0.00 H new ATOM 441 N GLN A 34 -9.480 -1.699 0.822 1.00 0.00 N ATOM 442 CA GLN A 34 -10.412 -2.789 0.588 1.00 0.00 C ATOM 443 C GLN A 34 -10.597 -3.613 1.864 1.00 0.00 C ATOM 444 O GLN A 34 -9.852 -3.445 2.829 1.00 0.00 O ATOM 445 CB GLN A 34 -9.944 -3.671 -0.571 1.00 0.00 C ATOM 446 CG GLN A 34 -8.652 -4.407 -0.213 1.00 0.00 C ATOM 447 CD GLN A 34 -8.717 -5.873 -0.647 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.285 -6.247 -1.725 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.279 -6.678 0.249 1.00 0.00 N ATOM 0 H GLN A 34 -8.502 -1.981 0.892 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.376 -2.363 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.721 -4.394 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.784 -3.058 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.805 -3.918 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.483 -4.350 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.620 -6.299 1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.369 -7.675 0.053 1.00 0.00 H new ATOM 620 N PRO A 47 -4.552 -5.011 3.791 1.00 0.00 N ATOM 621 CA PRO A 47 -5.365 -4.119 2.982 1.00 0.00 C ATOM 622 C PRO A 47 -4.622 -3.699 1.712 1.00 0.00 C ATOM 623 O PRO A 47 -3.397 -3.589 1.713 1.00 0.00 O ATOM 624 CB PRO A 47 -5.689 -2.947 3.895 1.00 0.00 C ATOM 625 CG PRO A 47 -4.668 -3.000 5.020 1.00 0.00 C ATOM 626 CD PRO A 47 -3.991 -4.360 4.971 1.00 0.00 C ATOM 0 HA PRO A 47 -6.279 -4.593 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.626 -2.002 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.704 -3.025 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.933 -2.203 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.154 -2.850 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.908 -4.261 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.193 -4.936 5.874 1.00 0.00 H new ATOM 634 N LEU A 48 -5.395 -3.478 0.659 1.00 0.00 N ATOM 635 CA LEU A 48 -4.825 -3.074 -0.615 1.00 0.00 C ATOM 636 C LEU A 48 -5.611 -1.881 -1.164 1.00 0.00 C ATOM 637 O LEU A 48 -6.835 -1.936 -1.273 1.00 0.00 O ATOM 638 CB LEU A 48 -4.762 -4.263 -1.575 1.00 0.00 C ATOM 639 CG LEU A 48 -4.264 -5.581 -0.979 1.00 0.00 C ATOM 640 CD1 LEU A 48 -4.851 -6.779 -1.728 1.00 0.00 C ATOM 641 CD2 LEU A 48 -2.735 -5.622 -0.942 1.00 0.00 C ATOM 0 H LEU A 48 -6.411 -3.571 0.662 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.794 -2.745 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.759 -4.426 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.113 -3.997 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.614 -5.643 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.481 -7.703 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.939 -6.754 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.553 -6.735 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.407 -6.569 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.344 -5.526 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.364 -4.800 -0.331 1.00 0.00 H new ATOM 653 N ILE A 49 -4.874 -0.830 -1.496 1.00 0.00 N ATOM 654 CA ILE A 49 -5.487 0.374 -2.031 1.00 0.00 C ATOM 655 C ILE A 49 -6.573 -0.015 -3.036 1.00 0.00 C ATOM 656 O ILE A 49 -6.271 -0.419 -4.157 1.00 0.00 O ATOM 657 CB ILE A 49 -4.420 1.306 -2.609 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.713 2.085 -1.498 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.018 2.233 -3.669 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.555 2.913 -2.061 1.00 0.00 C ATOM 0 H ILE A 49 -3.859 -0.788 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.975 0.939 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.665 0.696 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.426 2.742 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.337 1.392 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.239 2.885 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.437 1.637 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.805 2.839 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.069 3.457 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.832 2.251 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.938 3.622 -2.796 1.00 0.00 H new ATOM 672 N SER A 50 -7.816 0.121 -2.597 1.00 0.00 N ATOM 673 CA SER A 50 -8.949 -0.211 -3.444 1.00 0.00 C ATOM 674 C SER A 50 -9.001 0.738 -4.643 1.00 0.00 C ATOM 675 O SER A 50 -9.028 0.294 -5.790 1.00 0.00 O ATOM 676 CB SER A 50 -10.261 -0.147 -2.659 1.00 0.00 C ATOM 677 OG SER A 50 -11.397 -0.143 -3.518 1.00 0.00 O ATOM 0 H SER A 50 -8.063 0.457 -1.666 1.00 0.00 H new ATOM 0 HA SER A 50 -8.821 -1.232 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.321 -1.000 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.270 0.751 -2.041 1.00 0.00 H new ATOM 0 HG SER A 50 -12.215 -0.103 -2.979 1.00 0.00 H new ATOM 683 N TYR A 51 -9.015 2.027 -4.337 1.00 0.00 N ATOM 684 CA TYR A 51 -9.064 3.042 -5.376 1.00 0.00 C ATOM 685 C TYR A 51 -8.200 4.249 -5.005 1.00 0.00 C ATOM 686 O TYR A 51 -7.873 4.446 -3.835 1.00 0.00 O ATOM 687 CB TYR A 51 -10.526 3.484 -5.465 1.00 0.00 C ATOM 688 CG TYR A 51 -10.801 4.505 -6.571 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.983 4.080 -7.872 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.867 5.850 -6.269 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.242 5.041 -8.913 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.126 6.810 -7.310 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.301 6.358 -8.581 1.00 0.00 C ATOM 694 OH TYR A 51 -11.546 7.265 -9.564 1.00 0.00 O ATOM 0 H TYR A 51 -8.993 2.392 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.689 2.644 -6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.151 2.606 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.825 3.911 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.931 3.028 -8.109 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.724 6.182 -5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.386 4.722 -9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.180 7.865 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.561 8.167 -9.181 1.00 0.00 H new ATOM 704 N ILE A 52 -7.854 5.024 -6.022 1.00 0.00 N ATOM 705 CA ILE A 52 -7.035 6.206 -5.817 1.00 0.00 C ATOM 706 C ILE A 52 -7.677 7.397 -6.531 1.00 0.00 C ATOM 707 O ILE A 52 -7.730 7.434 -7.759 1.00 0.00 O ATOM 708 CB ILE A 52 -5.591 5.938 -6.246 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.013 4.731 -5.503 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.725 7.187 -6.069 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.789 4.174 -6.231 1.00 0.00 C ATOM 0 H ILE A 52 -8.126 4.856 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.988 6.457 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.591 5.694 -7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.737 5.022 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.773 3.955 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.704 6.969 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.126 7.997 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.728 7.486 -5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.398 3.317 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.074 3.862 -7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.021 4.945 -6.295 1.00 0.00 H new ATOM 723 N GLU A 53 -8.149 8.342 -5.730 1.00 0.00 N ATOM 724 CA GLU A 53 -8.786 9.531 -6.270 1.00 0.00 C ATOM 725 C GLU A 53 -7.890 10.179 -7.328 1.00 0.00 C ATOM 726 O GLU A 53 -6.672 10.012 -7.302 1.00 0.00 O ATOM 727 CB GLU A 53 -9.126 10.524 -5.157 1.00 0.00 C ATOM 728 CG GLU A 53 -10.597 10.940 -5.224 1.00 0.00 C ATOM 729 CD GLU A 53 -10.752 12.446 -5.003 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.824 12.842 -3.820 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.795 13.167 -6.023 1.00 0.00 O ATOM 0 H GLU A 53 -8.103 8.308 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.721 9.235 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.915 10.074 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.491 11.405 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.012 10.667 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.167 10.398 -4.469 1.00 0.00 H new ATOM 738 N ALA A 54 -8.529 10.904 -8.235 1.00 0.00 N ATOM 739 CA ALA A 54 -7.805 11.578 -9.299 1.00 0.00 C ATOM 740 C ALA A 54 -7.413 12.982 -8.835 1.00 0.00 C ATOM 741 O ALA A 54 -7.966 13.495 -7.864 1.00 0.00 O ATOM 742 CB ALA A 54 -8.664 11.601 -10.565 1.00 0.00 C ATOM 0 H ALA A 54 -9.540 11.039 -8.255 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.886 11.042 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.121 12.107 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.890 10.579 -10.870 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.594 12.134 -10.364 1.00 0.00 H new ATOM 748 N ASP A 55 -6.462 13.563 -9.552 1.00 0.00 N ATOM 749 CA ASP A 55 -5.990 14.898 -9.225 1.00 0.00 C ATOM 750 C ASP A 55 -5.661 14.967 -7.732 1.00 0.00 C ATOM 751 O ASP A 55 -5.792 16.022 -7.113 1.00 0.00 O ATOM 752 CB ASP A 55 -7.061 15.949 -9.523 1.00 0.00 C ATOM 753 CG ASP A 55 -6.529 17.281 -10.055 1.00 0.00 C ATOM 754 OD1 ASP A 55 -6.115 17.297 -11.235 1.00 0.00 O ATOM 755 OD2 ASP A 55 -6.548 18.255 -9.271 1.00 0.00 O ATOM 0 H ASP A 55 -6.006 13.134 -10.357 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.107 15.101 -9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.760 15.537 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.626 16.139 -8.611 1.00 0.00 H new ATOM 760 N SER A 56 -5.240 13.830 -7.198 1.00 0.00 N ATOM 761 CA SER A 56 -4.892 13.749 -5.790 1.00 0.00 C ATOM 762 C SER A 56 -3.385 13.534 -5.636 1.00 0.00 C ATOM 763 O SER A 56 -2.693 13.243 -6.609 1.00 0.00 O ATOM 764 CB SER A 56 -5.662 12.623 -5.097 1.00 0.00 C ATOM 765 OG SER A 56 -4.790 11.640 -4.545 1.00 0.00 O ATOM 0 H SER A 56 -5.132 12.957 -7.715 1.00 0.00 H new ATOM 0 HA SER A 56 -5.169 14.689 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.283 13.042 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.335 12.150 -5.813 1.00 0.00 H new ATOM 0 HG SER A 56 -5.115 11.375 -3.659 1.00 0.00 H new ATOM 771 N PRO A 57 -2.909 13.691 -4.371 1.00 0.00 N ATOM 772 CA PRO A 57 -1.497 13.518 -4.077 1.00 0.00 C ATOM 773 C PRO A 57 -1.115 12.037 -4.073 1.00 0.00 C ATOM 774 O PRO A 57 0.061 11.695 -4.191 1.00 0.00 O ATOM 775 CB PRO A 57 -1.291 14.187 -2.727 1.00 0.00 C ATOM 776 CG PRO A 57 -2.673 14.300 -2.104 1.00 0.00 C ATOM 777 CD PRO A 57 -3.699 14.037 -3.193 1.00 0.00 C ATOM 0 HA PRO A 57 -0.853 13.967 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.625 13.598 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.833 15.169 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.785 13.581 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.818 15.291 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.372 13.226 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.317 14.916 -3.375 1.00 0.00 H new ATOM 785 N ALA A 58 -2.131 11.197 -3.938 1.00 0.00 N ATOM 786 CA ALA A 58 -1.916 9.760 -3.918 1.00 0.00 C ATOM 787 C ALA A 58 -1.718 9.258 -5.350 1.00 0.00 C ATOM 788 O ALA A 58 -1.045 8.253 -5.571 1.00 0.00 O ATOM 789 CB ALA A 58 -3.094 9.077 -3.218 1.00 0.00 C ATOM 0 H ALA A 58 -3.105 11.484 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.015 9.515 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.933 7.999 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.174 9.446 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.015 9.299 -3.757 1.00 0.00 H new ATOM 795 N GLU A 59 -2.318 9.981 -6.284 1.00 0.00 N ATOM 796 CA GLU A 59 -2.216 9.622 -7.688 1.00 0.00 C ATOM 797 C GLU A 59 -1.107 10.431 -8.364 1.00 0.00 C ATOM 798 O GLU A 59 -0.719 10.136 -9.493 1.00 0.00 O ATOM 799 CB GLU A 59 -3.554 9.821 -8.404 1.00 0.00 C ATOM 800 CG GLU A 59 -3.570 9.094 -9.750 1.00 0.00 C ATOM 801 CD GLU A 59 -3.851 7.601 -9.563 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.049 7.255 -9.485 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.861 6.840 -9.503 1.00 0.00 O ATOM 0 H GLU A 59 -2.876 10.814 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.960 8.565 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.365 9.450 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.732 10.885 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.331 9.533 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.611 9.227 -10.251 1.00 0.00 H new ATOM 810 N ARG A 60 -0.629 11.436 -7.645 1.00 0.00 N ATOM 811 CA ARG A 60 0.427 12.290 -8.161 1.00 0.00 C ATOM 812 C ARG A 60 1.779 11.580 -8.062 1.00 0.00 C ATOM 813 O ARG A 60 2.600 11.671 -8.973 1.00 0.00 O ATOM 814 CB ARG A 60 0.494 13.610 -7.390 1.00 0.00 C ATOM 815 CG ARG A 60 -0.411 14.664 -8.030 1.00 0.00 C ATOM 816 CD ARG A 60 0.313 16.007 -8.152 1.00 0.00 C ATOM 817 NE ARG A 60 -0.613 17.035 -8.676 1.00 0.00 N ATOM 818 CZ ARG A 60 -1.459 17.742 -7.915 1.00 0.00 C ATOM 819 NH1 ARG A 60 -1.502 17.536 -6.592 1.00 0.00 N ATOM 820 NH2 ARG A 60 -2.263 18.656 -8.477 1.00 0.00 N ATOM 0 H ARG A 60 -0.954 11.678 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 60 0.200 12.504 -9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.193 13.447 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.522 13.972 -7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.727 14.326 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.313 14.786 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.696 16.313 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.172 15.907 -8.815 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.607 17.217 -9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.891 16.841 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.146 18.074 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.231 18.813 -9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.907 19.194 -7.897 1.00 0.00 H new ATOM 834 N CYS A 61 1.968 10.889 -6.947 1.00 0.00 N ATOM 835 CA CYS A 61 3.207 10.164 -6.718 1.00 0.00 C ATOM 836 C CYS A 61 3.376 9.136 -7.838 1.00 0.00 C ATOM 837 O CYS A 61 4.477 8.951 -8.354 1.00 0.00 O ATOM 838 CB CYS A 61 3.231 9.511 -5.334 1.00 0.00 C ATOM 839 SG CYS A 61 1.695 8.553 -5.067 1.00 0.00 S ATOM 0 H CYS A 61 1.285 10.816 -6.193 1.00 0.00 H new ATOM 0 HA CYS A 61 4.047 10.858 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.098 8.856 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.331 10.276 -4.564 1.00 0.00 H new ATOM 0 HG CYS A 61 0.751 9.026 -5.826 1.00 0.00 H new ATOM 845 N GLY A 62 2.269 8.493 -8.180 1.00 0.00 N ATOM 846 CA GLY A 62 2.282 7.488 -9.230 1.00 0.00 C ATOM 847 C GLY A 62 2.860 6.168 -8.717 1.00 0.00 C ATOM 848 O GLY A 62 2.908 5.181 -9.450 1.00 0.00 O ATOM 0 H GLY A 62 1.358 8.648 -7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.268 7.327 -9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.873 7.845 -10.073 1.00 0.00 H new ATOM 852 N VAL A 63 3.284 6.192 -7.462 1.00 0.00 N ATOM 853 CA VAL A 63 3.857 5.009 -6.843 1.00 0.00 C ATOM 854 C VAL A 63 2.736 4.163 -6.235 1.00 0.00 C ATOM 855 O VAL A 63 2.847 2.941 -6.160 1.00 0.00 O ATOM 856 CB VAL A 63 4.921 5.416 -5.822 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.972 6.326 -6.459 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.283 6.083 -4.602 1.00 0.00 C ATOM 0 H VAL A 63 3.242 7.012 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 63 4.360 4.393 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 63 5.424 4.511 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.716 6.601 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.459 5.800 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.491 7.227 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.061 6.363 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.741 6.975 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.591 5.387 -4.127 1.00 0.00 H new ATOM 868 N LEU A 64 1.682 4.849 -5.816 1.00 0.00 N ATOM 869 CA LEU A 64 0.542 4.176 -5.216 1.00 0.00 C ATOM 870 C LEU A 64 -0.338 3.590 -6.322 1.00 0.00 C ATOM 871 O LEU A 64 -1.155 4.297 -6.909 1.00 0.00 O ATOM 872 CB LEU A 64 -0.203 5.123 -4.273 1.00 0.00 C ATOM 873 CG LEU A 64 0.616 5.700 -3.117 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.162 6.799 -2.389 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.073 4.594 -2.163 1.00 0.00 C ATOM 0 H LEU A 64 1.594 5.863 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 64 0.873 3.342 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.599 5.951 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.058 4.590 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 64 1.513 6.160 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.443 7.192 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.396 7.603 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.088 6.385 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.653 5.031 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.201 4.084 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.691 3.878 -2.705 1.00 0.00 H new ATOM 887 N GLN A 65 -0.141 2.304 -6.572 1.00 0.00 N ATOM 888 CA GLN A 65 -0.906 1.615 -7.596 1.00 0.00 C ATOM 889 C GLN A 65 -2.133 0.941 -6.979 1.00 0.00 C ATOM 890 O GLN A 65 -2.102 0.528 -5.821 1.00 0.00 O ATOM 891 CB GLN A 65 -0.038 0.597 -8.339 1.00 0.00 C ATOM 892 CG GLN A 65 0.966 1.299 -9.256 1.00 0.00 C ATOM 893 CD GLN A 65 2.326 0.598 -9.219 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.866 0.182 -10.231 1.00 0.00 O ATOM 895 NE2 GLN A 65 2.846 0.490 -8.000 1.00 0.00 N ATOM 0 H GLN A 65 0.538 1.721 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.247 2.352 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.494 -0.026 -7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.672 -0.066 -8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.586 1.309 -10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.080 2.338 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.340 0.860 -7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.750 0.037 -7.870 1.00 0.00 H new ATOM 904 N ILE A 66 -3.185 0.851 -7.780 1.00 0.00 N ATOM 905 CA ILE A 66 -4.420 0.234 -7.326 1.00 0.00 C ATOM 906 C ILE A 66 -4.133 -1.199 -6.873 1.00 0.00 C ATOM 907 O ILE A 66 -3.774 -2.050 -7.685 1.00 0.00 O ATOM 908 CB ILE A 66 -5.497 0.333 -8.408 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.810 1.794 -8.739 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.752 -0.445 -8.006 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.894 2.346 -7.811 1.00 0.00 C ATOM 0 H ILE A 66 -3.208 1.195 -8.740 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.818 0.768 -6.463 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.110 -0.127 -9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.905 2.394 -8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.138 1.874 -9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.502 -0.358 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.498 -1.495 -7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.151 -0.037 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.098 3.386 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.805 1.759 -7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.553 2.287 -6.777 1.00 0.00 H new ATOM 923 N GLY A 67 -4.302 -1.421 -5.578 1.00 0.00 N ATOM 924 CA GLY A 67 -4.066 -2.737 -5.008 1.00 0.00 C ATOM 925 C GLY A 67 -2.680 -2.814 -4.363 1.00 0.00 C ATOM 926 O GLY A 67 -2.072 -3.882 -4.317 1.00 0.00 O ATOM 0 H GLY A 67 -4.599 -0.712 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.831 -2.957 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.152 -3.495 -5.786 1.00 0.00 H new ATOM 930 N ASP A 68 -2.222 -1.668 -3.881 1.00 0.00 N ATOM 931 CA ASP A 68 -0.920 -1.592 -3.241 1.00 0.00 C ATOM 932 C ASP A 68 -0.846 -2.631 -2.121 1.00 0.00 C ATOM 933 O ASP A 68 -1.757 -3.442 -1.961 1.00 0.00 O ATOM 934 CB ASP A 68 -0.690 -0.212 -2.622 1.00 0.00 C ATOM 935 CG ASP A 68 0.087 0.770 -3.501 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.412 0.375 -4.642 1.00 0.00 O ATOM 937 OD2 ASP A 68 0.339 1.892 -3.013 1.00 0.00 O ATOM 0 H ASP A 68 -2.730 -0.784 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.160 -1.778 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.658 0.227 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.154 -0.337 -1.681 1.00 0.00 H new ATOM 942 N ARG A 69 0.247 -2.573 -1.374 1.00 0.00 N ATOM 943 CA ARG A 69 0.452 -3.499 -0.273 1.00 0.00 C ATOM 944 C ARG A 69 0.752 -2.732 1.016 1.00 0.00 C ATOM 945 O ARG A 69 1.814 -2.906 1.613 1.00 0.00 O ATOM 946 CB ARG A 69 1.606 -4.459 -0.569 1.00 0.00 C ATOM 947 CG ARG A 69 1.495 -5.031 -1.983 1.00 0.00 C ATOM 948 CD ARG A 69 1.794 -3.959 -3.033 1.00 0.00 C ATOM 949 NE ARG A 69 2.728 -4.493 -4.050 1.00 0.00 N ATOM 950 CZ ARG A 69 3.512 -3.730 -4.824 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.479 -2.396 -4.702 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.329 -4.301 -5.719 1.00 0.00 N ATOM 0 H ARG A 69 1.000 -1.899 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.464 -4.077 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.556 -3.936 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.603 -5.272 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.191 -5.862 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.493 -5.430 -2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.868 -3.638 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.227 -3.081 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 69 2.778 -5.505 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.857 -1.961 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.076 -1.815 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.354 -5.316 -5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.926 -3.720 -6.308 1.00 0.00 H new ATOM 966 N VAL A 70 -0.202 -1.900 1.408 1.00 0.00 N ATOM 967 CA VAL A 70 -0.052 -1.106 2.616 1.00 0.00 C ATOM 968 C VAL A 70 0.123 -2.039 3.816 1.00 0.00 C ATOM 969 O VAL A 70 -0.855 -2.421 4.458 1.00 0.00 O ATOM 970 CB VAL A 70 -1.241 -0.155 2.767 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.526 -0.927 3.071 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.967 0.899 3.842 1.00 0.00 C ATOM 0 H VAL A 70 -1.081 -1.759 0.911 1.00 0.00 H new ATOM 0 HA VAL A 70 0.840 -0.483 2.556 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.378 0.363 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.355 -0.227 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.735 -1.621 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.405 -1.484 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.828 1.562 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.790 0.406 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.088 1.481 3.566 1.00 0.00 H new ATOM 982 N MET A 71 1.375 -2.379 4.083 1.00 0.00 N ATOM 983 CA MET A 71 1.691 -3.260 5.194 1.00 0.00 C ATOM 984 C MET A 71 1.413 -2.574 6.533 1.00 0.00 C ATOM 985 O MET A 71 1.076 -3.235 7.515 1.00 0.00 O ATOM 986 CB MET A 71 3.165 -3.664 5.123 1.00 0.00 C ATOM 987 CG MET A 71 3.524 -4.186 3.730 1.00 0.00 C ATOM 988 SD MET A 71 2.378 -5.467 3.245 1.00 0.00 S ATOM 989 CE MET A 71 3.202 -6.895 3.928 1.00 0.00 C ATOM 0 H MET A 71 2.183 -2.060 3.549 1.00 0.00 H new ATOM 0 HA MET A 71 1.059 -4.145 5.122 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.793 -2.807 5.367 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.371 -4.433 5.868 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.497 -3.370 3.008 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.541 -4.577 3.730 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.459 -7.601 4.300 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.802 -7.374 3.154 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.849 -6.584 4.748 1.00 0.00 H new ATOM 999 N ALA A 72 1.566 -1.258 6.531 1.00 0.00 N ATOM 1000 CA ALA A 72 1.336 -0.476 7.733 1.00 0.00 C ATOM 1001 C ALA A 72 0.931 0.947 7.341 1.00 0.00 C ATOM 1002 O ALA A 72 1.176 1.378 6.215 1.00 0.00 O ATOM 1003 CB ALA A 72 2.591 -0.504 8.609 1.00 0.00 C ATOM 0 H ALA A 72 1.847 -0.714 5.715 1.00 0.00 H new ATOM 0 HA ALA A 72 0.521 -0.902 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.418 0.083 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.820 -1.534 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.430 -0.081 8.056 1.00 0.00 H new ATOM 1009 N ILE A 73 0.318 1.636 8.292 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.123 3.001 8.060 1.00 0.00 C ATOM 1011 C ILE A 73 0.333 3.885 9.223 1.00 0.00 C ATOM 1012 O ILE A 73 -0.258 3.851 10.301 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.632 3.041 7.812 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.995 2.305 6.521 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.150 4.481 7.817 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.513 2.246 6.332 1.00 0.00 C ATOM 0 H ILE A 73 0.116 1.275 9.224 1.00 0.00 H new ATOM 0 HA ILE A 73 0.336 3.401 7.156 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.127 2.518 8.630 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.538 2.810 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.589 1.294 6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.225 4.481 7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.943 4.939 8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.652 5.050 7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.744 1.718 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.964 1.720 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.913 3.259 6.281 1.00 0.00 H new ATOM 1028 N ASN A 74 1.380 4.654 8.965 1.00 0.00 N ATOM 1029 CA ASN A 74 1.922 5.545 9.977 1.00 0.00 C ATOM 1030 C ASN A 74 2.675 4.722 11.024 1.00 0.00 C ATOM 1031 O ASN A 74 3.148 5.264 12.022 1.00 0.00 O ATOM 1032 CB ASN A 74 0.806 6.311 10.691 1.00 0.00 C ATOM 1033 CG ASN A 74 1.018 7.822 10.576 1.00 0.00 C ATOM 1034 OD1 ASN A 74 2.062 8.356 10.912 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -0.028 8.478 10.083 1.00 0.00 N ATOM 0 H ASN A 74 1.868 4.679 8.070 1.00 0.00 H new ATOM 0 HA ASN A 74 2.586 6.253 9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.158 6.042 10.260 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.777 6.023 11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.014 9.490 9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.872 7.969 9.821 1.00 0.00 H new ATOM 1042 N GLY A 75 2.764 3.427 10.760 1.00 0.00 N ATOM 1043 CA GLY A 75 3.452 2.524 11.667 1.00 0.00 C ATOM 1044 C GLY A 75 2.477 1.520 12.286 1.00 0.00 C ATOM 1045 O GLY A 75 2.896 0.521 12.868 1.00 0.00 O ATOM 0 H GLY A 75 2.371 2.981 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.236 1.991 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.939 3.097 12.456 1.00 0.00 H new ATOM 1049 N ILE A 76 1.196 1.821 12.138 1.00 0.00 N ATOM 1050 CA ILE A 76 0.158 0.957 12.675 1.00 0.00 C ATOM 1051 C ILE A 76 0.097 -0.332 11.853 1.00 0.00 C ATOM 1052 O ILE A 76 0.230 -0.300 10.631 1.00 0.00 O ATOM 1053 CB ILE A 76 -1.176 1.704 12.748 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.060 2.950 13.627 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.299 0.776 13.215 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -2.427 3.364 14.176 1.00 0.00 C ATOM 0 H ILE A 76 0.853 2.651 11.654 1.00 0.00 H new ATOM 0 HA ILE A 76 0.393 0.671 13.700 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.433 2.042 11.744 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.377 2.754 14.453 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.633 3.769 13.048 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.236 1.332 13.258 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.401 -0.053 12.515 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.062 0.387 14.205 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.316 4.252 14.798 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.101 3.583 13.348 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.840 2.552 14.775 1.00 0.00 H new ATOM 1068 N PRO A 77 -0.109 -1.465 12.576 1.00 0.00 N ATOM 1069 CA PRO A 77 -0.189 -2.763 11.927 1.00 0.00 C ATOM 1070 C PRO A 77 -1.530 -2.935 11.210 1.00 0.00 C ATOM 1071 O PRO A 77 -2.551 -3.189 11.847 1.00 0.00 O ATOM 1072 CB PRO A 77 0.022 -3.774 13.042 1.00 0.00 C ATOM 1073 CG PRO A 77 -0.251 -3.028 14.339 1.00 0.00 C ATOM 1074 CD PRO A 77 -0.272 -1.541 14.025 1.00 0.00 C ATOM 0 HA PRO A 77 0.560 -2.890 11.146 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.651 -4.624 12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.038 -4.168 13.025 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.203 -3.341 14.767 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.519 -3.252 15.077 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.209 -1.083 14.343 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.531 -1.016 14.542 1.00 0.00 H new ATOM 1082 N THR A 78 -1.482 -2.791 9.893 1.00 0.00 N ATOM 1083 CA THR A 78 -2.680 -2.928 9.082 1.00 0.00 C ATOM 1084 C THR A 78 -3.113 -4.393 9.013 1.00 0.00 C ATOM 1085 O THR A 78 -2.980 -5.035 7.971 1.00 0.00 O ATOM 1086 CB THR A 78 -2.395 -2.312 7.711 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.290 -3.064 7.216 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.858 -0.883 7.810 1.00 0.00 C ATOM 0 H THR A 78 -0.633 -2.581 9.368 1.00 0.00 H new ATOM 0 HA THR A 78 -3.521 -2.395 9.525 1.00 0.00 H new ATOM 0 HB THR A 78 -3.308 -2.316 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.540 -2.995 7.843 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.673 -0.494 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.591 -0.253 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.927 -0.883 8.377 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.621 -4.881 10.135 1.00 0.00 N ATOM 1097 CA GLU A 79 -4.074 -6.259 10.214 1.00 0.00 C ATOM 1098 C GLU A 79 -4.585 -6.570 11.623 1.00 0.00 C ATOM 1099 O GLU A 79 -4.224 -7.591 12.206 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.960 -7.227 9.809 1.00 0.00 C ATOM 1101 CG GLU A 79 -3.525 -8.418 9.032 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.494 -9.545 8.932 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -1.419 -9.281 8.353 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -2.806 -10.645 9.437 1.00 0.00 O ATOM 0 H GLU A 79 -3.729 -4.346 10.997 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.898 -6.391 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.224 -6.705 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.440 -7.582 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.424 -8.786 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.818 -8.099 8.032 1.00 0.00 H new ATOM 1111 N ASP A 80 -5.415 -5.670 12.128 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.979 -5.836 13.457 1.00 0.00 C ATOM 1113 C ASP A 80 -6.842 -4.618 13.796 1.00 0.00 C ATOM 1114 O ASP A 80 -7.881 -4.750 14.441 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.877 -5.942 14.513 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.373 -6.103 15.952 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -6.169 -5.239 16.378 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.945 -7.087 16.593 1.00 0.00 O ATOM 0 H ASP A 80 -5.711 -4.824 11.641 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.572 -6.751 13.460 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.240 -6.791 14.267 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.254 -5.049 14.457 1.00 0.00 H new ATOM 1123 N SER A 81 -6.379 -3.462 13.345 1.00 0.00 N ATOM 1124 CA SER A 81 -7.096 -2.222 13.592 1.00 0.00 C ATOM 1125 C SER A 81 -8.364 -2.171 12.737 1.00 0.00 C ATOM 1126 O SER A 81 -9.192 -1.277 12.902 1.00 0.00 O ATOM 1127 CB SER A 81 -6.212 -1.007 13.303 1.00 0.00 C ATOM 1128 OG SER A 81 -5.027 -1.009 14.095 1.00 0.00 O ATOM 0 H SER A 81 -5.517 -3.357 12.810 1.00 0.00 H new ATOM 0 HA SER A 81 -7.374 -2.192 14.645 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.942 -0.998 12.247 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.776 -0.094 13.496 1.00 0.00 H new ATOM 0 HG SER A 81 -4.744 -0.086 14.262 1.00 0.00 H new ATOM 1134 N THR A 82 -8.475 -3.142 11.842 1.00 0.00 N ATOM 1135 CA THR A 82 -9.627 -3.219 10.961 1.00 0.00 C ATOM 1136 C THR A 82 -9.633 -2.040 9.986 1.00 0.00 C ATOM 1137 O THR A 82 -9.259 -0.926 10.350 1.00 0.00 O ATOM 1138 CB THR A 82 -10.884 -3.293 11.831 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.293 -1.935 11.967 1.00 0.00 O ATOM 1140 CG2 THR A 82 -10.578 -3.736 13.263 1.00 0.00 C ATOM 0 H THR A 82 -7.786 -3.882 11.708 1.00 0.00 H new ATOM 0 HA THR A 82 -9.590 -4.114 10.340 1.00 0.00 H new ATOM 0 HB THR A 82 -11.597 -3.984 11.381 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.775 -1.507 12.681 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.503 -3.772 13.838 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.121 -4.726 13.248 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.891 -3.026 13.725 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.061 -2.325 8.765 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.120 -1.303 7.734 1.00 0.00 C ATOM 1150 C PHE A 83 -10.717 -0.005 8.283 1.00 0.00 C ATOM 1151 O PHE A 83 -10.342 1.085 7.855 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.027 -1.838 6.624 1.00 0.00 C ATOM 1153 CG PHE A 83 -11.703 -0.746 5.792 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -12.792 -0.094 6.282 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.215 -0.428 4.563 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.419 0.919 5.510 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -11.843 0.585 3.791 1.00 0.00 C ATOM 1158 CZ PHE A 83 -12.931 1.237 4.281 1.00 0.00 C ATOM 0 H PHE A 83 -10.370 -3.250 8.466 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.116 -1.085 7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.438 -2.473 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.796 -2.469 7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.179 -0.347 7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.350 -0.946 4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.283 1.437 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.456 0.838 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.408 2.008 3.694 1.00 0.00 H new ATOM 1168 N GLU A 84 -11.638 -0.166 9.222 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.291 0.979 9.834 1.00 0.00 C ATOM 1170 C GLU A 84 -11.247 1.969 10.356 1.00 0.00 C ATOM 1171 O GLU A 84 -11.418 3.180 10.231 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.236 0.538 10.953 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.661 0.353 10.426 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.029 -1.130 10.352 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -14.311 -1.859 9.634 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.021 -1.502 11.016 1.00 0.00 O ATOM 0 H GLU A 84 -11.947 -1.072 9.574 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.890 1.480 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.881 -0.397 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.233 1.281 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.364 0.874 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.748 0.803 9.437 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.189 1.416 10.931 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.118 2.235 11.472 1.00 0.00 C ATOM 1185 C GLU A 85 -8.235 2.768 10.342 1.00 0.00 C ATOM 1186 O GLU A 85 -8.030 3.976 10.227 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.290 1.450 12.492 1.00 0.00 C ATOM 1188 CG GLU A 85 -9.010 1.371 13.839 1.00 0.00 C ATOM 1189 CD GLU A 85 -10.517 1.194 13.645 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -11.174 2.213 13.341 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -10.979 0.043 13.806 1.00 0.00 O ATOM 0 H GLU A 85 -10.051 0.411 11.034 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.562 3.085 11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.103 0.444 12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.319 1.928 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.614 0.537 14.419 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.817 2.278 14.412 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.735 1.842 9.537 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.879 2.205 8.421 1.00 0.00 C ATOM 1200 C ALA A 86 -7.432 3.462 7.746 1.00 0.00 C ATOM 1201 O ALA A 86 -6.692 4.411 7.493 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.772 1.023 7.454 1.00 0.00 C ATOM 0 H ALA A 86 -7.906 0.841 9.636 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.872 2.434 8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.130 1.295 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.346 0.165 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.764 0.766 7.082 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.728 3.427 7.474 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.389 4.551 6.834 1.00 0.00 C ATOM 1210 C ASN A 87 -9.270 5.785 7.731 1.00 0.00 C ATOM 1211 O ASN A 87 -8.842 6.846 7.280 1.00 0.00 O ATOM 1212 CB ASN A 87 -10.876 4.266 6.617 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.458 5.180 5.537 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -10.988 6.280 5.299 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.505 4.665 4.899 1.00 0.00 N ATOM 0 H ASN A 87 -9.338 2.637 7.685 1.00 0.00 H new ATOM 0 HA ASN A 87 -8.910 4.719 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.012 3.224 6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.418 4.411 7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.965 5.198 4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.848 3.737 5.148 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.658 5.605 8.985 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.600 6.690 9.950 1.00 0.00 C ATOM 1224 C GLN A 88 -8.177 7.245 10.040 1.00 0.00 C ATOM 1225 O GLN A 88 -7.980 8.459 10.054 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.098 6.231 11.321 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.350 7.007 11.738 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.572 6.545 10.942 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.833 5.246 11.057 1.00 0.00 O flip ATOM 1230 NE2 GLN A 88 -13.234 7.317 10.268 1.00 0.00 N flip ATOM 0 H GLN A 88 -10.014 4.724 9.355 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.259 7.489 9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.320 5.164 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.313 6.374 12.064 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.531 6.866 12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.191 8.074 11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.978 8.303 10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -14.043 6.976 9.749 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.222 6.329 10.100 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.823 6.711 10.190 1.00 0.00 C ATOM 1241 C LEU A 89 -5.565 7.904 9.267 1.00 0.00 C ATOM 1242 O LEU A 89 -4.785 8.795 9.602 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.920 5.509 9.907 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.080 4.313 10.848 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.794 3.487 10.908 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.536 4.766 12.236 1.00 0.00 C ATOM 0 H LEU A 89 -7.389 5.323 10.088 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.580 7.032 11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.107 5.171 8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.883 5.842 9.947 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.860 3.665 10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.935 2.643 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.552 3.118 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.978 4.111 11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.642 3.897 12.886 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.796 5.446 12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.495 5.278 12.155 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.235 7.884 8.125 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.088 8.953 7.152 1.00 0.00 C ATOM 1260 C LEU A 90 -6.759 10.220 7.687 1.00 0.00 C ATOM 1261 O LEU A 90 -6.101 11.240 7.883 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.614 8.510 5.785 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.799 7.429 5.071 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.192 7.331 3.596 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.298 7.666 5.251 1.00 0.00 C ATOM 0 H LEU A 90 -6.882 7.144 7.851 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.034 9.188 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.633 8.145 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.667 9.385 5.137 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.030 6.468 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.598 6.556 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.250 7.080 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.009 8.287 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.742 6.884 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.031 8.637 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.051 7.646 6.312 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.061 10.113 7.910 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.828 11.237 8.419 1.00 0.00 C ATOM 1279 C ARG A 91 -8.053 11.949 9.529 1.00 0.00 C ATOM 1280 O ARG A 91 -8.234 13.146 9.748 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.182 10.778 8.965 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.197 10.597 7.835 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.540 11.234 8.197 1.00 0.00 C ATOM 1284 NE ARG A 91 -13.492 11.081 7.074 1.00 0.00 N ATOM 1285 CZ ARG A 91 -14.820 11.215 7.192 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -15.361 11.506 8.383 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -15.607 11.059 6.118 1.00 0.00 N ATOM 0 H ARG A 91 -8.604 9.265 7.747 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.998 11.925 7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.061 9.838 9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.556 11.510 9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.812 11.047 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.337 9.535 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.944 10.765 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.401 12.291 8.425 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.114 10.860 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.762 11.626 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.372 11.608 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.195 10.838 5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.618 11.161 6.207 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.205 11.184 10.200 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.402 11.727 11.282 1.00 0.00 C ATOM 1303 C ASP A 92 -5.140 12.368 10.702 1.00 0.00 C ATOM 1304 O ASP A 92 -4.789 13.492 11.060 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.969 10.626 12.253 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.911 11.045 13.275 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.263 11.859 14.156 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -3.773 10.542 13.153 1.00 0.00 O ATOM 0 H ASP A 92 -7.056 10.192 10.015 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.006 12.461 11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.848 10.268 12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.583 9.785 11.677 1.00 0.00 H new ATOM 1313 N SER A 93 -4.492 11.627 9.815 1.00 0.00 N ATOM 1314 CA SER A 93 -3.276 12.110 9.182 1.00 0.00 C ATOM 1315 C SER A 93 -3.455 13.566 8.748 1.00 0.00 C ATOM 1316 O SER A 93 -2.488 14.324 8.694 1.00 0.00 O ATOM 1317 CB SER A 93 -2.898 11.240 7.981 1.00 0.00 C ATOM 1318 OG SER A 93 -1.930 10.251 8.322 1.00 0.00 O ATOM 0 H SER A 93 -4.786 10.696 9.520 1.00 0.00 H new ATOM 0 HA SER A 93 -2.465 12.052 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.792 10.753 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.505 11.872 7.185 1.00 0.00 H new ATOM 0 HG SER A 93 -2.385 9.419 8.570 1.00 0.00 H new ATOM 1324 N SER A 94 -4.699 13.912 8.449 1.00 0.00 N ATOM 1325 CA SER A 94 -5.016 15.264 8.022 1.00 0.00 C ATOM 1326 C SER A 94 -4.398 16.278 8.986 1.00 0.00 C ATOM 1327 O SER A 94 -3.857 17.297 8.559 1.00 0.00 O ATOM 1328 CB SER A 94 -6.530 15.472 7.932 1.00 0.00 C ATOM 1329 OG SER A 94 -6.882 16.395 6.905 1.00 0.00 O ATOM 0 H SER A 94 -5.498 13.280 8.494 1.00 0.00 H new ATOM 0 HA SER A 94 -4.595 15.415 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.017 14.515 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.904 15.835 8.889 1.00 0.00 H new ATOM 0 HG SER A 94 -7.856 16.499 6.879 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.497 15.962 10.269 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.954 16.833 11.298 1.00 0.00 C ATOM 1337 C ILE A 95 -2.560 17.303 10.879 1.00 0.00 C ATOM 1338 O ILE A 95 -2.379 18.457 10.494 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.984 16.136 12.660 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.401 16.125 13.239 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -2.977 16.769 13.622 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.790 14.723 13.710 1.00 0.00 C ATOM 0 H ILE A 95 -4.945 15.115 10.619 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.572 17.724 11.408 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.685 15.097 12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.462 16.823 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.109 16.468 12.484 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.019 16.255 14.582 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.973 16.682 13.207 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.221 17.822 13.763 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.801 14.743 14.117 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.752 14.032 12.868 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.095 14.393 14.482 1.00 0.00 H new ATOM 1354 N THR A 96 -1.609 16.384 10.967 1.00 0.00 N ATOM 1355 CA THR A 96 -0.237 16.690 10.601 1.00 0.00 C ATOM 1356 C THR A 96 -0.142 17.014 9.109 1.00 0.00 C ATOM 1357 O THR A 96 0.888 17.495 8.639 1.00 0.00 O ATOM 1358 CB THR A 96 0.639 15.508 11.023 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.966 15.938 10.731 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.439 14.283 10.130 1.00 0.00 C ATOM 0 H THR A 96 -1.762 15.427 11.286 1.00 0.00 H new ATOM 0 HA THR A 96 0.121 17.580 11.118 1.00 0.00 H new ATOM 0 HB THR A 96 0.418 15.243 12.057 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.939 16.650 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.084 13.474 10.473 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.602 13.963 10.179 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.692 14.538 9.101 1.00 0.00 H new ATOM 1368 N SER A 97 -1.230 16.738 8.406 1.00 0.00 N ATOM 1369 CA SER A 97 -1.283 16.994 6.976 1.00 0.00 C ATOM 1370 C SER A 97 -0.280 16.098 6.247 1.00 0.00 C ATOM 1371 O SER A 97 0.188 16.439 5.162 1.00 0.00 O ATOM 1372 CB SER A 97 -1.000 18.466 6.670 1.00 0.00 C ATOM 1373 OG SER A 97 -2.189 19.252 6.681 1.00 0.00 O ATOM 0 H SER A 97 -2.082 16.339 8.800 1.00 0.00 H new ATOM 0 HA SER A 97 -2.289 16.764 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.298 18.860 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.520 18.548 5.695 1.00 0.00 H new ATOM 0 HG SER A 97 -2.869 18.808 7.229 1.00 0.00 H new ATOM 1379 N LYS A 98 0.019 14.968 6.871 1.00 0.00 N ATOM 1380 CA LYS A 98 0.957 14.020 6.295 1.00 0.00 C ATOM 1381 C LYS A 98 0.558 12.601 6.704 1.00 0.00 C ATOM 1382 O LYS A 98 0.042 12.390 7.800 1.00 0.00 O ATOM 1383 CB LYS A 98 2.393 14.389 6.675 1.00 0.00 C ATOM 1384 CG LYS A 98 3.374 13.980 5.574 1.00 0.00 C ATOM 1385 CD LYS A 98 3.721 15.171 4.678 1.00 0.00 C ATOM 1386 CE LYS A 98 5.203 15.533 4.797 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.392 16.635 5.766 1.00 0.00 N ATOM 0 H LYS A 98 -0.372 14.688 7.770 1.00 0.00 H new ATOM 0 HA LYS A 98 0.919 14.061 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.463 15.463 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.664 13.897 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.284 13.581 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.939 13.182 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.483 14.932 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.110 16.030 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.772 14.660 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.591 15.828 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.403 16.868 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.865 17.473 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.041 16.340 6.700 1.00 0.00 H new ATOM 1401 N VAL A 99 0.813 11.665 5.802 1.00 0.00 N ATOM 1402 CA VAL A 99 0.487 10.272 6.055 1.00 0.00 C ATOM 1403 C VAL A 99 1.608 9.384 5.513 1.00 0.00 C ATOM 1404 O VAL A 99 2.099 9.603 4.407 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.882 9.939 5.459 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.867 10.084 3.936 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.332 8.536 5.871 1.00 0.00 C ATOM 0 H VAL A 99 1.242 11.844 4.894 1.00 0.00 H new ATOM 0 HA VAL A 99 0.414 10.085 7.126 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.603 10.653 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.852 9.841 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.611 11.110 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.127 9.404 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.308 8.324 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.608 7.803 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.401 8.480 6.957 1.00 0.00 H new ATOM 1417 N THR A 100 1.981 8.399 6.317 1.00 0.00 N ATOM 1418 CA THR A 100 3.035 7.476 5.931 1.00 0.00 C ATOM 1419 C THR A 100 2.448 6.099 5.612 1.00 0.00 C ATOM 1420 O THR A 100 2.089 5.349 6.518 1.00 0.00 O ATOM 1421 CB THR A 100 4.074 7.449 7.054 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.760 8.691 6.923 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.160 6.396 6.822 1.00 0.00 C ATOM 0 H THR A 100 1.572 8.220 7.234 1.00 0.00 H new ATOM 0 HA THR A 100 3.532 7.802 5.017 1.00 0.00 H new ATOM 0 HB THR A 100 3.576 7.253 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.451 8.757 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.871 6.419 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.703 5.408 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.681 6.610 5.889 1.00 0.00 H new ATOM 1431 N LEU A 101 2.370 5.809 4.322 1.00 0.00 N ATOM 1432 CA LEU A 101 1.833 4.536 3.872 1.00 0.00 C ATOM 1433 C LEU A 101 2.984 3.556 3.640 1.00 0.00 C ATOM 1434 O LEU A 101 3.773 3.728 2.712 1.00 0.00 O ATOM 1435 CB LEU A 101 0.937 4.735 2.648 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.364 5.503 2.886 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.968 5.983 1.565 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.355 4.666 3.698 1.00 0.00 C ATOM 0 H LEU A 101 2.670 6.434 3.574 1.00 0.00 H new ATOM 0 HA LEU A 101 1.192 4.100 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.511 5.260 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.688 3.755 2.242 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.133 6.390 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.892 6.526 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.261 6.642 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.181 5.124 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.271 5.236 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.585 3.748 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.915 4.417 4.664 1.00 0.00 H new ATOM 1450 N GLU A 102 3.044 2.549 4.498 1.00 0.00 N ATOM 1451 CA GLU A 102 4.086 1.541 4.398 1.00 0.00 C ATOM 1452 C GLU A 102 3.660 0.432 3.433 1.00 0.00 C ATOM 1453 O GLU A 102 2.725 -0.316 3.714 1.00 0.00 O ATOM 1454 CB GLU A 102 4.429 0.967 5.775 1.00 0.00 C ATOM 1455 CG GLU A 102 5.734 0.171 5.727 1.00 0.00 C ATOM 1456 CD GLU A 102 6.607 0.475 6.946 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.398 -0.200 7.977 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.463 1.377 6.820 1.00 0.00 O ATOM 0 H GLU A 102 2.388 2.409 5.266 1.00 0.00 H new ATOM 0 HA GLU A 102 4.985 2.014 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.519 1.777 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.619 0.323 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.512 -0.896 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.279 0.414 4.815 1.00 0.00 H new ATOM 1465 N ILE A 103 4.368 0.362 2.315 1.00 0.00 N ATOM 1466 CA ILE A 103 4.075 -0.643 1.307 1.00 0.00 C ATOM 1467 C ILE A 103 5.217 -1.660 1.260 1.00 0.00 C ATOM 1468 O ILE A 103 6.281 -1.431 1.834 1.00 0.00 O ATOM 1469 CB ILE A 103 3.786 0.020 -0.042 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.866 1.231 0.128 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.222 -0.993 -1.041 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.406 0.848 -0.118 1.00 0.00 C ATOM 0 H ILE A 103 5.143 0.984 2.085 1.00 0.00 H new ATOM 0 HA ILE A 103 3.170 -1.191 1.567 1.00 0.00 H new ATOM 0 HB ILE A 103 4.727 0.386 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.975 1.637 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.162 2.017 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.025 -0.496 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.945 -1.795 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.294 -1.411 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.773 1.726 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.296 0.465 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.107 0.079 0.594 1.00 0.00 H new ATOM 1484 N GLU A 104 4.958 -2.761 0.570 1.00 0.00 N ATOM 1485 CA GLU A 104 5.952 -3.814 0.441 1.00 0.00 C ATOM 1486 C GLU A 104 5.900 -4.423 -0.962 1.00 0.00 C ATOM 1487 O GLU A 104 4.852 -4.898 -1.398 1.00 0.00 O ATOM 1488 CB GLU A 104 5.755 -4.888 1.513 1.00 0.00 C ATOM 1489 CG GLU A 104 6.432 -6.199 1.107 1.00 0.00 C ATOM 1490 CD GLU A 104 6.917 -6.969 2.336 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.940 -6.538 2.909 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.253 -7.973 2.675 1.00 0.00 O ATOM 0 H GLU A 104 4.075 -2.947 0.095 1.00 0.00 H new ATOM 0 HA GLU A 104 6.939 -3.376 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.166 -4.541 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.690 -5.058 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.732 -6.814 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.275 -5.988 0.449 1.00 0.00 H new ATOM 1499 N PHE A 105 7.044 -4.391 -1.629 1.00 0.00 N ATOM 1500 CA PHE A 105 7.142 -4.934 -2.973 1.00 0.00 C ATOM 1501 C PHE A 105 8.201 -6.036 -3.043 1.00 0.00 C ATOM 1502 O PHE A 105 8.841 -6.352 -2.041 1.00 0.00 O ATOM 1503 CB PHE A 105 7.558 -3.783 -3.891 1.00 0.00 C ATOM 1504 CG PHE A 105 8.622 -2.862 -3.291 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.289 -1.996 -2.297 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.901 -2.910 -3.752 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.277 -1.141 -1.740 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.889 -2.055 -3.195 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.556 -1.189 -2.201 1.00 0.00 C ATOM 0 H PHE A 105 7.911 -3.997 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 105 6.187 -5.366 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.935 -4.196 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.676 -3.191 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.274 -1.958 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.165 -3.598 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.013 -0.453 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.904 -2.093 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.307 -0.539 -1.777 1.00 0.00 H new ATOM 1519 N ASP A 106 8.354 -6.590 -4.237 1.00 0.00 N ATOM 1520 CA ASP A 106 9.326 -7.650 -4.451 1.00 0.00 C ATOM 1521 C ASP A 106 10.537 -7.083 -5.194 1.00 0.00 C ATOM 1522 O ASP A 106 10.415 -6.108 -5.934 1.00 0.00 O ATOM 1523 CB ASP A 106 8.734 -8.775 -5.301 1.00 0.00 C ATOM 1524 CG ASP A 106 8.002 -8.316 -6.564 1.00 0.00 C ATOM 1525 OD1 ASP A 106 6.862 -7.826 -6.412 1.00 0.00 O ATOM 1526 OD2 ASP A 106 8.598 -8.465 -7.652 1.00 0.00 O ATOM 0 H ASP A 106 7.822 -6.325 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 106 9.613 -8.046 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.538 -9.452 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.041 -9.348 -4.686 1.00 0.00 H new