USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= -0.212 (180deg=-0.558) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.731 K(o=0.73,f=-4.6!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0715) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.319 F(o=-1.5!,f=-0.32) USER MOD Single : A 45 ASN : amide:sc= -0.113 K(o=-0.11,f=-6.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -139:sc= -2.31! (180deg=-4.92!) USER MOD Single : A 48 ASN : amide:sc= 0.929 K(o=0.93,f=-6.5!) USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= 0.649 (180deg=-2.91!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -78:sc= 0.108 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N VAL A 8 7.847 -5.797 -1.209 1.00 0.00 N ATOM 93 CA VAL A 8 6.701 -5.470 -0.385 1.00 0.00 C ATOM 94 C VAL A 8 7.056 -4.498 0.733 1.00 0.00 C ATOM 95 O VAL A 8 8.069 -4.650 1.416 1.00 0.00 O ATOM 96 CB VAL A 8 6.062 -6.748 0.203 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.078 -6.423 1.313 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.368 -7.528 -0.898 1.00 0.00 C ATOM 0 HA VAL A 8 5.976 -4.977 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 8 6.858 -7.355 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.649 -7.347 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.595 -5.898 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.282 -5.791 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.919 -8.428 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.590 -6.910 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.095 -7.807 -1.660 1.00 0.00 H new ATOM 108 N VAL A 9 6.206 -3.501 0.892 1.00 0.00 N ATOM 109 CA VAL A 9 6.326 -2.513 1.945 1.00 0.00 C ATOM 110 C VAL A 9 5.277 -2.801 3.022 1.00 0.00 C ATOM 111 O VAL A 9 4.559 -3.796 2.935 1.00 0.00 O ATOM 112 CB VAL A 9 6.121 -1.097 1.377 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.285 -0.718 0.476 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.805 -1.023 0.620 1.00 0.00 C ATOM 0 H VAL A 9 5.401 -3.353 0.283 1.00 0.00 H new ATOM 0 HA VAL A 9 7.324 -2.568 2.379 1.00 0.00 H new ATOM 0 HB VAL A 9 6.083 -0.386 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.128 0.286 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.212 -0.741 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.352 -1.427 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.670 -0.017 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.817 -1.739 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.983 -1.259 1.296 1.00 0.00 H new ATOM 124 N VAL A 10 5.162 -1.942 4.021 1.00 0.00 N ATOM 125 CA VAL A 10 4.199 -2.169 5.092 1.00 0.00 C ATOM 126 C VAL A 10 3.528 -0.853 5.495 1.00 0.00 C ATOM 127 O VAL A 10 4.125 0.216 5.390 1.00 0.00 O ATOM 128 CB VAL A 10 4.878 -2.825 6.323 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.914 -1.895 6.943 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.844 -3.249 7.359 1.00 0.00 C ATOM 0 H VAL A 10 5.715 -1.090 4.115 1.00 0.00 H new ATOM 0 HA VAL A 10 3.437 -2.853 4.720 1.00 0.00 H new ATOM 0 HB VAL A 10 5.395 -3.719 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.372 -2.383 7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.682 -1.663 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.429 -0.973 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.348 -3.706 8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.285 -2.375 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.158 -3.970 6.914 1.00 0.00 H new ATOM 140 N ALA A 11 2.282 -0.932 5.928 1.00 0.00 N ATOM 141 CA ALA A 11 1.525 0.246 6.303 1.00 0.00 C ATOM 142 C ALA A 11 1.612 0.516 7.799 1.00 0.00 C ATOM 143 O ALA A 11 1.664 -0.408 8.614 1.00 0.00 O ATOM 144 CB ALA A 11 0.084 0.083 5.881 1.00 0.00 C ATOM 0 H ALA A 11 1.771 -1.809 6.029 1.00 0.00 H new ATOM 0 HA ALA A 11 1.958 1.105 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.481 0.971 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.034 -0.049 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.343 -0.791 6.373 1.00 0.00 H new ATOM 150 N LYS A 12 1.613 1.792 8.149 1.00 0.00 N ATOM 151 CA LYS A 12 1.699 2.211 9.536 1.00 0.00 C ATOM 152 C LYS A 12 0.308 2.337 10.141 1.00 0.00 C ATOM 153 O LYS A 12 0.044 1.811 11.222 1.00 0.00 O ATOM 154 CB LYS A 12 2.436 3.546 9.637 1.00 0.00 C ATOM 155 CG LYS A 12 2.546 4.091 11.057 1.00 0.00 C ATOM 156 CD LYS A 12 3.415 3.209 11.945 1.00 0.00 C ATOM 157 CE LYS A 12 4.827 3.087 11.392 1.00 0.00 C ATOM 158 NZ LYS A 12 5.489 4.412 11.237 1.00 0.00 N ATOM 0 H LYS A 12 1.554 2.562 7.483 1.00 0.00 H new ATOM 0 HA LYS A 12 2.254 1.456 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.439 3.427 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.922 4.280 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.964 5.097 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.550 4.172 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.451 3.626 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.967 2.218 12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.422 2.461 12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.794 2.584 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.399 4.290 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.878 5.042 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.653 4.830 12.175 1.00 0.00 H new ATOM 172 N PHE A 13 -0.584 3.029 9.439 1.00 0.00 N ATOM 173 CA PHE A 13 -1.927 3.275 9.952 1.00 0.00 C ATOM 174 C PHE A 13 -2.988 2.901 8.930 1.00 0.00 C ATOM 175 O PHE A 13 -2.730 2.870 7.730 1.00 0.00 O ATOM 176 CB PHE A 13 -2.095 4.743 10.349 1.00 0.00 C ATOM 177 CG PHE A 13 -1.377 5.125 11.610 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.742 4.565 12.823 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.346 6.051 11.583 1.00 0.00 C ATOM 180 CE1 PHE A 13 -1.090 4.917 13.987 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.311 6.409 12.745 1.00 0.00 C ATOM 182 CZ PHE A 13 -0.062 5.840 13.949 1.00 0.00 C ATOM 0 H PHE A 13 -0.402 3.428 8.518 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.057 2.647 10.833 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.735 5.372 9.535 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.157 4.956 10.470 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.546 3.845 12.858 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.053 6.497 10.644 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.383 4.472 14.926 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.113 7.131 12.713 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.450 6.117 14.859 1.00 0.00 H new ATOM 192 N ASP A 14 -4.176 2.607 9.440 1.00 0.00 N ATOM 193 CA ASP A 14 -5.329 2.255 8.618 1.00 0.00 C ATOM 194 C ASP A 14 -5.716 3.400 7.689 1.00 0.00 C ATOM 195 O ASP A 14 -5.805 4.555 8.117 1.00 0.00 O ATOM 196 CB ASP A 14 -6.527 1.923 9.511 1.00 0.00 C ATOM 197 CG ASP A 14 -6.191 0.948 10.620 1.00 0.00 C ATOM 198 OD1 ASP A 14 -6.082 -0.262 10.343 1.00 0.00 O ATOM 199 OD2 ASP A 14 -6.038 1.388 11.779 1.00 0.00 O ATOM 0 H ASP A 14 -4.370 2.606 10.441 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.054 1.388 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.912 2.844 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.325 1.505 8.897 1.00 0.00 H new ATOM 204 N TYR A 15 -5.952 3.076 6.424 1.00 0.00 N ATOM 205 CA TYR A 15 -6.432 4.049 5.452 1.00 0.00 C ATOM 206 C TYR A 15 -7.551 3.449 4.603 1.00 0.00 C ATOM 207 O TYR A 15 -7.334 2.528 3.812 1.00 0.00 O ATOM 208 CB TYR A 15 -5.291 4.547 4.558 1.00 0.00 C ATOM 209 CG TYR A 15 -5.766 5.260 3.309 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.479 6.449 3.387 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.523 4.720 2.052 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.930 7.083 2.244 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.973 5.347 0.907 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.674 6.529 1.008 1.00 0.00 C ATOM 215 OH TYR A 15 -7.126 7.159 -0.129 1.00 0.00 O ATOM 0 H TYR A 15 -5.817 2.139 6.045 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.828 4.904 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.658 5.223 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.671 3.699 4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.684 6.885 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.973 3.794 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.481 8.009 2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.777 4.913 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.862 6.640 -0.917 1.00 0.00 H new ATOM 225 N VAL A 16 -8.752 3.977 4.777 1.00 0.00 N ATOM 226 CA VAL A 16 -9.899 3.516 4.016 1.00 0.00 C ATOM 227 C VAL A 16 -9.960 4.233 2.671 1.00 0.00 C ATOM 228 O VAL A 16 -9.895 5.462 2.606 1.00 0.00 O ATOM 229 CB VAL A 16 -11.223 3.740 4.781 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.395 3.185 3.992 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.158 3.103 6.157 1.00 0.00 C ATOM 0 H VAL A 16 -8.957 4.725 5.439 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.777 2.444 3.858 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.370 4.813 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.319 3.352 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.455 3.688 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.254 2.116 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.099 3.271 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.986 2.032 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.342 3.548 6.726 1.00 0.00 H new ATOM 241 N ALA A 17 -10.087 3.461 1.602 1.00 0.00 N ATOM 242 CA ALA A 17 -10.126 4.011 0.262 1.00 0.00 C ATOM 243 C ALA A 17 -11.563 4.289 -0.139 1.00 0.00 C ATOM 244 O ALA A 17 -12.487 4.001 0.617 1.00 0.00 O ATOM 245 CB ALA A 17 -9.487 3.040 -0.714 1.00 0.00 C ATOM 0 H ALA A 17 -10.165 2.445 1.641 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.568 4.947 0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.520 3.460 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.450 2.866 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.032 2.096 -0.697 1.00 0.00 H new ATOM 251 N GLN A 18 -11.760 4.836 -1.327 1.00 0.00 N ATOM 252 CA GLN A 18 -13.103 5.120 -1.798 1.00 0.00 C ATOM 253 C GLN A 18 -13.669 3.936 -2.565 1.00 0.00 C ATOM 254 O GLN A 18 -14.705 3.382 -2.203 1.00 0.00 O ATOM 255 CB GLN A 18 -13.111 6.361 -2.676 1.00 0.00 C ATOM 256 CG GLN A 18 -12.841 7.637 -1.907 1.00 0.00 C ATOM 257 CD GLN A 18 -12.292 8.727 -2.790 1.00 0.00 C ATOM 258 OE1 GLN A 18 -13.023 9.569 -3.309 1.00 0.00 O ATOM 259 NE2 GLN A 18 -10.995 8.678 -2.991 1.00 0.00 N ATOM 0 H GLN A 18 -11.015 5.090 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.733 5.302 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.360 6.250 -3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.078 6.441 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.764 7.980 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.134 7.432 -1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.435 7.958 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.548 9.360 -3.603 1.00 0.00 H new ATOM 268 N GLN A 19 -12.974 3.551 -3.619 1.00 0.00 N ATOM 269 CA GLN A 19 -13.405 2.443 -4.452 1.00 0.00 C ATOM 270 C GLN A 19 -12.203 1.653 -4.936 1.00 0.00 C ATOM 271 O GLN A 19 -11.074 1.945 -4.547 1.00 0.00 O ATOM 272 CB GLN A 19 -14.217 2.954 -5.648 1.00 0.00 C ATOM 273 CG GLN A 19 -15.702 2.642 -5.558 1.00 0.00 C ATOM 274 CD GLN A 19 -15.982 1.153 -5.611 1.00 0.00 C ATOM 275 OE1 GLN A 19 -15.246 0.394 -6.243 1.00 0.00 O ATOM 276 NE2 GLN A 19 -17.033 0.721 -4.936 1.00 0.00 N ATOM 0 H GLN A 19 -12.105 3.991 -3.920 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.041 1.789 -3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.086 4.033 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.817 2.514 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.101 3.052 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.225 3.137 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.618 1.382 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.259 -0.274 -4.926 1.00 0.00 H new ATOM 285 N GLU A 20 -12.453 0.672 -5.799 1.00 0.00 N ATOM 286 CA GLU A 20 -11.394 -0.155 -6.383 1.00 0.00 C ATOM 287 C GLU A 20 -10.477 0.692 -7.276 1.00 0.00 C ATOM 288 O GLU A 20 -9.395 0.262 -7.676 1.00 0.00 O ATOM 289 CB GLU A 20 -12.027 -1.301 -7.181 1.00 0.00 C ATOM 290 CG GLU A 20 -11.031 -2.269 -7.795 1.00 0.00 C ATOM 291 CD GLU A 20 -11.693 -3.257 -8.734 1.00 0.00 C ATOM 292 OE1 GLU A 20 -12.239 -4.271 -8.252 1.00 0.00 O ATOM 293 OE2 GLU A 20 -11.661 -3.025 -9.964 1.00 0.00 O ATOM 0 H GLU A 20 -13.391 0.426 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.783 -0.574 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.697 -1.857 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.640 -0.877 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.271 -1.708 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.519 -2.813 -7.001 1.00 0.00 H new ATOM 300 N GLN A 21 -10.933 1.900 -7.592 1.00 0.00 N ATOM 301 CA GLN A 21 -10.130 2.873 -8.328 1.00 0.00 C ATOM 302 C GLN A 21 -8.964 3.354 -7.462 1.00 0.00 C ATOM 303 O GLN A 21 -7.954 3.851 -7.962 1.00 0.00 O ATOM 304 CB GLN A 21 -11.001 4.067 -8.732 1.00 0.00 C ATOM 305 CG GLN A 21 -11.447 4.910 -7.547 1.00 0.00 C ATOM 306 CD GLN A 21 -12.437 5.995 -7.919 1.00 0.00 C ATOM 307 OE1 GLN A 21 -13.248 5.832 -8.829 1.00 0.00 O ATOM 308 NE2 GLN A 21 -12.356 7.121 -7.232 1.00 0.00 N ATOM 0 H GLN A 21 -11.866 2.232 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.734 2.397 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.445 4.695 -9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.881 3.704 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.897 4.260 -6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.572 5.369 -7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.668 7.214 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.981 7.897 -7.449 1.00 0.00 H new ATOM 317 N GLU A 22 -9.124 3.190 -6.154 1.00 0.00 N ATOM 318 CA GLU A 22 -8.126 3.604 -5.182 1.00 0.00 C ATOM 319 C GLU A 22 -7.471 2.364 -4.586 1.00 0.00 C ATOM 320 O GLU A 22 -7.819 1.244 -4.955 1.00 0.00 O ATOM 321 CB GLU A 22 -8.791 4.417 -4.065 1.00 0.00 C ATOM 322 CG GLU A 22 -9.662 5.565 -4.554 1.00 0.00 C ATOM 323 CD GLU A 22 -8.873 6.685 -5.196 1.00 0.00 C ATOM 324 OE1 GLU A 22 -8.564 6.590 -6.399 1.00 0.00 O ATOM 325 OE2 GLU A 22 -8.580 7.677 -4.505 1.00 0.00 O ATOM 0 H GLU A 22 -9.953 2.765 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.374 4.223 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.401 3.747 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.015 4.818 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.386 5.182 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.229 5.965 -3.713 1.00 0.00 H new ATOM 332 N LEU A 23 -6.541 2.553 -3.663 1.00 0.00 N ATOM 333 CA LEU A 23 -5.941 1.425 -2.968 1.00 0.00 C ATOM 334 C LEU A 23 -6.340 1.471 -1.493 1.00 0.00 C ATOM 335 O LEU A 23 -6.206 2.510 -0.847 1.00 0.00 O ATOM 336 CB LEU A 23 -4.416 1.462 -3.101 1.00 0.00 C ATOM 337 CG LEU A 23 -3.724 0.099 -3.018 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.585 -0.361 -1.584 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.505 -0.931 -3.813 1.00 0.00 C ATOM 0 H LEU A 23 -6.188 3.467 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.301 0.498 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.161 1.924 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.014 2.105 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.725 0.205 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.090 -1.332 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.992 0.363 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.573 -0.446 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.004 -1.897 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.513 -1.016 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.559 -0.620 -4.856 1.00 0.00 H new ATOM 351 N ASP A 24 -6.840 0.366 -0.965 1.00 0.00 N ATOM 352 CA ASP A 24 -7.204 0.307 0.445 1.00 0.00 C ATOM 353 C ASP A 24 -6.125 -0.412 1.242 1.00 0.00 C ATOM 354 O ASP A 24 -5.660 -1.487 0.855 1.00 0.00 O ATOM 355 CB ASP A 24 -8.562 -0.380 0.634 1.00 0.00 C ATOM 356 CG ASP A 24 -8.567 -1.824 0.179 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.603 -2.065 -1.045 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.539 -2.728 1.042 1.00 0.00 O ATOM 0 H ASP A 24 -7.003 -0.497 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.289 1.328 0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.841 -0.336 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.321 0.172 0.080 1.00 0.00 H new ATOM 363 N ILE A 25 -5.707 0.199 2.340 1.00 0.00 N ATOM 364 CA ILE A 25 -4.661 -0.369 3.173 1.00 0.00 C ATOM 365 C ILE A 25 -5.087 -0.353 4.639 1.00 0.00 C ATOM 366 O ILE A 25 -6.041 0.328 5.009 1.00 0.00 O ATOM 367 CB ILE A 25 -3.318 0.389 3.011 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.390 1.785 3.622 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.924 0.494 1.544 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.434 1.972 4.774 1.00 0.00 C ATOM 0 H ILE A 25 -6.077 1.089 2.674 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.507 -1.398 2.847 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.559 -0.185 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.172 2.525 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.407 1.973 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.979 1.030 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.813 -0.506 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.697 1.033 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.531 2.984 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.667 1.254 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.412 1.814 4.428 1.00 0.00 H new ATOM 382 N LYS A 26 -4.381 -1.090 5.478 1.00 0.00 N ATOM 383 CA LYS A 26 -4.741 -1.177 6.883 1.00 0.00 C ATOM 384 C LYS A 26 -3.496 -1.052 7.751 1.00 0.00 C ATOM 385 O LYS A 26 -2.379 -1.175 7.253 1.00 0.00 O ATOM 386 CB LYS A 26 -5.453 -2.503 7.160 1.00 0.00 C ATOM 387 CG LYS A 26 -6.557 -2.394 8.197 1.00 0.00 C ATOM 388 CD LYS A 26 -7.708 -1.535 7.691 1.00 0.00 C ATOM 389 CE LYS A 26 -8.683 -1.172 8.803 1.00 0.00 C ATOM 390 NZ LYS A 26 -9.187 -2.370 9.525 1.00 0.00 N ATOM 0 H LYS A 26 -3.560 -1.634 5.214 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.419 -0.359 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.876 -2.880 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.720 -3.236 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.925 -3.389 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.156 -1.964 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.311 -0.623 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.239 -2.069 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.191 -0.504 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.525 -0.624 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.945 -2.088 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.559 -3.058 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.410 -2.803 10.063 1.00 0.00 H new ATOM 404 N LYS A 27 -3.687 -0.803 9.040 1.00 0.00 N ATOM 405 CA LYS A 27 -2.573 -0.712 9.972 1.00 0.00 C ATOM 406 C LYS A 27 -1.805 -2.027 10.014 1.00 0.00 C ATOM 407 O LYS A 27 -2.392 -3.091 10.222 1.00 0.00 O ATOM 408 CB LYS A 27 -3.084 -0.349 11.368 1.00 0.00 C ATOM 409 CG LYS A 27 -2.029 -0.436 12.459 1.00 0.00 C ATOM 410 CD LYS A 27 -2.611 -0.080 13.814 1.00 0.00 C ATOM 411 CE LYS A 27 -1.646 -0.397 14.945 1.00 0.00 C ATOM 412 NZ LYS A 27 -2.241 -0.101 16.273 1.00 0.00 N ATOM 0 H LYS A 27 -4.604 -0.660 9.463 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.896 0.071 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.484 0.665 11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.911 -1.012 11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.617 -1.445 12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.204 0.238 12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.860 0.981 13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.541 -0.628 13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.364 -1.449 14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.733 0.184 14.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.554 -0.329 17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.487 0.908 16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.099 -0.674 16.405 1.00 0.00 H new ATOM 426 N ASN A 28 -0.497 -1.942 9.788 1.00 0.00 N ATOM 427 CA ASN A 28 0.390 -3.112 9.827 1.00 0.00 C ATOM 428 C ASN A 28 0.066 -4.077 8.680 1.00 0.00 C ATOM 429 O ASN A 28 0.328 -5.275 8.759 1.00 0.00 O ATOM 430 CB ASN A 28 0.289 -3.823 11.191 1.00 0.00 C ATOM 431 CG ASN A 28 1.392 -4.846 11.422 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.580 -4.565 10.909 1.00 0.00 O flip ATOM 433 ND2 ASN A 28 1.180 -5.872 12.075 1.00 0.00 N flip ATOM 0 H ASN A 28 -0.019 -1.067 9.573 1.00 0.00 H new ATOM 0 HA ASN A 28 1.417 -2.769 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.323 -3.077 11.985 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.678 -4.320 11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.250 -6.052 12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.935 -6.539 12.236 1.00 0.00 H new ATOM 440 N GLU A 29 -0.493 -3.540 7.606 1.00 0.00 N ATOM 441 CA GLU A 29 -0.777 -4.327 6.414 1.00 0.00 C ATOM 442 C GLU A 29 0.384 -4.192 5.441 1.00 0.00 C ATOM 443 O GLU A 29 1.011 -3.140 5.375 1.00 0.00 O ATOM 444 CB GLU A 29 -2.073 -3.841 5.762 1.00 0.00 C ATOM 445 CG GLU A 29 -2.538 -4.690 4.593 1.00 0.00 C ATOM 446 CD GLU A 29 -2.926 -6.091 5.012 1.00 0.00 C ATOM 447 OE1 GLU A 29 -4.048 -6.272 5.525 1.00 0.00 O ATOM 448 OE2 GLU A 29 -2.112 -7.018 4.835 1.00 0.00 O ATOM 0 H GLU A 29 -0.760 -2.558 7.535 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.900 -5.375 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.860 -3.819 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.932 -2.816 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.391 -4.208 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.744 -4.744 3.849 1.00 0.00 H new ATOM 455 N ARG A 30 0.686 -5.240 4.698 1.00 0.00 N ATOM 456 CA ARG A 30 1.788 -5.175 3.750 1.00 0.00 C ATOM 457 C ARG A 30 1.249 -4.803 2.372 1.00 0.00 C ATOM 458 O ARG A 30 0.182 -5.276 1.971 1.00 0.00 O ATOM 459 CB ARG A 30 2.530 -6.513 3.684 1.00 0.00 C ATOM 460 CG ARG A 30 1.970 -7.455 2.637 1.00 0.00 C ATOM 461 CD ARG A 30 2.584 -8.843 2.724 1.00 0.00 C ATOM 462 NE ARG A 30 2.156 -9.565 3.918 1.00 0.00 N ATOM 463 CZ ARG A 30 2.912 -10.454 4.561 1.00 0.00 C ATOM 464 NH1 ARG A 30 4.148 -10.708 4.143 1.00 0.00 N ATOM 465 NH2 ARG A 30 2.428 -11.082 5.625 1.00 0.00 N ATOM 0 H ARG A 30 0.195 -6.133 4.729 1.00 0.00 H new ATOM 0 HA ARG A 30 2.494 -4.414 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.583 -6.327 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.483 -6.996 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.889 -7.530 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.151 -7.041 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.309 -9.415 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.671 -8.758 2.724 1.00 0.00 H new ATOM 0 HE ARG A 30 1.222 -9.378 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.521 -10.222 3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.724 -11.389 4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.481 -10.883 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.003 -11.763 6.120 1.00 0.00 H new ATOM 479 N LEU A 31 1.964 -3.945 1.659 1.00 0.00 N ATOM 480 CA LEU A 31 1.552 -3.551 0.318 1.00 0.00 C ATOM 481 C LEU A 31 2.701 -3.744 -0.666 1.00 0.00 C ATOM 482 O LEU A 31 3.852 -3.889 -0.269 1.00 0.00 O ATOM 483 CB LEU A 31 1.074 -2.087 0.261 1.00 0.00 C ATOM 484 CG LEU A 31 -0.143 -1.712 1.120 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.210 -2.792 1.070 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.266 -1.412 2.555 1.00 0.00 C ATOM 0 H LEU A 31 2.828 -3.510 1.983 1.00 0.00 H new ATOM 0 HA LEU A 31 0.713 -4.190 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.906 -1.448 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.842 -1.848 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.573 -0.803 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.057 -2.495 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.542 -2.928 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.797 -3.729 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.617 -1.150 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.740 -2.292 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.969 -0.579 2.566 1.00 0.00 H new ATOM 498 N TRP A 32 2.380 -3.745 -1.943 1.00 0.00 N ATOM 499 CA TRP A 32 3.383 -3.840 -3.001 1.00 0.00 C ATOM 500 C TRP A 32 3.687 -2.452 -3.531 1.00 0.00 C ATOM 501 O TRP A 32 2.801 -1.794 -4.064 1.00 0.00 O ATOM 502 CB TRP A 32 2.875 -4.708 -4.156 1.00 0.00 C ATOM 503 CG TRP A 32 2.950 -6.190 -3.930 1.00 0.00 C ATOM 504 CD1 TRP A 32 3.826 -7.050 -4.519 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.119 -6.989 -3.072 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.589 -8.332 -4.096 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.549 -8.323 -3.201 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.055 -6.709 -2.209 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.954 -9.371 -2.502 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.467 -7.748 -1.515 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.916 -9.065 -1.666 1.00 0.00 C ATOM 0 H TRP A 32 1.421 -3.680 -2.284 1.00 0.00 H new ATOM 0 HA TRP A 32 4.282 -4.294 -2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.838 -4.441 -4.360 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.449 -4.465 -5.050 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.597 -6.763 -5.219 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.103 -9.160 -4.398 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.699 -5.697 -2.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.300 -10.388 -2.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.354 -7.541 -0.844 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.433 -9.856 -1.111 1.00 0.00 H new ATOM 522 N LEU A 33 4.923 -2.002 -3.390 1.00 0.00 N ATOM 523 CA LEU A 33 5.276 -0.656 -3.817 1.00 0.00 C ATOM 524 C LEU A 33 5.892 -0.668 -5.206 1.00 0.00 C ATOM 525 O LEU A 33 6.984 -1.197 -5.412 1.00 0.00 O ATOM 526 CB LEU A 33 6.229 0.000 -2.817 1.00 0.00 C ATOM 527 CG LEU A 33 6.558 1.467 -3.107 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.279 2.267 -3.278 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.394 2.058 -1.985 1.00 0.00 C ATOM 0 H LEU A 33 5.691 -2.540 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 33 4.359 -0.068 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.791 -0.069 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.159 -0.569 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 33 7.133 1.515 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.526 3.309 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.703 1.860 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.688 2.208 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.618 3.101 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.840 1.999 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.325 1.499 -1.892 1.00 0.00 H new ATOM 541 N LEU A 34 5.182 -0.080 -6.158 1.00 0.00 N ATOM 542 CA LEU A 34 5.651 -0.033 -7.532 1.00 0.00 C ATOM 543 C LEU A 34 6.298 1.315 -7.823 1.00 0.00 C ATOM 544 O LEU A 34 7.477 1.390 -8.181 1.00 0.00 O ATOM 545 CB LEU A 34 4.495 -0.280 -8.518 1.00 0.00 C ATOM 546 CG LEU A 34 3.743 -1.612 -8.363 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.710 -2.754 -8.093 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.684 -1.521 -7.272 1.00 0.00 C ATOM 0 H LEU A 34 4.280 0.370 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 34 6.391 -0.822 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.777 0.533 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.892 -0.227 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 34 3.233 -1.820 -9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.153 -3.685 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.410 -2.842 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.261 -2.555 -7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.168 -2.477 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.160 -1.278 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.965 -0.743 -7.527 1.00 0.00 H new ATOM 560 N ASP A 35 5.524 2.379 -7.645 1.00 0.00 N ATOM 561 CA ASP A 35 5.997 3.726 -7.938 1.00 0.00 C ATOM 562 C ASP A 35 6.240 4.522 -6.668 1.00 0.00 C ATOM 563 O ASP A 35 5.443 4.479 -5.729 1.00 0.00 O ATOM 564 CB ASP A 35 5.001 4.484 -8.817 1.00 0.00 C ATOM 565 CG ASP A 35 4.964 3.990 -10.247 1.00 0.00 C ATOM 566 OD1 ASP A 35 4.348 2.935 -10.507 1.00 0.00 O ATOM 567 OD2 ASP A 35 5.540 4.671 -11.120 1.00 0.00 O ATOM 0 H ASP A 35 4.566 2.335 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 35 6.940 3.615 -8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.005 4.395 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.257 5.543 -8.813 1.00 0.00 H new ATOM 628 N TRP A 40 1.581 10.735 -3.862 1.00 0.00 N ATOM 629 CA TRP A 40 1.127 9.504 -3.216 1.00 0.00 C ATOM 630 C TRP A 40 2.054 8.338 -3.552 1.00 0.00 C ATOM 631 O TRP A 40 3.126 8.526 -4.134 1.00 0.00 O ATOM 632 CB TRP A 40 -0.307 9.161 -3.634 1.00 0.00 C ATOM 633 CG TRP A 40 -1.289 10.274 -3.420 1.00 0.00 C ATOM 634 CD1 TRP A 40 -1.661 10.831 -2.229 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.039 10.956 -4.432 1.00 0.00 C ATOM 636 NE1 TRP A 40 -2.589 11.823 -2.443 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.837 11.918 -3.786 1.00 0.00 C ATOM 638 CE3 TRP A 40 -2.108 10.848 -5.825 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.695 12.764 -4.484 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -2.960 11.688 -6.516 1.00 0.00 C ATOM 641 CH2 TRP A 40 -3.744 12.636 -5.845 1.00 0.00 C ATOM 0 HA TRP A 40 1.148 9.672 -2.139 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.311 8.885 -4.689 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.638 8.286 -3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -1.282 10.536 -1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.022 12.395 -1.718 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.506 10.121 -6.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.300 13.495 -3.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.023 11.613 -7.592 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.400 13.278 -6.414 1.00 0.00 H new ATOM 652 N TRP A 41 1.656 7.143 -3.149 1.00 0.00 N ATOM 653 CA TRP A 41 2.383 5.940 -3.504 1.00 0.00 C ATOM 654 C TRP A 41 1.485 4.976 -4.259 1.00 0.00 C ATOM 655 O TRP A 41 0.369 4.682 -3.831 1.00 0.00 O ATOM 656 CB TRP A 41 2.970 5.263 -2.262 1.00 0.00 C ATOM 657 CG TRP A 41 4.316 5.800 -1.886 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.082 6.650 -2.623 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.070 5.508 -0.702 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.251 6.919 -1.968 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.275 6.227 -0.792 1.00 0.00 C ATOM 662 CE3 TRP A 41 4.847 4.716 0.426 1.00 0.00 C ATOM 663 CZ2 TRP A 41 7.251 6.181 0.198 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.820 4.666 1.409 1.00 0.00 C ATOM 665 CH2 TRP A 41 7.008 5.395 1.289 1.00 0.00 C ATOM 0 H TRP A 41 0.830 6.982 -2.573 1.00 0.00 H new ATOM 0 HA TRP A 41 3.209 6.228 -4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.285 5.395 -1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.050 4.191 -2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.806 7.054 -3.586 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.988 7.538 -2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.932 4.152 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.167 6.746 0.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.659 4.054 2.284 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.747 5.335 2.074 1.00 0.00 H new ATOM 676 N ARG A 42 1.980 4.501 -5.388 1.00 0.00 N ATOM 677 CA ARG A 42 1.244 3.561 -6.214 1.00 0.00 C ATOM 678 C ARG A 42 1.538 2.148 -5.743 1.00 0.00 C ATOM 679 O ARG A 42 2.624 1.612 -5.986 1.00 0.00 O ATOM 680 CB ARG A 42 1.639 3.737 -7.680 1.00 0.00 C ATOM 681 CG ARG A 42 0.854 2.878 -8.660 1.00 0.00 C ATOM 682 CD ARG A 42 1.348 3.100 -10.083 1.00 0.00 C ATOM 683 NE ARG A 42 0.675 2.244 -11.057 1.00 0.00 N ATOM 684 CZ ARG A 42 1.311 1.586 -12.028 1.00 0.00 C ATOM 685 NH1 ARG A 42 2.636 1.639 -12.122 1.00 0.00 N ATOM 686 NH2 ARG A 42 0.610 0.868 -12.899 1.00 0.00 N ATOM 0 H ARG A 42 2.897 4.754 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 42 0.174 3.749 -6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.511 4.784 -7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.699 3.508 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.957 1.826 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.207 3.120 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.195 4.144 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.421 2.914 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.338 2.144 -10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.174 2.185 -11.449 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.115 1.133 -12.867 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.406 0.823 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.088 0.362 -13.644 1.00 0.00 H new ATOM 700 N VAL A 43 0.577 1.561 -5.050 1.00 0.00 N ATOM 701 CA VAL A 43 0.778 0.272 -4.415 1.00 0.00 C ATOM 702 C VAL A 43 -0.321 -0.716 -4.758 1.00 0.00 C ATOM 703 O VAL A 43 -1.429 -0.333 -5.128 1.00 0.00 O ATOM 704 CB VAL A 43 0.841 0.399 -2.881 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.156 1.023 -2.438 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.332 1.215 -2.377 1.00 0.00 C ATOM 0 H VAL A 43 -0.352 1.959 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 43 1.729 -0.098 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 43 0.784 -0.601 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.174 1.101 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.985 0.399 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.252 2.017 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.278 1.298 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.300 2.211 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.264 0.724 -2.657 1.00 0.00 H new ATOM 716 N ARG A 44 0.015 -1.988 -4.623 1.00 0.00 N ATOM 717 CA ARG A 44 -0.939 -3.076 -4.755 1.00 0.00 C ATOM 718 C ARG A 44 -1.138 -3.726 -3.389 1.00 0.00 C ATOM 719 O ARG A 44 -0.175 -3.999 -2.683 1.00 0.00 O ATOM 720 CB ARG A 44 -0.440 -4.092 -5.783 1.00 0.00 C ATOM 721 CG ARG A 44 -1.270 -5.358 -5.833 1.00 0.00 C ATOM 722 CD ARG A 44 -0.630 -6.395 -6.739 1.00 0.00 C ATOM 723 NE ARG A 44 -1.091 -7.754 -6.459 1.00 0.00 N ATOM 724 CZ ARG A 44 -0.455 -8.845 -6.884 1.00 0.00 C ATOM 725 NH1 ARG A 44 0.634 -8.734 -7.635 1.00 0.00 N ATOM 726 NH2 ARG A 44 -0.919 -10.050 -6.580 1.00 0.00 N ATOM 0 H ARG A 44 0.965 -2.297 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.896 -2.692 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.439 -3.628 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.593 -4.353 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.378 -5.766 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.272 -5.126 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.850 -6.148 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.453 -6.353 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.943 -7.873 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.987 -7.811 -7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.118 -9.572 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.766 -10.144 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.429 -10.883 -6.907 1.00 0.00 H new ATOM 740 N ASN A 45 -2.386 -3.934 -3.008 1.00 0.00 N ATOM 741 CA ASN A 45 -2.707 -4.466 -1.686 1.00 0.00 C ATOM 742 C ASN A 45 -2.980 -5.965 -1.733 1.00 0.00 C ATOM 743 O ASN A 45 -2.832 -6.604 -2.776 1.00 0.00 O ATOM 744 CB ASN A 45 -3.918 -3.722 -1.103 1.00 0.00 C ATOM 745 CG ASN A 45 -5.217 -3.997 -1.840 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.224 -4.416 -3.000 1.00 0.00 O ATOM 747 ND2 ASN A 45 -6.324 -3.731 -1.175 1.00 0.00 N ATOM 0 H ASN A 45 -3.199 -3.743 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.842 -4.310 -1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.037 -4.004 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.719 -2.651 -1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.232 -3.870 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.273 -3.386 -0.217 1.00 0.00 H new ATOM 754 N SER A 46 -3.391 -6.518 -0.594 1.00 0.00 N ATOM 755 CA SER A 46 -3.678 -7.943 -0.474 1.00 0.00 C ATOM 756 C SER A 46 -4.883 -8.347 -1.327 1.00 0.00 C ATOM 757 O SER A 46 -5.061 -9.519 -1.649 1.00 0.00 O ATOM 758 CB SER A 46 -3.927 -8.297 0.995 1.00 0.00 C ATOM 759 OG SER A 46 -2.838 -7.885 1.807 1.00 0.00 O ATOM 0 H SER A 46 -3.534 -5.992 0.268 1.00 0.00 H new ATOM 0 HA SER A 46 -2.813 -8.496 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.844 -7.818 1.338 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.073 -9.373 1.094 1.00 0.00 H new ATOM 0 HG SER A 46 -3.019 -8.120 2.741 1.00 0.00 H new ATOM 765 N MET A 47 -5.707 -7.368 -1.694 1.00 0.00 N ATOM 766 CA MET A 47 -6.846 -7.615 -2.572 1.00 0.00 C ATOM 767 C MET A 47 -6.392 -7.581 -4.031 1.00 0.00 C ATOM 768 O MET A 47 -7.204 -7.670 -4.956 1.00 0.00 O ATOM 769 CB MET A 47 -7.950 -6.575 -2.321 1.00 0.00 C ATOM 770 CG MET A 47 -9.277 -6.844 -3.038 1.00 0.00 C ATOM 771 SD MET A 47 -10.172 -8.292 -2.410 1.00 0.00 S ATOM 772 CE MET A 47 -9.286 -9.642 -3.185 1.00 0.00 C ATOM 0 H MET A 47 -5.607 -6.397 -1.397 1.00 0.00 H new ATOM 0 HA MET A 47 -7.255 -8.602 -2.356 1.00 0.00 H new ATOM 0 HB2 MET A 47 -8.139 -6.522 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.581 -5.596 -2.629 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.915 -5.965 -2.942 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.082 -6.983 -4.102 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.996 -10.396 -3.525 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.721 -9.265 -4.038 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.601 -10.088 -2.465 1.00 0.00 H new ATOM 782 N ASN A 48 -5.077 -7.445 -4.217 1.00 0.00 N ATOM 783 CA ASN A 48 -4.436 -7.491 -5.535 1.00 0.00 C ATOM 784 C ASN A 48 -4.869 -6.313 -6.397 1.00 0.00 C ATOM 785 O ASN A 48 -4.683 -6.312 -7.611 1.00 0.00 O ATOM 786 CB ASN A 48 -4.727 -8.816 -6.253 1.00 0.00 C ATOM 787 CG ASN A 48 -4.412 -10.027 -5.392 1.00 0.00 C ATOM 788 OD1 ASN A 48 -3.275 -10.504 -5.353 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.422 -10.536 -4.703 1.00 0.00 N ATOM 0 H ASN A 48 -4.420 -7.298 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.360 -7.422 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.777 -8.845 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.141 -8.864 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.275 -11.354 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.347 -10.110 -4.764 1.00 0.00 H new ATOM 796 N LYS A 49 -5.426 -5.301 -5.755 1.00 0.00 N ATOM 797 CA LYS A 49 -5.840 -4.090 -6.437 1.00 0.00 C ATOM 798 C LYS A 49 -4.717 -3.074 -6.369 1.00 0.00 C ATOM 799 O LYS A 49 -3.741 -3.282 -5.650 1.00 0.00 O ATOM 800 CB LYS A 49 -7.120 -3.530 -5.810 1.00 0.00 C ATOM 801 CG LYS A 49 -8.296 -4.490 -5.890 1.00 0.00 C ATOM 802 CD LYS A 49 -8.548 -4.946 -7.318 1.00 0.00 C ATOM 803 CE LYS A 49 -9.694 -5.941 -7.387 1.00 0.00 C ATOM 804 NZ LYS A 49 -9.385 -7.201 -6.662 1.00 0.00 N ATOM 0 H LYS A 49 -5.603 -5.296 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.055 -4.317 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.929 -3.287 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.385 -2.599 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.102 -5.357 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.190 -4.005 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.776 -4.082 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.644 -5.402 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.591 -5.490 -6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.914 -6.168 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.442 -8.004 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.425 -7.146 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.071 -7.336 -5.892 1.00 0.00 H new ATOM 818 N THR A 50 -4.829 -1.998 -7.127 1.00 0.00 N ATOM 819 CA THR A 50 -3.791 -0.988 -7.149 1.00 0.00 C ATOM 820 C THR A 50 -4.391 0.411 -7.176 1.00 0.00 C ATOM 821 O THR A 50 -5.482 0.625 -7.705 1.00 0.00 O ATOM 822 CB THR A 50 -2.867 -1.163 -8.359 1.00 0.00 C ATOM 823 OG1 THR A 50 -2.518 -2.546 -8.499 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.604 -0.339 -8.193 1.00 0.00 C ATOM 0 H THR A 50 -5.626 -1.803 -7.733 1.00 0.00 H new ATOM 0 HA THR A 50 -3.207 -1.112 -6.237 1.00 0.00 H new ATOM 0 HB THR A 50 -3.393 -0.821 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.928 -2.658 -9.274 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.962 -0.478 -9.063 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.867 0.715 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.075 -0.661 -7.296 1.00 0.00 H new ATOM 832 N GLY A 51 -3.652 1.348 -6.613 1.00 0.00 N ATOM 833 CA GLY A 51 -4.095 2.720 -6.524 1.00 0.00 C ATOM 834 C GLY A 51 -3.067 3.579 -5.828 1.00 0.00 C ATOM 835 O GLY A 51 -1.927 3.146 -5.640 1.00 0.00 O ATOM 0 H GLY A 51 -2.732 1.177 -6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.283 3.110 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.039 2.766 -5.982 1.00 0.00 H new ATOM 839 N PHE A 52 -3.455 4.781 -5.438 1.00 0.00 N ATOM 840 CA PHE A 52 -2.542 5.698 -4.769 1.00 0.00 C ATOM 841 C PHE A 52 -2.921 5.878 -3.306 1.00 0.00 C ATOM 842 O PHE A 52 -4.071 6.178 -2.981 1.00 0.00 O ATOM 843 CB PHE A 52 -2.519 7.051 -5.485 1.00 0.00 C ATOM 844 CG PHE A 52 -1.882 6.998 -6.844 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.516 7.181 -6.988 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.645 6.759 -7.974 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.076 7.131 -8.235 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.059 6.709 -9.225 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.696 6.893 -9.356 1.00 0.00 C ATOM 0 H PHE A 52 -4.397 5.147 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.542 5.265 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.541 7.418 -5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.981 7.771 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.093 7.365 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.710 6.610 -7.877 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.141 7.278 -8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.666 6.526 -10.099 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.235 6.851 -10.332 1.00 0.00 H new ATOM 859 N VAL A 53 -1.945 5.675 -2.434 1.00 0.00 N ATOM 860 CA VAL A 53 -2.148 5.816 -0.997 1.00 0.00 C ATOM 861 C VAL A 53 -1.261 6.919 -0.418 1.00 0.00 C ATOM 862 O VAL A 53 -0.262 7.307 -1.025 1.00 0.00 O ATOM 863 CB VAL A 53 -1.840 4.501 -0.250 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.813 3.408 -0.649 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.410 4.063 -0.512 1.00 0.00 C ATOM 0 H VAL A 53 -0.996 5.410 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.197 6.076 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.957 4.683 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.574 2.492 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.829 3.718 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.737 3.227 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.210 3.134 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.268 3.904 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.276 4.836 -0.166 1.00 0.00 H new ATOM 875 N PRO A 54 -1.619 7.435 0.770 1.00 0.00 N ATOM 876 CA PRO A 54 -0.819 8.443 1.473 1.00 0.00 C ATOM 877 C PRO A 54 0.509 7.877 1.974 1.00 0.00 C ATOM 878 O PRO A 54 0.539 6.886 2.706 1.00 0.00 O ATOM 879 CB PRO A 54 -1.708 8.848 2.654 1.00 0.00 C ATOM 880 CG PRO A 54 -2.609 7.682 2.871 1.00 0.00 C ATOM 881 CD PRO A 54 -2.841 7.086 1.515 1.00 0.00 C ATOM 0 HA PRO A 54 -0.550 9.276 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.113 9.059 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.276 9.751 2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.153 6.956 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.549 7.994 3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.982 6.007 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.731 7.500 1.042 1.00 0.00 H new ATOM 889 N SER A 55 1.598 8.537 1.600 1.00 0.00 N ATOM 890 CA SER A 55 2.949 8.092 1.941 1.00 0.00 C ATOM 891 C SER A 55 3.219 8.176 3.445 1.00 0.00 C ATOM 892 O SER A 55 4.251 7.719 3.922 1.00 0.00 O ATOM 893 CB SER A 55 3.978 8.921 1.171 1.00 0.00 C ATOM 894 OG SER A 55 3.719 8.886 -0.226 1.00 0.00 O ATOM 0 H SER A 55 1.573 9.397 1.051 1.00 0.00 H new ATOM 0 HA SER A 55 3.036 7.044 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.956 9.952 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.979 8.538 1.368 1.00 0.00 H new ATOM 0 HG SER A 55 4.030 8.033 -0.595 1.00 0.00 H new ATOM 900 N ASN A 56 2.309 8.796 4.180 1.00 0.00 N ATOM 901 CA ASN A 56 2.455 8.908 5.627 1.00 0.00 C ATOM 902 C ASN A 56 1.810 7.726 6.343 1.00 0.00 C ATOM 903 O ASN A 56 2.211 7.363 7.450 1.00 0.00 O ATOM 904 CB ASN A 56 1.845 10.216 6.126 1.00 0.00 C ATOM 905 CG ASN A 56 2.626 11.433 5.667 1.00 0.00 C ATOM 906 OD1 ASN A 56 3.846 11.379 5.499 1.00 0.00 O ATOM 907 ND2 ASN A 56 1.931 12.536 5.455 1.00 0.00 N ATOM 0 H ASN A 56 1.465 9.228 3.803 1.00 0.00 H new ATOM 0 HA ASN A 56 3.521 8.903 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.817 10.293 5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.806 10.203 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.403 13.384 5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.922 12.540 5.606 1.00 0.00 H new ATOM 914 N TYR A 57 0.822 7.110 5.702 1.00 0.00 N ATOM 915 CA TYR A 57 0.098 6.001 6.315 1.00 0.00 C ATOM 916 C TYR A 57 0.696 4.669 5.893 1.00 0.00 C ATOM 917 O TYR A 57 0.530 3.665 6.577 1.00 0.00 O ATOM 918 CB TYR A 57 -1.391 6.059 5.966 1.00 0.00 C ATOM 919 CG TYR A 57 -2.155 7.097 6.759 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.036 8.453 6.481 1.00 0.00 C ATOM 921 CD2 TYR A 57 -2.987 6.715 7.799 1.00 0.00 C ATOM 922 CE1 TYR A 57 -2.727 9.396 7.219 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.681 7.650 8.541 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.548 8.990 8.249 1.00 0.00 C ATOM 925 OH TYR A 57 -4.231 9.925 8.993 1.00 0.00 O ATOM 0 H TYR A 57 0.505 7.357 4.764 1.00 0.00 H new ATOM 0 HA TYR A 57 0.195 6.093 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.499 6.273 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.836 5.079 6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.393 8.776 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.095 5.666 8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.624 10.446 6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.326 7.332 9.347 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.765 9.471 9.678 1.00 0.00 H new ATOM 935 N VAL A 58 1.394 4.665 4.766 1.00 0.00 N ATOM 936 CA VAL A 58 2.129 3.488 4.329 1.00 0.00 C ATOM 937 C VAL A 58 3.619 3.811 4.292 1.00 0.00 C ATOM 938 O VAL A 58 3.992 4.953 4.039 1.00 0.00 O ATOM 939 CB VAL A 58 1.675 2.995 2.936 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.213 2.621 2.936 1.00 0.00 C ATOM 941 CG2 VAL A 58 1.954 4.037 1.871 1.00 0.00 C ATOM 0 H VAL A 58 1.466 5.465 4.137 1.00 0.00 H new ATOM 0 HA VAL A 58 1.926 2.688 5.041 1.00 0.00 H new ATOM 0 HB VAL A 58 2.254 2.101 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.075 2.278 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.042 1.823 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.385 3.491 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.625 3.663 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.415 4.954 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.024 4.244 1.836 1.00 0.00 H new ATOM 951 N GLU A 59 4.467 2.826 4.556 1.00 0.00 N ATOM 952 CA GLU A 59 5.905 3.070 4.634 1.00 0.00 C ATOM 953 C GLU A 59 6.702 1.979 3.930 1.00 0.00 C ATOM 954 O GLU A 59 6.169 0.923 3.585 1.00 0.00 O ATOM 955 CB GLU A 59 6.359 3.188 6.089 1.00 0.00 C ATOM 956 CG GLU A 59 5.610 4.254 6.866 1.00 0.00 C ATOM 957 CD GLU A 59 6.237 4.551 8.208 1.00 0.00 C ATOM 958 OE1 GLU A 59 6.585 3.604 8.936 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.365 5.744 8.558 1.00 0.00 O ATOM 0 H GLU A 59 4.190 1.858 4.719 1.00 0.00 H new ATOM 0 HA GLU A 59 6.097 4.014 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.225 2.226 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.425 3.413 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.575 5.170 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.580 3.932 7.015 1.00 0.00 H new