USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 663 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 16 THR OG1 : rot 24:sc= -0.733 USER MOD Set 1.2: A 31 MET CE :methyl -114:sc= -0.401 (180deg=-2.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.644 K(o=-0.64,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-2) USER MOD Single : A 39 SER OG : rot 180:sc= -0.695 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 65 SER OG : rot 150:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.121 F(o=-0.72,f=-0.12) USER MOD Single : A 75 MET CE :methyl 150:sc= -6.35! (180deg=-11.6!) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= -0.0561 (180deg=-0.599) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.359 -14.734 -0.472 1.00 0.00 N ATOM 72 CA ASP A 5 -3.725 -15.621 -1.563 1.00 0.00 C ATOM 73 C ASP A 5 -3.905 -14.802 -2.842 1.00 0.00 C ATOM 74 O ASP A 5 -3.924 -13.573 -2.800 1.00 0.00 O ATOM 75 CB ASP A 5 -5.045 -16.338 -1.271 1.00 0.00 C ATOM 76 CG ASP A 5 -5.188 -16.875 0.155 1.00 0.00 C ATOM 77 OD1 ASP A 5 -6.068 -16.444 0.914 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.336 -17.787 0.482 1.00 0.00 O ATOM 0 HA ASP A 5 -2.931 -16.359 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.866 -15.649 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.152 -17.169 -1.968 1.00 0.00 H new ATOM 84 N ASP A 6 -4.031 -15.517 -3.951 1.00 0.00 N ATOM 85 CA ASP A 6 -4.208 -14.872 -5.241 1.00 0.00 C ATOM 86 C ASP A 6 -5.195 -13.711 -5.095 1.00 0.00 C ATOM 87 O ASP A 6 -5.072 -12.697 -5.780 1.00 0.00 O ATOM 88 CB ASP A 6 -4.776 -15.848 -6.272 1.00 0.00 C ATOM 89 CG ASP A 6 -3.766 -16.368 -7.297 1.00 0.00 C ATOM 90 OD1 ASP A 6 -2.718 -16.923 -6.935 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.094 -16.180 -8.530 1.00 0.00 O ATOM 0 H ASP A 6 -4.014 -16.536 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.233 -14.519 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.207 -16.699 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.591 -15.357 -6.804 1.00 0.00 H new ATOM 97 N ILE A 7 -6.151 -13.900 -4.197 1.00 0.00 N ATOM 98 CA ILE A 7 -7.159 -12.882 -3.953 1.00 0.00 C ATOM 99 C ILE A 7 -6.476 -11.600 -3.471 1.00 0.00 C ATOM 100 O ILE A 7 -6.746 -10.517 -3.987 1.00 0.00 O ATOM 101 CB ILE A 7 -8.229 -13.406 -2.993 1.00 0.00 C ATOM 102 CG1 ILE A 7 -8.864 -14.690 -3.530 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.274 -12.330 -2.696 1.00 0.00 C ATOM 104 CD1 ILE A 7 -8.558 -15.878 -2.615 1.00 0.00 C ATOM 0 H ILE A 7 -6.249 -14.742 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.684 -12.637 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.748 -13.655 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.943 -14.559 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.489 -14.893 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.023 -12.729 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.788 -11.467 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.757 -12.026 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.021 -16.778 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.479 -16.021 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.955 -15.682 -1.619 1.00 0.00 H new ATOM 116 N ALA A 8 -5.604 -11.766 -2.487 1.00 0.00 N ATOM 117 CA ALA A 8 -4.880 -10.636 -1.930 1.00 0.00 C ATOM 118 C ALA A 8 -4.419 -9.721 -3.066 1.00 0.00 C ATOM 119 O ALA A 8 -4.272 -8.515 -2.876 1.00 0.00 O ATOM 120 CB ALA A 8 -3.714 -11.145 -1.081 1.00 0.00 C ATOM 0 H ALA A 8 -5.383 -12.666 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.527 -10.050 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.171 -10.297 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.097 -11.765 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.042 -11.736 -1.703 1.00 0.00 H new ATOM 126 N LYS A 9 -4.203 -10.330 -4.223 1.00 0.00 N ATOM 127 CA LYS A 9 -3.762 -9.585 -5.390 1.00 0.00 C ATOM 128 C LYS A 9 -4.873 -8.630 -5.830 1.00 0.00 C ATOM 129 O LYS A 9 -4.683 -7.415 -5.840 1.00 0.00 O ATOM 130 CB LYS A 9 -3.299 -10.541 -6.492 1.00 0.00 C ATOM 131 CG LYS A 9 -1.977 -10.073 -7.103 1.00 0.00 C ATOM 132 CD LYS A 9 -1.222 -11.243 -7.736 1.00 0.00 C ATOM 133 CE LYS A 9 -0.639 -12.165 -6.663 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.702 -13.577 -7.103 1.00 0.00 N ATOM 0 H LYS A 9 -4.325 -11.331 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.894 -8.973 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.180 -11.544 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.061 -10.603 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.170 -9.310 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.359 -9.611 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.895 -11.809 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.420 -10.863 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.395 -11.887 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.191 -12.043 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.302 -14.189 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.693 -13.843 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.155 -13.692 -7.980 1.00 0.00 H new ATOM 147 N ARG A 10 -6.007 -9.216 -6.184 1.00 0.00 N ATOM 148 CA ARG A 10 -7.149 -8.432 -6.624 1.00 0.00 C ATOM 149 C ARG A 10 -7.616 -7.500 -5.504 1.00 0.00 C ATOM 150 O ARG A 10 -8.284 -6.500 -5.763 1.00 0.00 O ATOM 151 CB ARG A 10 -8.309 -9.337 -7.044 1.00 0.00 C ATOM 152 CG ARG A 10 -9.090 -9.828 -5.823 1.00 0.00 C ATOM 153 CD ARG A 10 -10.447 -9.127 -5.722 1.00 0.00 C ATOM 154 NE ARG A 10 -11.346 -9.891 -4.828 1.00 0.00 N ATOM 155 CZ ARG A 10 -12.026 -10.995 -5.202 1.00 0.00 C ATOM 156 NH1 ARG A 10 -11.916 -11.475 -6.459 1.00 0.00 N ATOM 157 NH2 ARG A 10 -12.801 -11.599 -4.320 1.00 0.00 N ATOM 0 H ARG A 10 -6.160 -10.224 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.835 -7.841 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.976 -8.793 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.925 -10.191 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.238 -10.906 -5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.512 -9.641 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.315 -8.115 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.894 -9.038 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.459 -9.562 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.315 -11.003 -7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.434 -12.310 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.879 -11.230 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.322 -12.435 -4.586 1.00 0.00 H new ATOM 170 N LYS A 11 -7.247 -7.861 -4.284 1.00 0.00 N ATOM 171 CA LYS A 11 -7.620 -7.070 -3.124 1.00 0.00 C ATOM 172 C LYS A 11 -6.846 -5.750 -3.142 1.00 0.00 C ATOM 173 O LYS A 11 -7.417 -4.688 -2.898 1.00 0.00 O ATOM 174 CB LYS A 11 -7.428 -7.878 -1.840 1.00 0.00 C ATOM 175 CG LYS A 11 -8.651 -7.758 -0.928 1.00 0.00 C ATOM 176 CD LYS A 11 -8.319 -8.204 0.497 1.00 0.00 C ATOM 177 CE LYS A 11 -9.553 -8.123 1.398 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.157 -8.173 2.824 1.00 0.00 N ATOM 0 H LYS A 11 -6.693 -8.691 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.680 -6.819 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.256 -8.925 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.541 -7.525 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.001 -6.726 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.465 -8.366 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.941 -9.226 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.526 -7.576 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.097 -7.200 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.230 -8.947 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.006 -8.117 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.657 -9.065 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.529 -7.372 3.038 1.00 0.00 H new ATOM 191 N ILE A 12 -5.558 -5.860 -3.433 1.00 0.00 N ATOM 192 CA ILE A 12 -4.700 -4.689 -3.486 1.00 0.00 C ATOM 193 C ILE A 12 -5.399 -3.585 -4.280 1.00 0.00 C ATOM 194 O ILE A 12 -5.485 -2.446 -3.824 1.00 0.00 O ATOM 195 CB ILE A 12 -3.320 -5.061 -4.033 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.210 -4.391 -3.220 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.215 -4.734 -5.524 1.00 0.00 C ATOM 198 CD1 ILE A 12 -1.833 -3.034 -3.819 1.00 0.00 C ATOM 0 H ILE A 12 -5.088 -6.743 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.526 -4.299 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.190 -6.138 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.539 -4.259 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.333 -5.037 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.225 -5.008 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.971 -5.294 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.374 -3.666 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.042 -2.580 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.482 -3.173 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.706 -2.382 -3.821 1.00 0.00 H new ATOM 210 N ARG A 13 -5.882 -3.961 -5.456 1.00 0.00 N ATOM 211 CA ARG A 13 -6.571 -3.016 -6.318 1.00 0.00 C ATOM 212 C ARG A 13 -7.978 -2.739 -5.785 1.00 0.00 C ATOM 213 O ARG A 13 -8.348 -1.586 -5.568 1.00 0.00 O ATOM 214 CB ARG A 13 -6.672 -3.548 -7.749 1.00 0.00 C ATOM 215 CG ARG A 13 -5.858 -2.683 -8.714 1.00 0.00 C ATOM 216 CD ARG A 13 -5.920 -3.243 -10.137 1.00 0.00 C ATOM 217 NE ARG A 13 -6.623 -2.290 -11.025 1.00 0.00 N ATOM 218 CZ ARG A 13 -6.642 -2.384 -12.371 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.994 -3.389 -12.998 1.00 0.00 N ATOM 220 NH2 ARG A 13 -7.302 -1.477 -13.067 1.00 0.00 N ATOM 0 H ARG A 13 -5.810 -4.907 -5.831 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.993 -2.092 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.312 -4.576 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.716 -3.564 -8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.240 -1.662 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.821 -2.638 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.912 -3.424 -10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.437 -4.202 -10.137 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.124 -1.514 -10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.485 -4.085 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.014 -3.452 -14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.788 -0.720 -12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.326 -1.534 -14.085 1.00 0.00 H new ATOM 233 N PHE A 14 -8.725 -3.816 -5.588 1.00 0.00 N ATOM 234 CA PHE A 14 -10.083 -3.704 -5.084 1.00 0.00 C ATOM 235 C PHE A 14 -10.149 -2.739 -3.898 1.00 0.00 C ATOM 236 O PHE A 14 -11.201 -2.165 -3.619 1.00 0.00 O ATOM 237 CB PHE A 14 -10.503 -5.099 -4.616 1.00 0.00 C ATOM 238 CG PHE A 14 -11.969 -5.196 -4.190 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.957 -4.959 -5.093 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.284 -5.521 -2.907 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.318 -5.050 -4.697 1.00 0.00 C ATOM 242 CE2 PHE A 14 -13.645 -5.612 -2.511 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.633 -5.374 -3.415 1.00 0.00 C ATOM 0 H PHE A 14 -8.415 -4.771 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.740 -3.323 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.321 -5.811 -5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.871 -5.396 -3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.707 -4.701 -6.112 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.499 -5.710 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.103 -4.862 -5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.895 -5.870 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.668 -5.442 -3.114 1.00 0.00 H new ATOM 253 N GLN A 15 -9.014 -2.591 -3.232 1.00 0.00 N ATOM 254 CA GLN A 15 -8.930 -1.706 -2.083 1.00 0.00 C ATOM 255 C GLN A 15 -8.691 -0.265 -2.539 1.00 0.00 C ATOM 256 O GLN A 15 -9.425 0.642 -2.150 1.00 0.00 O ATOM 257 CB GLN A 15 -7.835 -2.164 -1.117 1.00 0.00 C ATOM 258 CG GLN A 15 -8.432 -2.929 0.066 1.00 0.00 C ATOM 259 CD GLN A 15 -8.830 -1.973 1.192 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.728 -0.763 1.079 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.288 -2.582 2.282 1.00 0.00 N ATOM 0 H GLN A 15 -8.144 -3.069 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.879 -1.745 -1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.123 -2.800 -1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.281 -1.299 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.305 -3.492 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.708 -3.653 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.348 -3.600 2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.580 -2.031 3.089 1.00 0.00 H new ATOM 270 N THR A 16 -7.662 -0.100 -3.357 1.00 0.00 N ATOM 271 CA THR A 16 -7.318 1.215 -3.870 1.00 0.00 C ATOM 272 C THR A 16 -8.541 1.875 -4.510 1.00 0.00 C ATOM 273 O THR A 16 -9.257 1.244 -5.285 1.00 0.00 O ATOM 274 CB THR A 16 -6.141 1.053 -4.834 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.470 -0.107 -5.593 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.844 0.674 -4.117 1.00 0.00 C ATOM 0 H THR A 16 -7.055 -0.855 -3.677 1.00 0.00 H new ATOM 0 HA THR A 16 -7.010 1.884 -3.067 1.00 0.00 H new ATOM 0 HB THR A 16 -5.993 1.982 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.440 -0.243 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.041 0.572 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.584 1.452 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.981 -0.272 -3.593 1.00 0.00 H new ATOM 284 N ARG A 17 -8.742 3.137 -4.161 1.00 0.00 N ATOM 285 CA ARG A 17 -9.866 3.890 -4.691 1.00 0.00 C ATOM 286 C ARG A 17 -9.414 5.287 -5.122 1.00 0.00 C ATOM 287 O ARG A 17 -8.411 5.798 -4.627 1.00 0.00 O ATOM 288 CB ARG A 17 -10.981 4.020 -3.651 1.00 0.00 C ATOM 289 CG ARG A 17 -12.323 4.322 -4.322 1.00 0.00 C ATOM 290 CD ARG A 17 -13.489 4.014 -3.379 1.00 0.00 C ATOM 291 NE ARG A 17 -14.688 3.641 -4.162 1.00 0.00 N ATOM 292 CZ ARG A 17 -15.833 3.176 -3.618 1.00 0.00 C ATOM 293 NH1 ARG A 17 -15.943 3.023 -2.282 1.00 0.00 N ATOM 294 NH2 ARG A 17 -16.842 2.873 -4.413 1.00 0.00 N ATOM 0 H ARG A 17 -8.145 3.657 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.251 3.347 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.057 3.097 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.735 4.815 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.358 5.370 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.420 3.730 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.218 3.202 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.706 4.884 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.647 3.741 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.158 3.259 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.811 2.671 -1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.750 2.991 -5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.714 2.520 -4.018 1.00 0.00 H new ATOM 307 N ARG A 18 -10.176 5.864 -6.039 1.00 0.00 N ATOM 308 CA ARG A 18 -9.866 7.192 -6.542 1.00 0.00 C ATOM 309 C ARG A 18 -10.529 8.258 -5.668 1.00 0.00 C ATOM 310 O ARG A 18 -10.691 9.401 -6.093 1.00 0.00 O ATOM 311 CB ARG A 18 -10.342 7.358 -7.986 1.00 0.00 C ATOM 312 CG ARG A 18 -11.863 7.222 -8.082 1.00 0.00 C ATOM 313 CD ARG A 18 -12.256 6.218 -9.168 1.00 0.00 C ATOM 314 NE ARG A 18 -13.617 5.698 -8.907 1.00 0.00 N ATOM 315 CZ ARG A 18 -14.433 5.201 -9.861 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.032 5.153 -11.149 1.00 0.00 N ATOM 317 NH2 ARG A 18 -15.629 4.763 -9.516 1.00 0.00 N ATOM 0 H ARG A 18 -11.007 5.437 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.783 7.314 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.036 8.334 -8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.866 6.608 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.264 6.900 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.305 8.193 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.222 6.696 -10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.541 5.395 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.960 5.716 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.106 5.494 -11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.655 4.776 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.925 4.803 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.258 4.385 -10.225 1.00 0.00 H new ATOM 330 N GLY A 19 -10.893 7.847 -4.462 1.00 0.00 N ATOM 331 CA GLY A 19 -11.534 8.753 -3.524 1.00 0.00 C ATOM 332 C GLY A 19 -10.940 10.159 -3.627 1.00 0.00 C ATOM 333 O GLY A 19 -11.635 11.149 -3.403 1.00 0.00 O ATOM 0 H GLY A 19 -10.756 6.898 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.605 8.791 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.412 8.376 -2.508 1.00 0.00 H new ATOM 337 N LEU A 20 -9.660 10.202 -3.966 1.00 0.00 N ATOM 338 CA LEU A 20 -8.964 11.471 -4.101 1.00 0.00 C ATOM 339 C LEU A 20 -8.199 11.489 -5.426 1.00 0.00 C ATOM 340 O LEU A 20 -7.574 10.498 -5.800 1.00 0.00 O ATOM 341 CB LEU A 20 -8.082 11.731 -2.878 1.00 0.00 C ATOM 342 CG LEU A 20 -8.783 12.344 -1.664 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.568 13.596 -2.058 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.667 11.311 -0.962 1.00 0.00 C ATOM 0 H LEU A 20 -9.087 9.379 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.677 12.295 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.630 10.787 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.268 12.393 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.020 12.654 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.056 14.012 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.886 14.336 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.322 13.334 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.154 11.772 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.425 10.948 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.053 10.475 -0.626 1.00 0.00 H new ATOM 356 N LEU A 21 -8.273 12.628 -6.099 1.00 0.00 N ATOM 357 CA LEU A 21 -7.595 12.788 -7.375 1.00 0.00 C ATOM 358 C LEU A 21 -6.194 12.180 -7.283 1.00 0.00 C ATOM 359 O LEU A 21 -5.969 11.059 -7.735 1.00 0.00 O ATOM 360 CB LEU A 21 -7.601 14.257 -7.803 1.00 0.00 C ATOM 361 CG LEU A 21 -7.043 14.551 -9.198 1.00 0.00 C ATOM 362 CD1 LEU A 21 -7.766 13.724 -10.263 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.093 16.049 -9.503 1.00 0.00 C ATOM 0 H LEU A 21 -8.792 13.448 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.126 12.249 -8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.626 14.624 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.026 14.829 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.995 14.253 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.351 13.952 -11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.635 12.663 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.828 13.967 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.691 16.231 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.126 16.395 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.498 16.590 -8.767 1.00 0.00 H new ATOM 375 N GLU A 22 -5.288 12.947 -6.694 1.00 0.00 N ATOM 376 CA GLU A 22 -3.915 12.498 -6.537 1.00 0.00 C ATOM 377 C GLU A 22 -3.882 11.022 -6.135 1.00 0.00 C ATOM 378 O GLU A 22 -3.255 10.206 -6.808 1.00 0.00 O ATOM 379 CB GLU A 22 -3.169 13.361 -5.517 1.00 0.00 C ATOM 380 CG GLU A 22 -1.762 13.701 -6.012 1.00 0.00 C ATOM 381 CD GLU A 22 -1.778 14.955 -6.889 1.00 0.00 C ATOM 382 OE1 GLU A 22 -2.815 15.281 -7.486 1.00 0.00 O ATOM 383 OE2 GLU A 22 -0.662 15.600 -6.938 1.00 0.00 O ATOM 0 H GLU A 22 -5.478 13.877 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.406 12.605 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.727 14.280 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.106 12.833 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.101 13.857 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.359 12.862 -6.579 1.00 0.00 H new ATOM 391 N LEU A 23 -4.566 10.725 -5.039 1.00 0.00 N ATOM 392 CA LEU A 23 -4.623 9.362 -4.540 1.00 0.00 C ATOM 393 C LEU A 23 -4.888 8.407 -5.705 1.00 0.00 C ATOM 394 O LEU A 23 -4.161 7.433 -5.892 1.00 0.00 O ATOM 395 CB LEU A 23 -5.645 9.248 -3.407 1.00 0.00 C ATOM 396 CG LEU A 23 -5.313 8.243 -2.302 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.165 7.324 -2.724 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.020 8.956 -0.981 1.00 0.00 C ATOM 0 H LEU A 23 -5.085 11.405 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.666 9.076 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.765 10.231 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.608 8.977 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.188 7.613 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.949 6.619 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.450 6.775 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.277 7.922 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.787 8.218 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.170 9.626 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.894 9.533 -0.677 1.00 0.00 H new ATOM 410 N ASP A 24 -5.932 8.719 -6.458 1.00 0.00 N ATOM 411 CA ASP A 24 -6.303 7.901 -7.601 1.00 0.00 C ATOM 412 C ASP A 24 -5.081 7.706 -8.501 1.00 0.00 C ATOM 413 O ASP A 24 -4.802 6.593 -8.943 1.00 0.00 O ATOM 414 CB ASP A 24 -7.398 8.575 -8.429 1.00 0.00 C ATOM 415 CG ASP A 24 -7.971 7.720 -9.561 1.00 0.00 C ATOM 416 OD1 ASP A 24 -8.898 8.138 -10.271 1.00 0.00 O ATOM 417 OD2 ASP A 24 -7.418 6.563 -9.704 1.00 0.00 O ATOM 0 H ASP A 24 -6.533 9.527 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.671 6.946 -7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.212 8.862 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.996 9.494 -8.856 1.00 0.00 H new ATOM 423 N LEU A 25 -4.385 8.807 -8.746 1.00 0.00 N ATOM 424 CA LEU A 25 -3.200 8.771 -9.586 1.00 0.00 C ATOM 425 C LEU A 25 -2.106 7.967 -8.882 1.00 0.00 C ATOM 426 O LEU A 25 -1.473 7.106 -9.492 1.00 0.00 O ATOM 427 CB LEU A 25 -2.771 10.189 -9.968 1.00 0.00 C ATOM 428 CG LEU A 25 -3.903 11.190 -10.211 1.00 0.00 C ATOM 429 CD1 LEU A 25 -3.365 12.494 -10.801 1.00 0.00 C ATOM 430 CD2 LEU A 25 -4.999 10.575 -11.084 1.00 0.00 C ATOM 0 H LEU A 25 -4.619 9.729 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.415 8.263 -10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.131 10.579 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.163 10.132 -10.871 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.355 11.435 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.190 13.187 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.649 12.938 -10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.872 12.287 -11.751 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.792 11.306 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.577 10.284 -12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.410 9.696 -10.587 1.00 0.00 H new ATOM 442 N ILE A 26 -1.916 8.275 -7.607 1.00 0.00 N ATOM 443 CA ILE A 26 -0.909 7.591 -6.814 1.00 0.00 C ATOM 444 C ILE A 26 -0.995 6.086 -7.075 1.00 0.00 C ATOM 445 O ILE A 26 -0.039 5.480 -7.556 1.00 0.00 O ATOM 446 CB ILE A 26 -1.044 7.968 -5.337 1.00 0.00 C ATOM 447 CG1 ILE A 26 -0.815 9.467 -5.130 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.112 7.121 -4.468 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.427 9.937 -3.809 1.00 0.00 C ATOM 0 H ILE A 26 -2.443 8.989 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 26 0.090 7.909 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.065 7.752 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.254 9.680 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.255 10.024 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.227 7.409 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.364 6.067 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.921 7.283 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.250 11.006 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.500 9.745 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.967 9.396 -2.982 1.00 0.00 H new ATOM 461 N PHE A 27 -2.150 5.526 -6.746 1.00 0.00 N ATOM 462 CA PHE A 27 -2.374 4.104 -6.939 1.00 0.00 C ATOM 463 C PHE A 27 -2.070 3.691 -8.381 1.00 0.00 C ATOM 464 O PHE A 27 -1.900 2.507 -8.669 1.00 0.00 O ATOM 465 CB PHE A 27 -3.853 3.840 -6.647 1.00 0.00 C ATOM 466 CG PHE A 27 -4.225 3.956 -5.168 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.411 3.424 -4.217 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.371 4.592 -4.803 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.756 3.533 -2.844 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.716 4.701 -3.430 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.902 4.169 -2.480 1.00 0.00 C ATOM 0 H PHE A 27 -2.941 6.032 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.720 3.532 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.457 4.544 -7.219 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.109 2.841 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.502 2.918 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.018 5.014 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.109 3.111 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.625 5.207 -3.140 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.165 4.251 -1.436 1.00 0.00 H new ATOM 481 N GLY A 28 -2.010 4.691 -9.248 1.00 0.00 N ATOM 482 CA GLY A 28 -1.729 4.447 -10.653 1.00 0.00 C ATOM 483 C GLY A 28 -0.342 3.828 -10.835 1.00 0.00 C ATOM 484 O GLY A 28 -0.217 2.712 -11.337 1.00 0.00 O ATOM 0 H GLY A 28 -2.151 5.672 -9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.486 3.781 -11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.789 5.383 -11.208 1.00 0.00 H new ATOM 488 N ARG A 29 0.666 4.580 -10.417 1.00 0.00 N ATOM 489 CA ARG A 29 2.040 4.119 -10.528 1.00 0.00 C ATOM 490 C ARG A 29 2.416 3.272 -9.310 1.00 0.00 C ATOM 491 O ARG A 29 2.994 2.196 -9.452 1.00 0.00 O ATOM 492 CB ARG A 29 3.009 5.297 -10.640 1.00 0.00 C ATOM 493 CG ARG A 29 3.405 5.545 -12.097 1.00 0.00 C ATOM 494 CD ARG A 29 4.923 5.470 -12.273 1.00 0.00 C ATOM 495 NE ARG A 29 5.396 6.615 -13.083 1.00 0.00 N ATOM 496 CZ ARG A 29 6.687 6.999 -13.170 1.00 0.00 C ATOM 497 NH1 ARG A 29 7.648 6.330 -12.496 1.00 0.00 N ATOM 498 NH2 ARG A 29 6.997 8.037 -13.923 1.00 0.00 N ATOM 0 H ARG A 29 0.559 5.505 -10.001 1.00 0.00 H new ATOM 0 HA ARG A 29 2.115 3.515 -11.432 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.546 6.194 -10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.901 5.097 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.924 4.807 -12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.047 6.525 -12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.411 5.477 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.195 4.533 -12.759 1.00 0.00 H new ATOM 0 HE ARG A 29 4.703 7.147 -13.609 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.400 5.528 -11.916 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.621 6.627 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.266 8.537 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.968 8.340 -13.999 1.00 0.00 H new ATOM 511 N PHE A 30 2.072 3.791 -8.140 1.00 0.00 N ATOM 512 CA PHE A 30 2.366 3.097 -6.899 1.00 0.00 C ATOM 513 C PHE A 30 2.177 1.587 -7.057 1.00 0.00 C ATOM 514 O PHE A 30 2.902 0.800 -6.450 1.00 0.00 O ATOM 515 CB PHE A 30 1.379 3.616 -5.851 1.00 0.00 C ATOM 516 CG PHE A 30 1.291 2.747 -4.595 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.345 2.683 -3.737 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.159 2.039 -4.335 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.263 1.877 -2.571 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.078 1.233 -3.169 1.00 0.00 C ATOM 521 CZ PHE A 30 1.132 1.169 -2.312 1.00 0.00 C ATOM 0 H PHE A 30 1.592 4.684 -8.026 1.00 0.00 H new ATOM 0 HA PHE A 30 3.401 3.278 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.670 4.626 -5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.389 3.686 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.244 3.245 -3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.678 2.090 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.099 1.826 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.821 0.671 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.070 0.555 -1.425 1.00 0.00 H new ATOM 531 N MET A 31 1.199 1.228 -7.875 1.00 0.00 N ATOM 532 CA MET A 31 0.905 -0.174 -8.121 1.00 0.00 C ATOM 533 C MET A 31 1.904 -0.779 -9.109 1.00 0.00 C ATOM 534 O MET A 31 2.416 -1.875 -8.887 1.00 0.00 O ATOM 535 CB MET A 31 -0.512 -0.308 -8.681 1.00 0.00 C ATOM 536 CG MET A 31 -1.460 -0.902 -7.638 1.00 0.00 C ATOM 537 SD MET A 31 -2.669 0.316 -7.147 1.00 0.00 S ATOM 538 CE MET A 31 -3.804 0.197 -8.520 1.00 0.00 C ATOM 0 H MET A 31 0.600 1.884 -8.376 1.00 0.00 H new ATOM 0 HA MET A 31 0.985 -0.713 -7.177 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.877 0.670 -8.994 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.498 -0.942 -9.568 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.961 -1.779 -8.048 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.894 -1.236 -6.768 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.793 1.130 -9.083 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.502 -0.623 -9.171 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.810 0.011 -8.145 1.00 0.00 H new ATOM 548 N GLU A 32 2.152 -0.038 -10.179 1.00 0.00 N ATOM 549 CA GLU A 32 3.081 -0.487 -11.202 1.00 0.00 C ATOM 550 C GLU A 32 4.483 -0.649 -10.612 1.00 0.00 C ATOM 551 O GLU A 32 5.301 -1.399 -11.142 1.00 0.00 O ATOM 552 CB GLU A 32 3.094 0.476 -12.391 1.00 0.00 C ATOM 553 CG GLU A 32 2.951 -0.283 -13.712 1.00 0.00 C ATOM 554 CD GLU A 32 3.592 0.495 -14.864 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.689 0.137 -15.319 1.00 0.00 O ATOM 556 OE2 GLU A 32 2.909 1.504 -15.287 1.00 0.00 O ATOM 0 H GLU A 32 1.725 0.871 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 32 2.748 -1.458 -11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.281 1.195 -12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.024 1.045 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.420 -1.263 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.896 -0.453 -13.926 1.00 0.00 H new ATOM 564 N LYS A 33 4.718 0.068 -9.522 1.00 0.00 N ATOM 565 CA LYS A 33 6.007 0.013 -8.854 1.00 0.00 C ATOM 566 C LYS A 33 5.918 -0.938 -7.659 1.00 0.00 C ATOM 567 O LYS A 33 6.939 -1.351 -7.112 1.00 0.00 O ATOM 568 CB LYS A 33 6.480 1.421 -8.486 1.00 0.00 C ATOM 569 CG LYS A 33 7.951 1.620 -8.856 1.00 0.00 C ATOM 570 CD LYS A 33 8.470 2.962 -8.337 1.00 0.00 C ATOM 571 CE LYS A 33 9.809 2.791 -7.618 1.00 0.00 C ATOM 572 NZ LYS A 33 9.702 3.236 -6.210 1.00 0.00 N ATOM 0 H LYS A 33 4.037 0.690 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 33 6.767 -0.389 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.868 2.161 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.345 1.586 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.548 0.809 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.067 1.576 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.586 3.657 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.740 3.399 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.116 1.746 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.580 3.367 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.620 3.113 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.430 4.239 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.981 2.668 -5.720 1.00 0.00 H new ATOM 585 N GLU A 34 4.686 -1.259 -7.290 1.00 0.00 N ATOM 586 CA GLU A 34 4.450 -2.153 -6.170 1.00 0.00 C ATOM 587 C GLU A 34 3.629 -3.363 -6.620 1.00 0.00 C ATOM 588 O GLU A 34 4.169 -4.454 -6.798 1.00 0.00 O ATOM 589 CB GLU A 34 3.759 -1.420 -5.018 1.00 0.00 C ATOM 590 CG GLU A 34 4.578 -0.208 -4.571 1.00 0.00 C ATOM 591 CD GLU A 34 5.230 -0.458 -3.209 1.00 0.00 C ATOM 592 OE1 GLU A 34 5.048 0.340 -2.278 1.00 0.00 O ATOM 593 OE2 GLU A 34 5.948 -1.528 -3.137 1.00 0.00 O ATOM 0 H GLU A 34 3.841 -0.916 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 34 5.414 -2.508 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.766 -1.097 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.623 -2.101 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.347 0.009 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.934 0.670 -4.514 1.00 0.00 H new ATOM 601 N PHE A 35 2.336 -3.129 -6.793 1.00 0.00 N ATOM 602 CA PHE A 35 1.435 -4.186 -7.220 1.00 0.00 C ATOM 603 C PHE A 35 2.058 -5.019 -8.341 1.00 0.00 C ATOM 604 O PHE A 35 1.707 -6.184 -8.523 1.00 0.00 O ATOM 605 CB PHE A 35 0.169 -3.508 -7.748 1.00 0.00 C ATOM 606 CG PHE A 35 -0.696 -4.408 -8.633 1.00 0.00 C ATOM 607 CD1 PHE A 35 -1.008 -5.666 -8.224 1.00 0.00 C ATOM 608 CD2 PHE A 35 -1.152 -3.948 -9.829 1.00 0.00 C ATOM 609 CE1 PHE A 35 -1.811 -6.501 -9.046 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.954 -4.783 -10.651 1.00 0.00 C ATOM 611 CZ PHE A 35 -2.267 -6.042 -10.242 1.00 0.00 C ATOM 0 H PHE A 35 1.891 -2.223 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 35 1.222 -4.853 -6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.427 -3.166 -6.902 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.453 -2.622 -8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.645 -6.031 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.904 -2.948 -10.153 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.059 -7.501 -8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.316 -4.418 -11.601 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.878 -6.677 -10.867 1.00 0.00 H new ATOM 621 N GLU A 36 2.973 -4.389 -9.063 1.00 0.00 N ATOM 622 CA GLU A 36 3.650 -5.058 -10.162 1.00 0.00 C ATOM 623 C GLU A 36 4.078 -6.466 -9.744 1.00 0.00 C ATOM 624 O GLU A 36 3.799 -7.437 -10.445 1.00 0.00 O ATOM 625 CB GLU A 36 4.849 -4.241 -10.646 1.00 0.00 C ATOM 626 CG GLU A 36 5.720 -3.796 -9.470 1.00 0.00 C ATOM 627 CD GLU A 36 6.926 -4.722 -9.300 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.919 -4.337 -8.664 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.807 -5.880 -9.855 1.00 0.00 O ATOM 0 H GLU A 36 3.262 -3.423 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 36 2.952 -5.144 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.444 -4.837 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.500 -3.367 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.062 -2.774 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.128 -3.793 -8.555 1.00 0.00 H new ATOM 637 N HIS A 37 4.749 -6.531 -8.603 1.00 0.00 N ATOM 638 CA HIS A 37 5.219 -7.804 -8.083 1.00 0.00 C ATOM 639 C HIS A 37 5.387 -7.708 -6.566 1.00 0.00 C ATOM 640 O HIS A 37 6.479 -7.923 -6.044 1.00 0.00 O ATOM 641 CB HIS A 37 6.500 -8.242 -8.795 1.00 0.00 C ATOM 642 CG HIS A 37 6.833 -9.704 -8.615 1.00 0.00 C ATOM 643 ND1 HIS A 37 6.608 -10.384 -7.431 1.00 0.00 N ATOM 644 CD2 HIS A 37 7.377 -10.608 -9.480 1.00 0.00 C ATOM 645 CE1 HIS A 37 7.002 -11.639 -7.588 1.00 0.00 C ATOM 646 NE2 HIS A 37 7.479 -11.776 -8.859 1.00 0.00 N ATOM 0 H HIS A 37 4.978 -5.723 -8.024 1.00 0.00 H new ATOM 0 HA HIS A 37 4.478 -8.578 -8.283 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.402 -8.031 -9.860 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.332 -7.642 -8.426 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.674 -10.407 -10.499 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.954 -12.417 -6.841 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.852 -12.634 -9.265 1.00 0.00 H new ATOM 654 N LEU A 38 4.288 -7.385 -5.900 1.00 0.00 N ATOM 655 CA LEU A 38 4.300 -7.257 -4.453 1.00 0.00 C ATOM 656 C LEU A 38 4.739 -8.585 -3.832 1.00 0.00 C ATOM 657 O LEU A 38 4.364 -9.653 -4.313 1.00 0.00 O ATOM 658 CB LEU A 38 2.943 -6.761 -3.947 1.00 0.00 C ATOM 659 CG LEU A 38 2.656 -5.272 -4.150 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.204 -4.941 -3.801 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.645 -4.411 -3.361 1.00 0.00 C ATOM 0 H LEU A 38 3.383 -7.208 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 38 5.025 -6.504 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.160 -7.333 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.871 -6.983 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 38 2.795 -5.038 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.027 -3.876 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.536 -5.516 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.014 -5.194 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.419 -3.357 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.561 -4.641 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.660 -4.621 -3.699 1.00 0.00 H new ATOM 673 N SER A 39 5.527 -8.474 -2.772 1.00 0.00 N ATOM 674 CA SER A 39 6.021 -9.652 -2.081 1.00 0.00 C ATOM 675 C SER A 39 4.900 -10.279 -1.248 1.00 0.00 C ATOM 676 O SER A 39 3.824 -9.700 -1.115 1.00 0.00 O ATOM 677 CB SER A 39 7.215 -9.307 -1.189 1.00 0.00 C ATOM 678 OG SER A 39 7.628 -7.953 -1.350 1.00 0.00 O ATOM 0 H SER A 39 5.835 -7.586 -2.375 1.00 0.00 H new ATOM 0 HA SER A 39 6.356 -10.371 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.952 -9.484 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.047 -9.970 -1.425 1.00 0.00 H new ATOM 0 HG SER A 39 8.391 -7.772 -0.763 1.00 0.00 H new ATOM 684 N ASP A 40 5.192 -11.454 -0.710 1.00 0.00 N ATOM 685 CA ASP A 40 4.223 -12.165 0.105 1.00 0.00 C ATOM 686 C ASP A 40 4.002 -11.400 1.411 1.00 0.00 C ATOM 687 O ASP A 40 2.876 -11.021 1.730 1.00 0.00 O ATOM 688 CB ASP A 40 4.723 -13.567 0.458 1.00 0.00 C ATOM 689 CG ASP A 40 5.548 -14.253 -0.633 1.00 0.00 C ATOM 690 OD1 ASP A 40 6.533 -14.950 -0.346 1.00 0.00 O ATOM 691 OD2 ASP A 40 5.138 -14.047 -1.838 1.00 0.00 O ATOM 0 H ASP A 40 6.086 -11.931 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 40 3.297 -12.245 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.327 -13.504 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.863 -14.195 0.691 1.00 0.00 H new ATOM 697 N LYS A 41 5.095 -11.194 2.132 1.00 0.00 N ATOM 698 CA LYS A 41 5.035 -10.481 3.396 1.00 0.00 C ATOM 699 C LYS A 41 4.504 -9.066 3.153 1.00 0.00 C ATOM 700 O LYS A 41 3.645 -8.587 3.892 1.00 0.00 O ATOM 701 CB LYS A 41 6.395 -10.515 4.096 1.00 0.00 C ATOM 702 CG LYS A 41 6.424 -9.553 5.285 1.00 0.00 C ATOM 703 CD LYS A 41 7.663 -9.790 6.152 1.00 0.00 C ATOM 704 CE LYS A 41 7.388 -10.845 7.225 1.00 0.00 C ATOM 705 NZ LYS A 41 8.409 -10.774 8.294 1.00 0.00 N ATOM 0 H LYS A 41 6.027 -11.509 1.864 1.00 0.00 H new ATOM 0 HA LYS A 41 4.340 -10.971 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.607 -11.528 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.179 -10.247 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.419 -8.524 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.524 -9.685 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.494 -10.112 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.965 -8.855 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.396 -10.690 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.391 -11.838 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.208 -11.497 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.351 -10.944 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.387 -9.832 8.733 1.00 0.00 H new ATOM 718 N GLU A 42 5.038 -8.438 2.116 1.00 0.00 N ATOM 719 CA GLU A 42 4.628 -7.088 1.767 1.00 0.00 C ATOM 720 C GLU A 42 3.119 -7.038 1.522 1.00 0.00 C ATOM 721 O GLU A 42 2.444 -6.112 1.970 1.00 0.00 O ATOM 722 CB GLU A 42 5.398 -6.580 0.547 1.00 0.00 C ATOM 723 CG GLU A 42 6.156 -5.292 0.874 1.00 0.00 C ATOM 724 CD GLU A 42 7.570 -5.599 1.373 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.553 -5.227 0.716 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.626 -6.247 2.487 1.00 0.00 O ATOM 0 H GLU A 42 5.751 -8.839 1.506 1.00 0.00 H new ATOM 0 HA GLU A 42 4.862 -6.430 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.100 -7.344 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.706 -6.400 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.209 -4.662 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.613 -4.729 1.633 1.00 0.00 H new ATOM 734 N LEU A 43 2.632 -8.046 0.813 1.00 0.00 N ATOM 735 CA LEU A 43 1.215 -8.128 0.504 1.00 0.00 C ATOM 736 C LEU A 43 0.409 -8.058 1.802 1.00 0.00 C ATOM 737 O LEU A 43 -0.731 -7.597 1.805 1.00 0.00 O ATOM 738 CB LEU A 43 0.921 -9.373 -0.336 1.00 0.00 C ATOM 739 CG LEU A 43 1.133 -9.230 -1.844 1.00 0.00 C ATOM 740 CD1 LEU A 43 1.240 -10.601 -2.515 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.036 -8.368 -2.473 1.00 0.00 C ATOM 0 H LEU A 43 3.194 -8.813 0.444 1.00 0.00 H new ATOM 0 HA LEU A 43 0.909 -7.279 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.551 -10.187 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.113 -9.669 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 43 2.080 -8.716 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.390 -10.471 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.084 -11.147 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.322 -11.163 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.211 -8.282 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.935 -8.831 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.050 -7.375 -2.023 1.00 0.00 H new ATOM 753 N SER A 44 1.034 -8.522 2.875 1.00 0.00 N ATOM 754 CA SER A 44 0.389 -8.518 4.177 1.00 0.00 C ATOM 755 C SER A 44 0.190 -7.079 4.658 1.00 0.00 C ATOM 756 O SER A 44 -0.937 -6.652 4.902 1.00 0.00 O ATOM 757 CB SER A 44 1.206 -9.311 5.199 1.00 0.00 C ATOM 758 OG SER A 44 0.378 -10.112 6.038 1.00 0.00 O ATOM 0 H SER A 44 1.980 -8.903 2.869 1.00 0.00 H new ATOM 0 HA SER A 44 -0.584 -8.999 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.919 -9.949 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.786 -8.622 5.813 1.00 0.00 H new ATOM 0 HG SER A 44 0.937 -10.604 6.675 1.00 0.00 H new ATOM 764 N GLU A 45 1.303 -6.371 4.779 1.00 0.00 N ATOM 765 CA GLU A 45 1.266 -4.989 5.227 1.00 0.00 C ATOM 766 C GLU A 45 0.380 -4.155 4.299 1.00 0.00 C ATOM 767 O GLU A 45 -0.515 -3.447 4.761 1.00 0.00 O ATOM 768 CB GLU A 45 2.676 -4.401 5.312 1.00 0.00 C ATOM 769 CG GLU A 45 3.578 -5.267 6.195 1.00 0.00 C ATOM 770 CD GLU A 45 4.614 -6.014 5.353 1.00 0.00 C ATOM 771 OE1 GLU A 45 5.289 -5.401 4.512 1.00 0.00 O ATOM 772 OE2 GLU A 45 4.707 -7.277 5.598 1.00 0.00 O ATOM 0 H GLU A 45 2.236 -6.728 4.575 1.00 0.00 H new ATOM 0 HA GLU A 45 0.837 -4.964 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.104 -4.326 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.629 -3.390 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.084 -4.640 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.971 -5.982 6.750 1.00 0.00 H new ATOM 780 N PHE A 46 0.659 -4.265 3.009 1.00 0.00 N ATOM 781 CA PHE A 46 -0.102 -3.530 2.013 1.00 0.00 C ATOM 782 C PHE A 46 -1.605 -3.657 2.268 1.00 0.00 C ATOM 783 O PHE A 46 -2.318 -2.655 2.311 1.00 0.00 O ATOM 784 CB PHE A 46 0.227 -4.148 0.653 1.00 0.00 C ATOM 785 CG PHE A 46 0.906 -3.183 -0.322 1.00 0.00 C ATOM 786 CD1 PHE A 46 2.251 -2.989 -0.260 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.165 -2.521 -1.250 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.881 -2.093 -1.164 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.795 -1.625 -2.154 1.00 0.00 C ATOM 790 CZ PHE A 46 2.140 -1.431 -2.092 1.00 0.00 C ATOM 0 H PHE A 46 1.402 -4.852 2.630 1.00 0.00 H new ATOM 0 HA PHE A 46 0.158 -2.472 2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.876 -5.011 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.694 -4.517 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.839 -3.516 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.903 -2.676 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.949 -1.938 -1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.207 -1.098 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.619 -0.751 -2.780 1.00 0.00 H new ATOM 800 N SER A 47 -2.043 -4.897 2.429 1.00 0.00 N ATOM 801 CA SER A 47 -3.448 -5.168 2.678 1.00 0.00 C ATOM 802 C SER A 47 -3.877 -4.531 4.002 1.00 0.00 C ATOM 803 O SER A 47 -5.066 -4.321 4.237 1.00 0.00 O ATOM 804 CB SER A 47 -3.724 -6.672 2.699 1.00 0.00 C ATOM 805 OG SER A 47 -5.120 -6.959 2.716 1.00 0.00 O ATOM 0 H SER A 47 -1.449 -5.725 2.392 1.00 0.00 H new ATOM 0 HA SER A 47 -4.029 -4.731 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.269 -7.136 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.252 -7.115 3.576 1.00 0.00 H new ATOM 0 HG SER A 47 -5.254 -7.930 2.728 1.00 0.00 H new ATOM 811 N GLU A 48 -2.886 -4.243 4.832 1.00 0.00 N ATOM 812 CA GLU A 48 -3.146 -3.635 6.126 1.00 0.00 C ATOM 813 C GLU A 48 -3.290 -2.119 5.981 1.00 0.00 C ATOM 814 O GLU A 48 -4.222 -1.526 6.521 1.00 0.00 O ATOM 815 CB GLU A 48 -2.045 -3.988 7.128 1.00 0.00 C ATOM 816 CG GLU A 48 -2.559 -4.968 8.185 1.00 0.00 C ATOM 817 CD GLU A 48 -2.234 -6.412 7.796 1.00 0.00 C ATOM 818 OE1 GLU A 48 -1.213 -6.958 8.238 1.00 0.00 O ATOM 819 OE2 GLU A 48 -3.089 -6.969 7.006 1.00 0.00 O ATOM 0 H GLU A 48 -1.901 -4.419 4.634 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.084 -4.034 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.197 -4.427 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.685 -3.081 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.108 -4.737 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.637 -4.852 8.300 1.00 0.00 H new ATOM 827 N ILE A 49 -2.353 -1.535 5.248 1.00 0.00 N ATOM 828 CA ILE A 49 -2.364 -0.099 5.024 1.00 0.00 C ATOM 829 C ILE A 49 -3.547 0.264 4.124 1.00 0.00 C ATOM 830 O ILE A 49 -4.260 1.230 4.389 1.00 0.00 O ATOM 831 CB ILE A 49 -1.013 0.369 4.482 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.316 1.301 5.477 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.169 1.015 3.104 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.067 1.710 4.968 1.00 0.00 C ATOM 0 H ILE A 49 -1.581 -2.030 4.802 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.505 0.432 5.965 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.374 -0.505 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.926 2.190 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.220 0.803 6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.193 1.339 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.592 0.290 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.833 1.877 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.541 2.372 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.682 0.821 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.965 2.230 4.015 1.00 0.00 H new ATOM 846 N LEU A 50 -3.719 -0.531 3.078 1.00 0.00 N ATOM 847 CA LEU A 50 -4.803 -0.306 2.137 1.00 0.00 C ATOM 848 C LEU A 50 -6.117 -0.153 2.906 1.00 0.00 C ATOM 849 O LEU A 50 -7.000 0.596 2.491 1.00 0.00 O ATOM 850 CB LEU A 50 -4.834 -1.412 1.081 1.00 0.00 C ATOM 851 CG LEU A 50 -3.724 -1.367 0.029 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.792 -2.586 -0.893 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.763 -0.053 -0.754 1.00 0.00 C ATOM 0 H LEU A 50 -3.126 -1.332 2.861 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.644 0.622 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.786 -2.375 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.795 -1.371 0.568 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.764 -1.406 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.992 -2.529 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.677 -3.495 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.755 -2.603 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.964 -0.047 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.725 0.042 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.628 0.783 -0.068 1.00 0.00 H new ATOM 865 N GLU A 51 -6.204 -0.875 4.014 1.00 0.00 N ATOM 866 CA GLU A 51 -7.395 -0.829 4.845 1.00 0.00 C ATOM 867 C GLU A 51 -7.943 0.599 4.909 1.00 0.00 C ATOM 868 O GLU A 51 -9.154 0.800 4.982 1.00 0.00 O ATOM 869 CB GLU A 51 -7.107 -1.369 6.247 1.00 0.00 C ATOM 870 CG GLU A 51 -6.790 -2.865 6.203 1.00 0.00 C ATOM 871 CD GLU A 51 -7.823 -3.668 6.995 1.00 0.00 C ATOM 872 OE1 GLU A 51 -8.830 -4.116 6.425 1.00 0.00 O ATOM 873 OE2 GLU A 51 -7.552 -3.822 8.247 1.00 0.00 O ATOM 0 H GLU A 51 -5.469 -1.495 4.355 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.154 -1.469 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.267 -0.828 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.968 -1.195 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.774 -3.207 5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.795 -3.042 6.612 1.00 0.00 H new ATOM 881 N PHE A 52 -7.024 1.553 4.880 1.00 0.00 N ATOM 882 CA PHE A 52 -7.399 2.955 4.934 1.00 0.00 C ATOM 883 C PHE A 52 -7.839 3.459 3.558 1.00 0.00 C ATOM 884 O PHE A 52 -7.384 2.952 2.533 1.00 0.00 O ATOM 885 CB PHE A 52 -6.158 3.734 5.376 1.00 0.00 C ATOM 886 CG PHE A 52 -6.098 4.007 6.880 1.00 0.00 C ATOM 887 CD1 PHE A 52 -7.162 4.572 7.512 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.981 3.686 7.586 1.00 0.00 C ATOM 889 CE1 PHE A 52 -7.107 4.826 8.908 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.925 3.939 8.982 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.989 4.504 9.613 1.00 0.00 C ATOM 0 H PHE A 52 -6.020 1.382 4.820 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.232 3.090 5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.268 3.177 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.129 4.684 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.049 4.828 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.136 3.238 7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.952 5.274 9.410 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.038 3.683 9.542 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.946 4.697 10.675 1.00 0.00 H new ATOM 901 N GLN A 53 -8.719 4.449 3.578 1.00 0.00 N ATOM 902 CA GLN A 53 -9.225 5.027 2.345 1.00 0.00 C ATOM 903 C GLN A 53 -8.261 6.095 1.824 1.00 0.00 C ATOM 904 O GLN A 53 -7.275 6.421 2.483 1.00 0.00 O ATOM 905 CB GLN A 53 -10.627 5.604 2.545 1.00 0.00 C ATOM 906 CG GLN A 53 -11.421 4.779 3.560 1.00 0.00 C ATOM 907 CD GLN A 53 -12.850 4.535 3.071 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.180 4.734 1.914 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.677 4.096 4.016 1.00 0.00 N ATOM 0 H GLN A 53 -9.095 4.866 4.430 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.297 4.236 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.554 6.636 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.156 5.622 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.922 3.824 3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.444 5.299 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.335 3.951 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.653 3.905 3.791 1.00 0.00 H new ATOM 918 N ASP A 54 -8.580 6.611 0.646 1.00 0.00 N ATOM 919 CA ASP A 54 -7.755 7.635 0.029 1.00 0.00 C ATOM 920 C ASP A 54 -7.499 8.755 1.041 1.00 0.00 C ATOM 921 O ASP A 54 -6.355 9.006 1.417 1.00 0.00 O ATOM 922 CB ASP A 54 -8.454 8.247 -1.186 1.00 0.00 C ATOM 923 CG ASP A 54 -8.560 7.326 -2.403 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.639 6.096 -2.268 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.560 7.928 -3.544 1.00 0.00 O ATOM 0 H ASP A 54 -9.399 6.339 0.102 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.821 7.171 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.458 8.553 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.918 9.150 -1.478 1.00 0.00 H new ATOM 931 N GLN A 55 -8.582 9.397 1.452 1.00 0.00 N ATOM 932 CA GLN A 55 -8.489 10.483 2.412 1.00 0.00 C ATOM 933 C GLN A 55 -7.581 10.086 3.577 1.00 0.00 C ATOM 934 O GLN A 55 -6.559 10.727 3.819 1.00 0.00 O ATOM 935 CB GLN A 55 -9.875 10.893 2.913 1.00 0.00 C ATOM 936 CG GLN A 55 -9.930 12.393 3.208 1.00 0.00 C ATOM 937 CD GLN A 55 -11.351 12.829 3.572 1.00 0.00 C ATOM 938 OE1 GLN A 55 -12.330 12.176 3.249 1.00 0.00 O ATOM 939 NE2 GLN A 55 -11.410 13.965 4.260 1.00 0.00 N ATOM 0 H GLN A 55 -9.529 9.186 1.138 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.050 11.346 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.626 10.638 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.120 10.332 3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.252 12.631 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.586 12.951 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.552 14.462 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.313 14.339 4.550 1.00 0.00 H new ATOM 948 N GLU A 56 -7.986 9.030 4.268 1.00 0.00 N ATOM 949 CA GLU A 56 -7.221 8.539 5.401 1.00 0.00 C ATOM 950 C GLU A 56 -5.757 8.335 5.006 1.00 0.00 C ATOM 951 O GLU A 56 -4.852 8.773 5.714 1.00 0.00 O ATOM 952 CB GLU A 56 -7.826 7.246 5.952 1.00 0.00 C ATOM 953 CG GLU A 56 -8.918 7.547 6.981 1.00 0.00 C ATOM 954 CD GLU A 56 -10.058 6.531 6.883 1.00 0.00 C ATOM 955 OE1 GLU A 56 -10.046 5.515 7.594 1.00 0.00 O ATOM 956 OE2 GLU A 56 -10.980 6.827 6.031 1.00 0.00 O ATOM 0 H GLU A 56 -8.834 8.501 4.065 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.262 9.287 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.244 6.658 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.044 6.642 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.493 7.526 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.307 8.552 6.820 1.00 0.00 H new ATOM 964 N LEU A 57 -5.570 7.669 3.875 1.00 0.00 N ATOM 965 CA LEU A 57 -4.232 7.402 3.377 1.00 0.00 C ATOM 966 C LEU A 57 -3.488 8.725 3.190 1.00 0.00 C ATOM 967 O LEU A 57 -2.435 8.940 3.789 1.00 0.00 O ATOM 968 CB LEU A 57 -4.293 6.546 2.110 1.00 0.00 C ATOM 969 CG LEU A 57 -2.954 6.267 1.424 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.065 5.380 2.297 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.165 5.672 0.031 1.00 0.00 C ATOM 0 H LEU A 57 -6.323 7.307 3.290 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.665 6.818 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.755 5.592 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.950 7.039 1.394 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.433 7.216 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.120 5.197 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.873 5.879 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.567 4.430 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.198 5.483 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.716 4.735 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.732 6.373 -0.582 1.00 0.00 H new ATOM 983 N LEU A 58 -4.064 9.579 2.356 1.00 0.00 N ATOM 984 CA LEU A 58 -3.469 10.876 2.083 1.00 0.00 C ATOM 985 C LEU A 58 -3.197 11.596 3.404 1.00 0.00 C ATOM 986 O LEU A 58 -2.052 11.925 3.712 1.00 0.00 O ATOM 987 CB LEU A 58 -4.345 11.674 1.116 1.00 0.00 C ATOM 988 CG LEU A 58 -3.602 12.515 0.076 1.00 0.00 C ATOM 989 CD1 LEU A 58 -2.877 11.624 -0.934 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.549 13.503 -0.608 1.00 0.00 C ATOM 0 H LEU A 58 -4.937 9.398 1.860 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.508 10.757 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.999 10.978 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.986 12.336 1.699 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.842 13.102 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.357 12.247 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.155 10.996 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.602 10.993 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.996 14.088 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.348 12.955 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.979 14.171 0.138 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.268 11.820 4.151 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.160 12.496 5.432 1.00 0.00 C ATOM 1004 C ALA A 59 -3.043 11.848 6.253 1.00 0.00 C ATOM 1005 O ALA A 59 -2.241 12.542 6.875 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.511 12.452 6.149 1.00 0.00 C ATOM 0 H ALA A 59 -5.216 11.545 3.893 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.900 13.545 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.429 12.959 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.264 12.951 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.804 11.414 6.310 1.00 0.00 H new ATOM 1012 N LEU A 60 -3.026 10.523 6.227 1.00 0.00 N ATOM 1013 CA LEU A 60 -2.021 9.773 6.961 1.00 0.00 C ATOM 1014 C LEU A 60 -0.634 10.322 6.624 1.00 0.00 C ATOM 1015 O LEU A 60 0.063 10.836 7.497 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.171 8.274 6.695 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.826 7.456 7.810 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.083 6.018 7.357 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.993 7.513 9.092 1.00 0.00 C ATOM 0 H LEU A 60 -3.692 9.950 5.709 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.161 9.898 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.756 8.144 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.182 7.859 6.500 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.796 7.900 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.549 5.459 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.746 6.022 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.138 5.547 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.480 6.924 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.000 7.108 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.905 8.548 9.423 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.275 10.195 5.355 1.00 0.00 N ATOM 1032 CA ILE A 61 1.017 10.672 4.891 1.00 0.00 C ATOM 1033 C ILE A 61 1.218 12.116 5.354 1.00 0.00 C ATOM 1034 O ILE A 61 2.270 12.458 5.891 1.00 0.00 O ATOM 1035 CB ILE A 61 1.144 10.488 3.377 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.240 9.005 3.011 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.322 11.292 2.824 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.893 8.781 1.538 1.00 0.00 C ATOM 0 H ILE A 61 -0.856 9.769 4.633 1.00 0.00 H new ATOM 0 HA ILE A 61 1.821 10.081 5.329 1.00 0.00 H new ATOM 0 HB ILE A 61 0.240 10.877 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.248 8.642 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.563 8.427 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.390 11.144 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.171 12.351 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.245 10.956 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.969 7.719 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.124 9.123 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.587 9.341 0.911 1.00 0.00 H new ATOM 1050 N ASN A 62 0.193 12.925 5.128 1.00 0.00 N ATOM 1051 CA ASN A 62 0.244 14.324 5.516 1.00 0.00 C ATOM 1052 C ASN A 62 0.538 14.424 7.014 1.00 0.00 C ATOM 1053 O ASN A 62 1.224 15.345 7.455 1.00 0.00 O ATOM 1054 CB ASN A 62 -1.092 15.019 5.249 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.204 15.450 3.785 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -0.570 16.392 3.338 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -2.043 14.710 3.066 1.00 0.00 N ATOM 0 H ASN A 62 -0.678 12.638 4.681 1.00 0.00 H new ATOM 0 HA ASN A 62 1.025 14.807 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.912 14.345 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.188 15.890 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.187 14.917 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.542 13.935 3.503 1.00 0.00 H new ATOM 1064 N GLY A 63 0.005 13.463 7.754 1.00 0.00 N ATOM 1065 CA GLY A 63 0.202 13.431 9.193 1.00 0.00 C ATOM 1066 C GLY A 63 -1.122 13.637 9.932 1.00 0.00 C ATOM 1067 O GLY A 63 -1.130 13.998 11.108 1.00 0.00 O ATOM 0 H GLY A 63 -0.563 12.701 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.640 12.476 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.910 14.207 9.484 1.00 0.00 H new ATOM 1071 N HIS A 64 -2.208 13.400 9.212 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.534 13.555 9.785 1.00 0.00 C ATOM 1073 C HIS A 64 -3.872 12.330 10.636 1.00 0.00 C ATOM 1074 O HIS A 64 -3.674 12.340 11.850 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.570 13.821 8.691 1.00 0.00 C ATOM 1076 CG HIS A 64 -5.140 15.220 8.712 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -4.351 16.352 8.609 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -6.428 15.656 8.824 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.139 17.416 8.659 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -6.425 16.983 8.792 1.00 0.00 N ATOM 0 H HIS A 64 -2.197 13.102 8.237 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.551 14.425 10.441 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.111 13.641 7.719 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.386 13.106 8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.301 15.028 8.922 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.819 18.446 8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.249 17.580 8.856 1.00 0.00 H new ATOM 1088 N SER A 65 -4.377 11.305 9.966 1.00 0.00 N ATOM 1089 CA SER A 65 -4.745 10.074 10.647 1.00 0.00 C ATOM 1090 C SER A 65 -3.499 9.411 11.238 1.00 0.00 C ATOM 1091 O SER A 65 -2.376 9.753 10.871 1.00 0.00 O ATOM 1092 CB SER A 65 -5.458 9.111 9.696 1.00 0.00 C ATOM 1093 OG SER A 65 -6.872 9.291 9.715 1.00 0.00 O ATOM 0 H SER A 65 -4.540 11.301 8.959 1.00 0.00 H new ATOM 0 HA SER A 65 -5.434 10.322 11.454 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.087 9.262 8.682 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.219 8.084 9.974 1.00 0.00 H new ATOM 0 HG SER A 65 -7.243 9.060 8.838 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.740 8.474 12.143 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.652 7.760 12.789 1.00 0.00 C ATOM 1101 C GLU A 66 -2.724 6.268 12.455 1.00 0.00 C ATOM 1102 O GLU A 66 -3.734 5.792 11.940 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.670 7.984 14.302 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.883 9.240 14.680 1.00 0.00 C ATOM 1105 CD GLU A 66 -2.780 10.480 14.646 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -4.009 10.359 14.755 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -2.156 11.600 14.502 1.00 0.00 O ATOM 0 H GLU A 66 -4.673 8.193 12.444 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.709 8.153 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.700 8.078 14.647 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.243 7.117 14.807 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.458 9.121 15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.048 9.372 13.991 1.00 0.00 H new ATOM 1115 N THR A 67 -1.639 5.573 12.761 1.00 0.00 N ATOM 1116 CA THR A 67 -1.566 4.146 12.499 1.00 0.00 C ATOM 1117 C THR A 67 -1.124 3.395 13.757 1.00 0.00 C ATOM 1118 O THR A 67 -0.040 3.642 14.283 1.00 0.00 O ATOM 1119 CB THR A 67 -0.635 3.930 11.305 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.137 2.751 10.681 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.785 3.552 11.729 1.00 0.00 C ATOM 0 H THR A 67 -0.803 5.972 13.188 1.00 0.00 H new ATOM 0 HA THR A 67 -2.545 3.741 12.243 1.00 0.00 H new ATOM 0 HB THR A 67 -0.603 4.837 10.702 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.591 2.539 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.404 3.410 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.206 4.349 12.342 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.759 2.627 12.305 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.986 2.493 14.203 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.698 1.704 15.389 1.00 0.00 C ATOM 1131 C ASP A 68 -1.150 0.339 14.967 1.00 0.00 C ATOM 1132 O ASP A 68 -1.422 -0.670 15.617 1.00 0.00 O ATOM 1133 CB ASP A 68 -2.963 1.471 16.216 1.00 0.00 C ATOM 1134 CG ASP A 68 -2.747 1.427 17.730 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -1.673 1.035 18.211 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.751 1.822 18.436 1.00 0.00 O ATOM 0 H ASP A 68 -2.884 2.291 13.764 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.971 2.251 15.990 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.678 2.262 15.989 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.417 0.531 15.901 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.390 0.351 13.883 1.00 0.00 N ATOM 1143 CA LYS A 69 0.198 -0.874 13.368 1.00 0.00 C ATOM 1144 C LYS A 69 1.656 -0.614 12.985 1.00 0.00 C ATOM 1145 O LYS A 69 1.935 0.195 12.100 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.648 -1.434 12.222 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.074 -1.732 12.688 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.379 -3.229 12.598 1.00 0.00 C ATOM 1149 CE LYS A 69 -2.429 -3.863 13.989 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.694 -4.610 14.173 1.00 0.00 N ATOM 0 H LYS A 69 -0.167 1.189 13.347 1.00 0.00 H new ATOM 0 HA LYS A 69 0.203 -1.646 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.672 -0.719 11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.189 -2.345 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.203 -1.392 13.716 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.784 -1.175 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.332 -3.380 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.616 -3.724 11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.581 -4.535 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.343 -3.089 14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.712 -5.034 15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.499 -3.960 14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.761 -5.361 13.457 1.00 0.00 H new ATOM 1163 N GLY A 70 2.549 -1.314 13.670 1.00 0.00 N ATOM 1164 CA GLY A 70 3.971 -1.168 13.413 1.00 0.00 C ATOM 1165 C GLY A 70 4.347 -1.762 12.053 1.00 0.00 C ATOM 1166 O GLY A 70 5.433 -1.504 11.538 1.00 0.00 O ATOM 0 H GLY A 70 2.315 -1.984 14.403 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.243 -0.113 13.440 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.539 -1.664 14.200 1.00 0.00 H new ATOM 1170 N HIS A 71 3.426 -2.545 11.511 1.00 0.00 N ATOM 1171 CA HIS A 71 3.646 -3.178 10.222 1.00 0.00 C ATOM 1172 C HIS A 71 3.297 -2.195 9.102 1.00 0.00 C ATOM 1173 O HIS A 71 3.354 -2.545 7.924 1.00 0.00 O ATOM 1174 CB HIS A 71 2.869 -4.492 10.121 1.00 0.00 C ATOM 1175 CG HIS A 71 3.125 -5.445 11.264 1.00 0.00 C ATOM 1176 ND1 HIS A 71 2.985 -5.280 12.611 1.00 0.00 N flip ATOM 1177 CD2 HIS A 71 3.581 -6.738 11.074 1.00 0.00 C flip ATOM 1178 CE1 HIS A 71 3.335 -6.412 13.211 1.00 0.00 C flip ATOM 1179 NE2 HIS A 71 3.706 -7.316 12.260 1.00 0.00 N flip ATOM 0 H HIS A 71 2.525 -2.755 11.941 1.00 0.00 H new ATOM 0 HA HIS A 71 4.699 -3.438 10.116 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.803 -4.270 10.078 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.129 -4.985 9.185 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.798 -7.198 10.121 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.327 -6.588 14.277 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.024 -8.270 12.431 1.00 0.00 H new ATOM 1187 N LEU A 72 2.942 -0.985 9.509 1.00 0.00 N ATOM 1188 CA LEU A 72 2.583 0.050 8.555 1.00 0.00 C ATOM 1189 C LEU A 72 3.610 1.182 8.627 1.00 0.00 C ATOM 1190 O LEU A 72 3.989 1.748 7.602 1.00 0.00 O ATOM 1191 CB LEU A 72 1.142 0.512 8.782 1.00 0.00 C ATOM 1192 CG LEU A 72 0.082 -0.591 8.811 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.282 -0.028 9.215 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.024 -1.332 7.474 1.00 0.00 C ATOM 0 H LEU A 72 2.895 -0.698 10.487 1.00 0.00 H new ATOM 0 HA LEU A 72 2.611 -0.343 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.100 1.054 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.880 1.220 7.996 1.00 0.00 H new ATOM 0 HG LEU A 72 0.367 -1.320 9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.018 -0.832 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.213 0.417 10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.589 0.733 8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.737 -2.110 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.225 -0.629 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.993 -1.785 7.267 1.00 0.00 H new ATOM 1206 N ILE A 73 4.032 1.478 9.848 1.00 0.00 N ATOM 1207 CA ILE A 73 5.008 2.533 10.067 1.00 0.00 C ATOM 1208 C ILE A 73 6.045 2.503 8.943 1.00 0.00 C ATOM 1209 O ILE A 73 6.333 3.530 8.331 1.00 0.00 O ATOM 1210 CB ILE A 73 5.614 2.419 11.467 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.822 3.252 12.477 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.098 2.792 11.454 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.695 3.639 13.672 1.00 0.00 C ATOM 0 H ILE A 73 3.716 1.006 10.695 1.00 0.00 H new ATOM 0 HA ILE A 73 4.528 3.511 10.032 1.00 0.00 H new ATOM 0 HB ILE A 73 5.546 1.379 11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.442 4.152 11.993 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.957 2.686 12.822 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.504 2.703 12.461 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.636 2.121 10.785 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.212 3.819 11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.108 4.230 14.375 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.054 2.737 14.168 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.546 4.226 13.326 1.00 0.00 H new ATOM 1225 N PRO A 74 6.593 1.282 8.699 1.00 0.00 N ATOM 1226 CA PRO A 74 7.593 1.105 7.659 1.00 0.00 C ATOM 1227 C PRO A 74 6.951 1.133 6.271 1.00 0.00 C ATOM 1228 O PRO A 74 7.409 1.854 5.385 1.00 0.00 O ATOM 1229 CB PRO A 74 8.261 -0.222 7.978 1.00 0.00 C ATOM 1230 CG PRO A 74 7.306 -0.958 8.904 1.00 0.00 C ATOM 1231 CD PRO A 74 6.277 0.043 9.403 1.00 0.00 C ATOM 0 HA PRO A 74 8.327 1.911 7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.444 -0.796 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.228 -0.067 8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.817 -1.777 8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.849 -1.397 9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.262 -0.289 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.343 0.173 10.483 1.00 0.00 H new ATOM 1239 N MET A 75 5.900 0.339 6.124 1.00 0.00 N ATOM 1240 CA MET A 75 5.191 0.264 4.858 1.00 0.00 C ATOM 1241 C MET A 75 4.761 1.654 4.387 1.00 0.00 C ATOM 1242 O MET A 75 4.693 1.914 3.186 1.00 0.00 O ATOM 1243 CB MET A 75 3.956 -0.626 5.017 1.00 0.00 C ATOM 1244 CG MET A 75 3.913 -1.703 3.930 1.00 0.00 C ATOM 1245 SD MET A 75 5.416 -2.665 3.963 1.00 0.00 S ATOM 1246 CE MET A 75 5.646 -2.819 5.727 1.00 0.00 C ATOM 0 H MET A 75 5.523 -0.258 6.860 1.00 0.00 H new ATOM 0 HA MET A 75 5.862 -0.160 4.111 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.966 -1.097 6.000 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.054 -0.016 4.965 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.052 -2.353 4.085 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.790 -1.239 2.951 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.157 -3.757 5.947 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.247 -1.985 6.090 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.675 -2.810 6.223 1.00 0.00 H new ATOM 1256 N LEU A 76 4.481 2.513 5.357 1.00 0.00 N ATOM 1257 CA LEU A 76 4.059 3.870 5.056 1.00 0.00 C ATOM 1258 C LEU A 76 5.213 4.622 4.390 1.00 0.00 C ATOM 1259 O LEU A 76 5.015 5.308 3.388 1.00 0.00 O ATOM 1260 CB LEU A 76 3.524 4.556 6.315 1.00 0.00 C ATOM 1261 CG LEU A 76 2.004 4.702 6.404 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.597 5.435 7.684 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.444 5.381 5.152 1.00 0.00 C ATOM 0 H LEU A 76 4.538 2.295 6.352 1.00 0.00 H new ATOM 0 HA LEU A 76 3.231 3.863 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.867 3.995 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.969 5.549 6.381 1.00 0.00 H new ATOM 0 HG LEU A 76 1.568 3.704 6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.511 5.525 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.945 4.874 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.044 6.429 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.361 5.472 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.885 6.373 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.687 4.782 4.274 1.00 0.00 H new ATOM 1275 N GLU A 77 6.393 4.469 4.973 1.00 0.00 N ATOM 1276 CA GLU A 77 7.578 5.125 4.448 1.00 0.00 C ATOM 1277 C GLU A 77 7.793 4.739 2.983 1.00 0.00 C ATOM 1278 O GLU A 77 7.833 5.604 2.109 1.00 0.00 O ATOM 1279 CB GLU A 77 8.810 4.788 5.290 1.00 0.00 C ATOM 1280 CG GLU A 77 8.937 5.739 6.482 1.00 0.00 C ATOM 1281 CD GLU A 77 7.714 5.639 7.396 1.00 0.00 C ATOM 1282 OE1 GLU A 77 6.590 5.932 6.962 1.00 0.00 O ATOM 1283 OE2 GLU A 77 7.963 5.240 8.597 1.00 0.00 O ATOM 0 H GLU A 77 6.554 3.900 5.804 1.00 0.00 H new ATOM 0 HA GLU A 77 7.426 6.203 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.741 3.760 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.706 4.852 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.838 5.501 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.046 6.763 6.125 1.00 0.00 H new ATOM 1291 N LYS A 78 7.927 3.440 2.760 1.00 0.00 N ATOM 1292 CA LYS A 78 8.137 2.930 1.416 1.00 0.00 C ATOM 1293 C LYS A 78 6.956 3.333 0.531 1.00 0.00 C ATOM 1294 O LYS A 78 7.125 4.071 -0.438 1.00 0.00 O ATOM 1295 CB LYS A 78 8.394 1.422 1.449 1.00 0.00 C ATOM 1296 CG LYS A 78 7.416 0.720 2.394 1.00 0.00 C ATOM 1297 CD LYS A 78 6.554 -0.293 1.638 1.00 0.00 C ATOM 1298 CE LYS A 78 7.320 -1.595 1.399 1.00 0.00 C ATOM 1299 NZ LYS A 78 7.933 -1.595 0.052 1.00 0.00 N ATOM 0 H LYS A 78 7.894 2.726 3.487 1.00 0.00 H new ATOM 0 HA LYS A 78 9.031 3.373 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.294 1.010 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.418 1.231 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.969 0.213 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.776 1.459 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.647 -0.500 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.242 0.130 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.094 -1.713 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.645 -2.445 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.149 -2.572 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.270 -1.176 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.811 -1.037 0.070 1.00 0.00 H new ATOM 1312 N ILE A 79 5.786 2.830 0.896 1.00 0.00 N ATOM 1313 CA ILE A 79 4.576 3.129 0.148 1.00 0.00 C ATOM 1314 C ILE A 79 4.511 4.632 -0.128 1.00 0.00 C ATOM 1315 O ILE A 79 4.217 5.049 -1.248 1.00 0.00 O ATOM 1316 CB ILE A 79 3.347 2.584 0.877 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.423 1.062 1.018 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.057 3.032 0.187 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.476 0.565 2.112 1.00 0.00 C ATOM 0 H ILE A 79 5.650 2.217 1.700 1.00 0.00 H new ATOM 0 HA ILE A 79 4.592 2.627 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 79 3.335 3.000 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.166 0.592 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.445 0.766 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.198 2.631 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.006 4.121 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.046 2.664 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.549 -0.520 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.751 1.018 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.452 0.842 1.860 1.00 0.00 H new ATOM 1331 N ARG A 80 4.790 5.406 0.911 1.00 0.00 N ATOM 1332 CA ARG A 80 4.767 6.854 0.794 1.00 0.00 C ATOM 1333 C ARG A 80 5.703 7.311 -0.327 1.00 0.00 C ATOM 1334 O ARG A 80 5.422 8.292 -1.013 1.00 0.00 O ATOM 1335 CB ARG A 80 5.189 7.519 2.105 1.00 0.00 C ATOM 1336 CG ARG A 80 5.390 9.024 1.917 1.00 0.00 C ATOM 1337 CD ARG A 80 6.864 9.404 2.065 1.00 0.00 C ATOM 1338 NE ARG A 80 7.165 9.724 3.478 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.165 10.541 3.873 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.970 11.128 2.962 1.00 0.00 N ATOM 1341 NH2 ARG A 80 8.343 10.757 5.163 1.00 0.00 N ATOM 0 H ARG A 80 5.033 5.057 1.838 1.00 0.00 H new ATOM 0 HA ARG A 80 3.745 7.152 0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.430 7.342 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.113 7.067 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.031 9.322 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.795 9.568 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.496 8.582 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.092 10.262 1.433 1.00 0.00 H new ATOM 0 HE ARG A 80 6.580 9.301 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.825 10.956 1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.723 11.744 3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.730 10.310 5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.094 11.371 5.478 1.00 0.00 H new ATOM 1354 N ARG A 81 6.796 6.578 -0.477 1.00 0.00 N ATOM 1355 CA ARG A 81 7.775 6.896 -1.503 1.00 0.00 C ATOM 1356 C ARG A 81 7.121 6.874 -2.886 1.00 0.00 C ATOM 1357 O ARG A 81 6.953 7.918 -3.513 1.00 0.00 O ATOM 1358 CB ARG A 81 8.939 5.902 -1.480 1.00 0.00 C ATOM 1359 CG ARG A 81 10.280 6.626 -1.617 1.00 0.00 C ATOM 1360 CD ARG A 81 11.129 6.002 -2.726 1.00 0.00 C ATOM 1361 NE ARG A 81 12.452 6.663 -2.784 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.447 6.442 -1.898 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.276 5.575 -0.878 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.589 7.088 -2.045 1.00 0.00 N ATOM 0 H ARG A 81 7.026 5.765 0.094 1.00 0.00 H new ATOM 0 HA ARG A 81 8.160 7.894 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.921 5.336 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.825 5.184 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.108 7.680 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.820 6.581 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.254 4.935 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.621 6.103 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 81 12.623 7.326 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.390 5.081 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.033 5.414 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.709 7.742 -2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.351 6.933 -1.385 1.00 0.00 H new ATOM 1377 N ALA A 82 6.770 5.672 -3.320 1.00 0.00 N ATOM 1378 CA ALA A 82 6.138 5.501 -4.617 1.00 0.00 C ATOM 1379 C ALA A 82 4.897 6.391 -4.697 1.00 0.00 C ATOM 1380 O ALA A 82 4.559 6.898 -5.766 1.00 0.00 O ATOM 1381 CB ALA A 82 5.810 4.022 -4.834 1.00 0.00 C ATOM 0 H ALA A 82 6.911 4.808 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 82 6.814 5.806 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.336 3.893 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.729 3.436 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.132 3.681 -4.052 1.00 0.00 H new