USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=7 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 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 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -43:sc= 0.00719 USER MOD Single : A 31 MET CE :methyl -120:sc= -0.769 (180deg=-5.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.27) USER MOD Single : A 39 SER OG : rot -20:sc= 0.231 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= -3.82! C(o=-3.8!,f=-5.6!) USER MOD Single : A 55 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= -4.51! C(o=-4.5!,f=-8.4!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 160:sc= -0.249 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.053) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -4.511 -13.547 -1.499 1.00 0.00 N ATOM 72 CA ASP A 5 -4.980 -14.613 -2.368 1.00 0.00 C ATOM 73 C ASP A 5 -5.589 -14.004 -3.632 1.00 0.00 C ATOM 74 O ASP A 5 -5.578 -12.786 -3.806 1.00 0.00 O ATOM 75 CB ASP A 5 -6.060 -15.450 -1.679 1.00 0.00 C ATOM 76 CG ASP A 5 -5.595 -16.206 -0.432 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.601 -16.946 -0.468 1.00 0.00 O ATOM 78 OD2 ASP A 5 -6.310 -16.008 0.623 1.00 0.00 O ATOM 0 HA ASP A 5 -4.129 -15.250 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.885 -14.794 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.453 -16.170 -2.397 1.00 0.00 H new ATOM 84 N ASP A 6 -6.105 -14.879 -4.483 1.00 0.00 N ATOM 85 CA ASP A 6 -6.717 -14.443 -5.726 1.00 0.00 C ATOM 86 C ASP A 6 -7.677 -13.286 -5.439 1.00 0.00 C ATOM 87 O ASP A 6 -7.817 -12.374 -6.253 1.00 0.00 O ATOM 88 CB ASP A 6 -7.520 -15.574 -6.371 1.00 0.00 C ATOM 89 CG ASP A 6 -6.686 -16.612 -7.124 1.00 0.00 C ATOM 90 OD1 ASP A 6 -6.005 -16.291 -8.110 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.754 -17.811 -6.654 1.00 0.00 O ATOM 0 H ASP A 6 -6.112 -15.888 -4.336 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.921 -14.134 -6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.091 -16.083 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.241 -15.139 -7.063 1.00 0.00 H new ATOM 97 N ILE A 7 -8.313 -13.361 -4.279 1.00 0.00 N ATOM 98 CA ILE A 7 -9.255 -12.332 -3.874 1.00 0.00 C ATOM 99 C ILE A 7 -8.484 -11.083 -3.440 1.00 0.00 C ATOM 100 O ILE A 7 -8.651 -10.013 -4.023 1.00 0.00 O ATOM 101 CB ILE A 7 -10.209 -12.869 -2.805 1.00 0.00 C ATOM 102 CG1 ILE A 7 -11.008 -14.062 -3.332 1.00 0.00 C ATOM 103 CG2 ILE A 7 -11.118 -11.759 -2.274 1.00 0.00 C ATOM 104 CD1 ILE A 7 -12.181 -14.388 -2.406 1.00 0.00 C ATOM 0 H ILE A 7 -8.194 -14.119 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.886 -12.042 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.614 -13.227 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.380 -13.842 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.356 -14.931 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.786 -12.167 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.509 -10.969 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.708 -11.348 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.733 -15.240 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.804 -14.632 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.844 -13.525 -2.341 1.00 0.00 H new ATOM 116 N ALA A 8 -7.657 -11.262 -2.421 1.00 0.00 N ATOM 117 CA ALA A 8 -6.860 -10.164 -1.902 1.00 0.00 C ATOM 118 C ALA A 8 -6.169 -9.447 -3.064 1.00 0.00 C ATOM 119 O ALA A 8 -5.985 -8.231 -3.027 1.00 0.00 O ATOM 120 CB ALA A 8 -5.864 -10.698 -0.871 1.00 0.00 C ATOM 0 H ALA A 8 -7.522 -12.152 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.494 -9.436 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.266 -9.874 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.406 -11.171 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.209 -11.430 -1.343 1.00 0.00 H new ATOM 126 N LYS A 9 -5.806 -10.231 -4.068 1.00 0.00 N ATOM 127 CA LYS A 9 -5.139 -9.687 -5.239 1.00 0.00 C ATOM 128 C LYS A 9 -6.062 -8.675 -5.922 1.00 0.00 C ATOM 129 O LYS A 9 -5.722 -7.498 -6.035 1.00 0.00 O ATOM 130 CB LYS A 9 -4.672 -10.814 -6.162 1.00 0.00 C ATOM 131 CG LYS A 9 -4.738 -10.384 -7.629 1.00 0.00 C ATOM 132 CD LYS A 9 -3.663 -11.092 -8.456 1.00 0.00 C ATOM 133 CE LYS A 9 -2.279 -10.906 -7.832 1.00 0.00 C ATOM 134 NZ LYS A 9 -1.281 -10.576 -8.873 1.00 0.00 N ATOM 0 H LYS A 9 -5.961 -11.239 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.236 -9.150 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.651 -11.097 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.295 -11.696 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.723 -10.613 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.606 -9.304 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.894 -12.155 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.663 -10.698 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.313 -10.111 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.983 -11.817 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.347 -10.453 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.237 -11.348 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.557 -9.695 -9.351 1.00 0.00 H new ATOM 147 N ARG A 10 -7.210 -9.171 -6.358 1.00 0.00 N ATOM 148 CA ARG A 10 -8.184 -8.325 -7.027 1.00 0.00 C ATOM 149 C ARG A 10 -8.727 -7.272 -6.058 1.00 0.00 C ATOM 150 O ARG A 10 -9.161 -6.201 -6.479 1.00 0.00 O ATOM 151 CB ARG A 10 -9.349 -9.152 -7.574 1.00 0.00 C ATOM 152 CG ARG A 10 -10.004 -9.978 -6.465 1.00 0.00 C ATOM 153 CD ARG A 10 -11.368 -10.509 -6.909 1.00 0.00 C ATOM 154 NE ARG A 10 -12.448 -9.688 -6.317 1.00 0.00 N ATOM 155 CZ ARG A 10 -13.746 -9.770 -6.679 1.00 0.00 C ATOM 156 NH1 ARG A 10 -14.137 -10.637 -7.637 1.00 0.00 N ATOM 157 NH2 ARG A 10 -14.627 -8.988 -6.083 1.00 0.00 N ATOM 0 H ARG A 10 -7.488 -10.148 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.680 -7.833 -7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.089 -8.491 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.991 -9.814 -8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.355 -10.812 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.122 -9.365 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.439 -10.489 -7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.480 -11.549 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.196 -9.018 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.450 -11.237 -8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.120 -10.692 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.323 -8.335 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.612 -9.037 -6.344 1.00 0.00 H new ATOM 170 N LYS A 11 -8.684 -7.614 -4.778 1.00 0.00 N ATOM 171 CA LYS A 11 -9.166 -6.711 -3.746 1.00 0.00 C ATOM 172 C LYS A 11 -8.150 -5.586 -3.544 1.00 0.00 C ATOM 173 O LYS A 11 -8.527 -4.428 -3.372 1.00 0.00 O ATOM 174 CB LYS A 11 -9.490 -7.485 -2.467 1.00 0.00 C ATOM 175 CG LYS A 11 -10.974 -7.851 -2.408 1.00 0.00 C ATOM 176 CD LYS A 11 -11.834 -6.615 -2.136 1.00 0.00 C ATOM 177 CE LYS A 11 -13.321 -6.936 -2.292 1.00 0.00 C ATOM 178 NZ LYS A 11 -14.006 -6.871 -0.981 1.00 0.00 N ATOM 0 H LYS A 11 -8.323 -8.503 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.101 -6.244 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.886 -8.392 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.225 -6.884 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.277 -8.309 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.139 -8.592 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.641 -6.248 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.557 -5.816 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.781 -6.231 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.441 -7.930 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.015 -7.092 -1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.578 -7.561 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.907 -5.915 -0.585 1.00 0.00 H new ATOM 191 N ILE A 12 -6.881 -5.965 -3.572 1.00 0.00 N ATOM 192 CA ILE A 12 -5.808 -5.002 -3.394 1.00 0.00 C ATOM 193 C ILE A 12 -6.125 -3.737 -4.194 1.00 0.00 C ATOM 194 O ILE A 12 -6.059 -2.630 -3.663 1.00 0.00 O ATOM 195 CB ILE A 12 -4.459 -5.632 -3.748 1.00 0.00 C ATOM 196 CG1 ILE A 12 -3.410 -5.319 -2.679 1.00 0.00 C ATOM 197 CG2 ILE A 12 -4.002 -5.200 -5.143 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.779 -3.945 -2.916 1.00 0.00 C ATOM 0 H ILE A 12 -6.572 -6.926 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.731 -4.706 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.583 -6.715 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.872 -5.346 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.635 -6.086 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.041 -5.661 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.739 -5.515 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.900 -4.115 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.037 -3.747 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.297 -3.930 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.553 -3.178 -2.881 1.00 0.00 H new ATOM 210 N ARG A 13 -6.463 -3.945 -5.458 1.00 0.00 N ATOM 211 CA ARG A 13 -6.791 -2.835 -6.336 1.00 0.00 C ATOM 212 C ARG A 13 -8.188 -2.299 -6.016 1.00 0.00 C ATOM 213 O ARG A 13 -8.387 -1.088 -5.923 1.00 0.00 O ATOM 214 CB ARG A 13 -6.741 -3.261 -7.805 1.00 0.00 C ATOM 215 CG ARG A 13 -5.513 -2.674 -8.504 1.00 0.00 C ATOM 216 CD ARG A 13 -5.541 -2.974 -10.004 1.00 0.00 C ATOM 217 NE ARG A 13 -4.700 -1.996 -10.731 1.00 0.00 N ATOM 218 CZ ARG A 13 -4.528 -1.994 -12.070 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.139 -2.919 -12.841 1.00 0.00 N ATOM 220 NH2 ARG A 13 -3.755 -1.073 -12.614 1.00 0.00 N ATOM 0 H ARG A 13 -6.517 -4.865 -5.895 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.051 -2.052 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.717 -4.349 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.646 -2.931 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.480 -1.596 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.606 -3.089 -8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.179 -3.985 -10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.566 -2.930 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.221 -1.279 -10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.736 -3.626 -12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.004 -2.910 -13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.298 -0.377 -12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.614 -1.057 -13.624 1.00 0.00 H new ATOM 233 N PHE A 14 -9.121 -3.226 -5.855 1.00 0.00 N ATOM 234 CA PHE A 14 -10.493 -2.862 -5.547 1.00 0.00 C ATOM 235 C PHE A 14 -10.571 -2.074 -4.239 1.00 0.00 C ATOM 236 O PHE A 14 -11.574 -1.417 -3.964 1.00 0.00 O ATOM 237 CB PHE A 14 -11.277 -4.167 -5.390 1.00 0.00 C ATOM 238 CG PHE A 14 -12.784 -4.018 -5.611 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.285 -3.976 -6.874 1.00 0.00 C ATOM 240 CD2 PHE A 14 -13.622 -3.928 -4.544 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.683 -3.838 -7.080 1.00 0.00 C ATOM 242 CE2 PHE A 14 -15.020 -3.790 -4.749 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.521 -3.748 -6.012 1.00 0.00 C ATOM 0 H PHE A 14 -8.953 -4.229 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.899 -2.236 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.887 -4.900 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.104 -4.565 -4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.619 -4.048 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.224 -3.961 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.081 -3.805 -8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.686 -3.718 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.585 -3.643 -6.168 1.00 0.00 H new ATOM 253 N GLN A 15 -9.498 -2.164 -3.466 1.00 0.00 N ATOM 254 CA GLN A 15 -9.432 -1.466 -2.193 1.00 0.00 C ATOM 255 C GLN A 15 -8.944 -0.031 -2.399 1.00 0.00 C ATOM 256 O GLN A 15 -9.640 0.921 -2.051 1.00 0.00 O ATOM 257 CB GLN A 15 -8.535 -2.214 -1.205 1.00 0.00 C ATOM 258 CG GLN A 15 -9.369 -2.930 -0.140 1.00 0.00 C ATOM 259 CD GLN A 15 -9.167 -2.292 1.235 1.00 0.00 C ATOM 260 OE1 GLN A 15 -9.724 -1.254 1.554 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.342 -2.968 2.030 1.00 0.00 N ATOM 0 H GLN A 15 -8.668 -2.710 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.435 -1.430 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.923 -2.939 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.852 -1.513 -0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.424 -2.890 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.089 -3.983 -0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.909 -3.831 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.143 -2.624 2.969 1.00 0.00 H new ATOM 270 N THR A 16 -7.750 0.079 -2.964 1.00 0.00 N ATOM 271 CA THR A 16 -7.161 1.383 -3.220 1.00 0.00 C ATOM 272 C THR A 16 -8.202 2.330 -3.820 1.00 0.00 C ATOM 273 O THR A 16 -8.455 3.404 -3.277 1.00 0.00 O ATOM 274 CB THR A 16 -5.937 1.180 -4.114 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.452 0.511 -5.262 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.936 0.186 -3.521 1.00 0.00 C ATOM 0 H THR A 16 -7.175 -0.713 -3.251 1.00 0.00 H new ATOM 0 HA THR A 16 -6.832 1.857 -2.296 1.00 0.00 H new ATOM 0 HB THR A 16 -5.444 2.138 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.079 -0.188 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.087 0.079 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.588 0.552 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.419 -0.782 -3.389 1.00 0.00 H new ATOM 284 N ARG A 17 -8.778 1.897 -4.932 1.00 0.00 N ATOM 285 CA ARG A 17 -9.786 2.693 -5.612 1.00 0.00 C ATOM 286 C ARG A 17 -10.848 3.165 -4.618 1.00 0.00 C ATOM 287 O ARG A 17 -11.351 2.376 -3.820 1.00 0.00 O ATOM 288 CB ARG A 17 -10.460 1.891 -6.727 1.00 0.00 C ATOM 289 CG ARG A 17 -11.600 2.690 -7.363 1.00 0.00 C ATOM 290 CD ARG A 17 -11.592 2.538 -8.886 1.00 0.00 C ATOM 291 NE ARG A 17 -12.961 2.259 -9.374 1.00 0.00 N ATOM 292 CZ ARG A 17 -13.659 1.143 -9.073 1.00 0.00 C ATOM 293 NH1 ARG A 17 -13.120 0.191 -8.282 1.00 0.00 N ATOM 294 NH2 ARG A 17 -14.875 0.997 -9.565 1.00 0.00 N ATOM 0 H ARG A 17 -8.566 1.005 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.287 3.556 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.725 1.630 -7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.847 0.955 -6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.555 2.348 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.503 3.743 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.211 3.448 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.922 1.729 -9.175 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.405 2.953 -9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.179 0.312 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.654 -0.649 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.274 1.721 -10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.416 0.160 -9.348 1.00 0.00 H new ATOM 307 N ARG A 18 -11.159 4.451 -4.699 1.00 0.00 N ATOM 308 CA ARG A 18 -12.153 5.038 -3.816 1.00 0.00 C ATOM 309 C ARG A 18 -12.586 6.408 -4.341 1.00 0.00 C ATOM 310 O ARG A 18 -12.531 6.662 -5.544 1.00 0.00 O ATOM 311 CB ARG A 18 -11.605 5.193 -2.396 1.00 0.00 C ATOM 312 CG ARG A 18 -12.662 4.816 -1.356 1.00 0.00 C ATOM 313 CD ARG A 18 -12.299 3.505 -0.656 1.00 0.00 C ATOM 314 NE ARG A 18 -13.530 2.788 -0.255 1.00 0.00 N ATOM 315 CZ ARG A 18 -14.337 3.176 0.756 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.048 4.280 1.478 1.00 0.00 N ATOM 317 NH2 ARG A 18 -15.412 2.460 1.028 1.00 0.00 N ATOM 0 H ARG A 18 -10.740 5.103 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.012 4.367 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.725 4.562 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.284 6.222 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.752 5.613 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.634 4.717 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.705 2.880 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.685 3.709 0.221 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.785 1.948 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.215 4.828 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.663 4.566 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.623 1.627 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.032 2.739 1.788 1.00 0.00 H new ATOM 330 N GLY A 19 -13.008 7.255 -3.414 1.00 0.00 N ATOM 331 CA GLY A 19 -13.450 8.593 -3.769 1.00 0.00 C ATOM 332 C GLY A 19 -12.275 9.573 -3.785 1.00 0.00 C ATOM 333 O GLY A 19 -12.383 10.685 -3.270 1.00 0.00 O ATOM 0 H GLY A 19 -13.053 7.041 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.926 8.574 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.202 8.933 -3.056 1.00 0.00 H new ATOM 337 N LEU A 20 -11.180 9.124 -4.380 1.00 0.00 N ATOM 338 CA LEU A 20 -9.986 9.948 -4.470 1.00 0.00 C ATOM 339 C LEU A 20 -9.339 9.752 -5.843 1.00 0.00 C ATOM 340 O LEU A 20 -8.745 8.708 -6.110 1.00 0.00 O ATOM 341 CB LEU A 20 -9.045 9.657 -3.299 1.00 0.00 C ATOM 342 CG LEU A 20 -9.207 10.553 -2.070 1.00 0.00 C ATOM 343 CD1 LEU A 20 -10.431 10.141 -1.249 1.00 0.00 C ATOM 344 CD2 LEU A 20 -7.930 10.565 -1.228 1.00 0.00 C ATOM 0 H LEU A 20 -11.094 8.201 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.244 11.004 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.190 8.622 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.018 9.743 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.377 11.574 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.523 10.794 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.327 10.226 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.316 9.109 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.072 11.210 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.705 9.552 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.102 10.942 -1.828 1.00 0.00 H new ATOM 356 N LEU A 21 -9.475 10.772 -6.677 1.00 0.00 N ATOM 357 CA LEU A 21 -8.911 10.725 -8.015 1.00 0.00 C ATOM 358 C LEU A 21 -7.394 10.554 -7.918 1.00 0.00 C ATOM 359 O LEU A 21 -6.861 9.502 -8.266 1.00 0.00 O ATOM 360 CB LEU A 21 -9.342 11.952 -8.821 1.00 0.00 C ATOM 361 CG LEU A 21 -8.620 12.166 -10.154 1.00 0.00 C ATOM 362 CD1 LEU A 21 -8.986 11.071 -11.157 1.00 0.00 C ATOM 363 CD2 LEU A 21 -8.895 13.566 -10.707 1.00 0.00 C ATOM 0 H LEU A 21 -9.968 11.636 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.295 9.863 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.411 11.876 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.194 12.838 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.547 12.095 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.460 11.246 -12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.698 10.099 -10.756 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.061 11.086 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.371 13.693 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.966 13.691 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.544 14.314 -9.996 1.00 0.00 H new ATOM 375 N GLU A 22 -6.741 11.605 -7.444 1.00 0.00 N ATOM 376 CA GLU A 22 -5.296 11.585 -7.298 1.00 0.00 C ATOM 377 C GLU A 22 -4.840 10.245 -6.716 1.00 0.00 C ATOM 378 O GLU A 22 -4.017 9.553 -7.312 1.00 0.00 O ATOM 379 CB GLU A 22 -4.816 12.750 -6.431 1.00 0.00 C ATOM 380 CG GLU A 22 -3.548 13.380 -7.011 1.00 0.00 C ATOM 381 CD GLU A 22 -3.858 14.721 -7.680 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.841 15.383 -7.315 1.00 0.00 O ATOM 383 OE2 GLU A 22 -3.035 15.070 -8.609 1.00 0.00 O ATOM 0 H GLU A 22 -7.187 12.476 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.849 11.702 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.601 13.503 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.621 12.398 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.815 13.526 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.100 12.702 -7.738 1.00 0.00 H new ATOM 391 N LEU A 23 -5.396 9.919 -5.558 1.00 0.00 N ATOM 392 CA LEU A 23 -5.057 8.675 -4.889 1.00 0.00 C ATOM 393 C LEU A 23 -5.175 7.518 -5.883 1.00 0.00 C ATOM 394 O LEU A 23 -4.341 6.614 -5.890 1.00 0.00 O ATOM 395 CB LEU A 23 -5.909 8.494 -3.631 1.00 0.00 C ATOM 396 CG LEU A 23 -5.316 7.597 -2.542 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.822 7.870 -2.361 1.00 0.00 C ATOM 398 CD2 LEU A 23 -6.089 7.743 -1.230 1.00 0.00 C ATOM 0 H LEU A 23 -6.079 10.495 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.023 8.697 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.099 9.477 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.875 8.083 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.417 6.560 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.425 7.220 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.300 7.674 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.674 8.911 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.647 7.095 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.042 8.779 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.130 7.460 -1.387 1.00 0.00 H new ATOM 410 N ASP A 24 -6.217 7.584 -6.698 1.00 0.00 N ATOM 411 CA ASP A 24 -6.455 6.553 -7.694 1.00 0.00 C ATOM 412 C ASP A 24 -5.277 6.511 -8.669 1.00 0.00 C ATOM 413 O ASP A 24 -4.886 5.440 -9.131 1.00 0.00 O ATOM 414 CB ASP A 24 -7.724 6.845 -8.497 1.00 0.00 C ATOM 415 CG ASP A 24 -8.631 5.636 -8.736 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.160 5.038 -7.788 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.787 5.309 -9.974 1.00 0.00 O ATOM 0 H ASP A 24 -6.906 8.336 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.569 5.602 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.297 7.612 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.437 7.261 -9.463 1.00 0.00 H new ATOM 423 N LEU A 25 -4.744 7.690 -8.954 1.00 0.00 N ATOM 424 CA LEU A 25 -3.618 7.801 -9.866 1.00 0.00 C ATOM 425 C LEU A 25 -2.344 7.339 -9.156 1.00 0.00 C ATOM 426 O LEU A 25 -1.601 6.513 -9.683 1.00 0.00 O ATOM 427 CB LEU A 25 -3.526 9.220 -10.433 1.00 0.00 C ATOM 428 CG LEU A 25 -4.851 9.969 -10.583 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.650 11.298 -11.314 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.903 9.093 -11.266 1.00 0.00 C ATOM 0 H LEU A 25 -5.071 8.576 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.759 7.147 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.871 9.806 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.048 9.169 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.225 10.203 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.608 11.810 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.958 11.923 -10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.241 11.109 -12.307 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.835 9.650 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.550 8.806 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.074 8.197 -10.669 1.00 0.00 H new ATOM 442 N ILE A 26 -2.131 7.893 -7.971 1.00 0.00 N ATOM 443 CA ILE A 26 -0.960 7.548 -7.184 1.00 0.00 C ATOM 444 C ILE A 26 -0.704 6.043 -7.290 1.00 0.00 C ATOM 445 O ILE A 26 0.346 5.621 -7.772 1.00 0.00 O ATOM 446 CB ILE A 26 -1.117 8.044 -5.745 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.237 9.569 -5.701 1.00 0.00 C ATOM 448 CG2 ILE A 26 0.023 7.533 -4.861 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.000 10.023 -4.455 1.00 0.00 C ATOM 0 H ILE A 26 -2.750 8.578 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.076 8.051 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.044 7.636 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.243 10.016 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.750 9.923 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.113 7.900 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.020 6.443 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.975 7.891 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.071 11.111 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.002 9.594 -4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.471 9.688 -3.563 1.00 0.00 H new ATOM 461 N PHE A 27 -1.682 5.275 -6.834 1.00 0.00 N ATOM 462 CA PHE A 27 -1.576 3.826 -6.872 1.00 0.00 C ATOM 463 C PHE A 27 -1.013 3.353 -8.213 1.00 0.00 C ATOM 464 O PHE A 27 -0.134 2.493 -8.253 1.00 0.00 O ATOM 465 CB PHE A 27 -2.991 3.269 -6.702 1.00 0.00 C ATOM 466 CG PHE A 27 -3.590 3.505 -5.314 1.00 0.00 C ATOM 467 CD1 PHE A 27 -2.965 3.013 -4.211 1.00 0.00 C ATOM 468 CD2 PHE A 27 -4.748 4.207 -5.183 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.520 3.232 -2.923 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.304 4.426 -3.895 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.678 3.933 -2.792 1.00 0.00 C ATOM 0 H PHE A 27 -2.552 5.629 -6.436 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.906 3.481 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.642 3.723 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.975 2.198 -6.902 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.046 2.455 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.244 4.598 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.023 2.842 -2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.223 4.983 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.101 4.098 -1.812 1.00 0.00 H new ATOM 481 N GLY A 28 -1.541 3.935 -9.280 1.00 0.00 N ATOM 482 CA GLY A 28 -1.101 3.584 -10.619 1.00 0.00 C ATOM 483 C GLY A 28 0.421 3.442 -10.677 1.00 0.00 C ATOM 484 O GLY A 28 0.936 2.433 -11.156 1.00 0.00 O ATOM 0 H GLY A 28 -2.270 4.648 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.569 2.649 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.425 4.349 -11.324 1.00 0.00 H new ATOM 488 N ARG A 29 1.098 4.467 -10.182 1.00 0.00 N ATOM 489 CA ARG A 29 2.551 4.469 -10.172 1.00 0.00 C ATOM 490 C ARG A 29 3.074 3.752 -8.925 1.00 0.00 C ATOM 491 O ARG A 29 3.891 2.838 -9.028 1.00 0.00 O ATOM 492 CB ARG A 29 3.101 5.897 -10.198 1.00 0.00 C ATOM 493 CG ARG A 29 3.526 6.295 -11.613 1.00 0.00 C ATOM 494 CD ARG A 29 4.982 5.906 -11.877 1.00 0.00 C ATOM 495 NE ARG A 29 5.453 6.532 -13.133 1.00 0.00 N ATOM 496 CZ ARG A 29 6.719 6.443 -13.594 1.00 0.00 C ATOM 497 NH1 ARG A 29 7.652 5.752 -12.906 1.00 0.00 N ATOM 498 NH2 ARG A 29 7.030 7.042 -14.728 1.00 0.00 N ATOM 0 H ARG A 29 0.667 5.302 -9.785 1.00 0.00 H new ATOM 0 HA ARG A 29 2.889 3.945 -11.066 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.342 6.590 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.953 5.975 -9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.878 5.808 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.403 7.370 -11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.609 6.225 -11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.071 4.822 -11.946 1.00 0.00 H new ATOM 0 HE ARG A 29 4.779 7.064 -13.684 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.403 5.292 -12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.606 5.690 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.319 7.562 -15.242 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.982 6.985 -15.091 1.00 0.00 H new ATOM 511 N PHE A 30 2.582 4.193 -7.777 1.00 0.00 N ATOM 512 CA PHE A 30 2.989 3.605 -6.513 1.00 0.00 C ATOM 513 C PHE A 30 2.965 2.077 -6.586 1.00 0.00 C ATOM 514 O PHE A 30 3.932 1.418 -6.207 1.00 0.00 O ATOM 515 CB PHE A 30 1.982 4.069 -5.459 1.00 0.00 C ATOM 516 CG PHE A 30 1.749 3.059 -4.333 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.786 2.317 -3.861 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.506 2.904 -3.805 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.571 1.379 -2.816 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.290 1.967 -2.760 1.00 0.00 C ATOM 521 CZ PHE A 30 1.327 1.224 -2.287 1.00 0.00 C ATOM 0 H PHE A 30 1.905 4.951 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 30 4.005 3.914 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.331 5.006 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.031 4.278 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.773 2.441 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.317 3.494 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.395 0.789 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.698 1.844 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.163 0.512 -1.492 1.00 0.00 H new ATOM 531 N MET A 31 1.849 1.557 -7.076 1.00 0.00 N ATOM 532 CA MET A 31 1.686 0.119 -7.204 1.00 0.00 C ATOM 533 C MET A 31 2.746 -0.472 -8.135 1.00 0.00 C ATOM 534 O MET A 31 3.421 -1.437 -7.780 1.00 0.00 O ATOM 535 CB MET A 31 0.292 -0.190 -7.755 1.00 0.00 C ATOM 536 CG MET A 31 -0.791 0.145 -6.727 1.00 0.00 C ATOM 537 SD MET A 31 -2.398 -0.288 -7.371 1.00 0.00 S ATOM 538 CE MET A 31 -2.312 -2.067 -7.250 1.00 0.00 C ATOM 0 H MET A 31 1.049 2.106 -7.389 1.00 0.00 H new ATOM 0 HA MET A 31 1.804 -0.331 -6.218 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.122 0.383 -8.667 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.229 -1.244 -8.024 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.604 -0.396 -5.800 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.760 1.208 -6.487 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.429 -2.505 -8.241 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.346 -2.357 -6.836 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.109 -2.426 -6.598 1.00 0.00 H new ATOM 548 N GLU A 32 2.859 0.131 -9.309 1.00 0.00 N ATOM 549 CA GLU A 32 3.826 -0.323 -10.294 1.00 0.00 C ATOM 550 C GLU A 32 5.250 -0.136 -9.767 1.00 0.00 C ATOM 551 O GLU A 32 6.175 -0.811 -10.214 1.00 0.00 O ATOM 552 CB GLU A 32 3.634 0.404 -11.627 1.00 0.00 C ATOM 553 CG GLU A 32 3.581 -0.588 -12.790 1.00 0.00 C ATOM 554 CD GLU A 32 3.909 0.103 -14.115 1.00 0.00 C ATOM 555 OE1 GLU A 32 3.647 1.306 -14.269 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.455 -0.655 -15.005 1.00 0.00 O ATOM 0 H GLU A 32 2.297 0.931 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 32 3.663 -1.386 -10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.713 0.986 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.451 1.108 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.288 -1.399 -12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.589 -1.036 -12.845 1.00 0.00 H new ATOM 564 N LYS A 33 5.380 0.786 -8.824 1.00 0.00 N ATOM 565 CA LYS A 33 6.676 1.071 -8.230 1.00 0.00 C ATOM 566 C LYS A 33 6.827 0.270 -6.936 1.00 0.00 C ATOM 567 O LYS A 33 7.921 0.178 -6.382 1.00 0.00 O ATOM 568 CB LYS A 33 6.861 2.578 -8.046 1.00 0.00 C ATOM 569 CG LYS A 33 8.117 3.069 -8.768 1.00 0.00 C ATOM 570 CD LYS A 33 9.382 2.624 -8.032 1.00 0.00 C ATOM 571 CE LYS A 33 10.520 2.347 -9.016 1.00 0.00 C ATOM 572 NZ LYS A 33 11.512 1.428 -8.415 1.00 0.00 N ATOM 0 H LYS A 33 4.610 1.345 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 33 7.478 0.754 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.987 3.105 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.933 2.812 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.130 2.682 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.098 4.156 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.687 3.396 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.172 1.726 -7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.119 1.911 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.004 3.283 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.278 1.250 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.907 1.858 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.049 0.529 -8.172 1.00 0.00 H new ATOM 585 N GLU A 34 5.711 -0.291 -6.491 1.00 0.00 N ATOM 586 CA GLU A 34 5.706 -1.081 -5.271 1.00 0.00 C ATOM 587 C GLU A 34 5.053 -2.442 -5.524 1.00 0.00 C ATOM 588 O GLU A 34 5.743 -3.456 -5.620 1.00 0.00 O ATOM 589 CB GLU A 34 4.998 -0.336 -4.138 1.00 0.00 C ATOM 590 CG GLU A 34 5.885 0.775 -3.574 1.00 0.00 C ATOM 591 CD GLU A 34 6.707 0.270 -2.386 1.00 0.00 C ATOM 592 OE1 GLU A 34 6.403 -0.796 -1.830 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.695 1.027 -2.045 1.00 0.00 O ATOM 0 H GLU A 34 4.805 -0.214 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 34 6.739 -1.246 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.065 0.090 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.738 -1.036 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.553 1.143 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.266 1.616 -3.261 1.00 0.00 H new ATOM 601 N PHE A 35 3.733 -2.420 -5.625 1.00 0.00 N ATOM 602 CA PHE A 35 2.980 -3.639 -5.865 1.00 0.00 C ATOM 603 C PHE A 35 3.691 -4.531 -6.885 1.00 0.00 C ATOM 604 O PHE A 35 3.634 -5.756 -6.790 1.00 0.00 O ATOM 605 CB PHE A 35 1.621 -3.222 -6.430 1.00 0.00 C ATOM 606 CG PHE A 35 0.614 -4.369 -6.540 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.217 -5.035 -5.423 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.117 -4.723 -7.756 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.717 -6.100 -5.526 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.817 -5.787 -7.858 1.00 0.00 C ATOM 611 CZ PHE A 35 -1.215 -6.453 -6.741 1.00 0.00 C ATOM 0 H PHE A 35 3.165 -1.577 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 35 2.879 -4.202 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.200 -2.442 -5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.768 -2.785 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.612 -4.754 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.433 -4.195 -8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.032 -6.630 -4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.212 -6.068 -8.823 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.926 -7.262 -6.819 1.00 0.00 H new ATOM 621 N GLU A 36 4.344 -3.881 -7.837 1.00 0.00 N ATOM 622 CA GLU A 36 5.065 -4.600 -8.874 1.00 0.00 C ATOM 623 C GLU A 36 6.243 -5.365 -8.268 1.00 0.00 C ATOM 624 O GLU A 36 6.533 -6.489 -8.675 1.00 0.00 O ATOM 625 CB GLU A 36 5.537 -3.647 -9.974 1.00 0.00 C ATOM 626 CG GLU A 36 5.270 -4.236 -11.361 1.00 0.00 C ATOM 627 CD GLU A 36 6.438 -5.110 -11.820 1.00 0.00 C ATOM 628 OE1 GLU A 36 6.322 -6.345 -11.831 1.00 0.00 O ATOM 629 OE2 GLU A 36 7.496 -4.464 -12.175 1.00 0.00 O ATOM 0 H GLU A 36 4.389 -2.865 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 36 4.386 -5.320 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.024 -2.690 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.603 -3.450 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.355 -4.828 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.111 -3.430 -12.078 1.00 0.00 H new ATOM 637 N HIS A 37 6.891 -4.725 -7.305 1.00 0.00 N ATOM 638 CA HIS A 37 8.031 -5.331 -6.639 1.00 0.00 C ATOM 639 C HIS A 37 7.558 -6.083 -5.394 1.00 0.00 C ATOM 640 O HIS A 37 8.295 -6.895 -4.838 1.00 0.00 O ATOM 641 CB HIS A 37 9.099 -4.281 -6.328 1.00 0.00 C ATOM 642 CG HIS A 37 10.436 -4.554 -6.975 1.00 0.00 C ATOM 643 ND1 HIS A 37 11.441 -3.605 -7.050 1.00 0.00 N ATOM 644 CD2 HIS A 37 10.923 -5.679 -7.573 1.00 0.00 C ATOM 645 CE1 HIS A 37 12.480 -4.145 -7.669 1.00 0.00 C ATOM 646 NE2 HIS A 37 12.157 -5.430 -7.993 1.00 0.00 N ATOM 0 H HIS A 37 6.648 -3.793 -6.970 1.00 0.00 H new ATOM 0 HA HIS A 37 8.501 -6.057 -7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.741 -3.305 -6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.234 -4.224 -5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.394 -6.614 -7.686 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.418 -3.654 -7.880 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.764 -6.091 -8.478 1.00 0.00 H new ATOM 654 N LEU A 38 6.331 -5.785 -4.992 1.00 0.00 N ATOM 655 CA LEU A 38 5.750 -6.422 -3.823 1.00 0.00 C ATOM 656 C LEU A 38 5.823 -7.942 -3.987 1.00 0.00 C ATOM 657 O LEU A 38 6.489 -8.441 -4.893 1.00 0.00 O ATOM 658 CB LEU A 38 4.335 -5.898 -3.573 1.00 0.00 C ATOM 659 CG LEU A 38 4.237 -4.502 -2.955 1.00 0.00 C ATOM 660 CD1 LEU A 38 2.797 -4.183 -2.546 1.00 0.00 C ATOM 661 CD2 LEU A 38 5.211 -4.350 -1.785 1.00 0.00 C ATOM 0 H LEU A 38 5.723 -5.110 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 38 6.320 -6.169 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.798 -5.892 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.819 -6.601 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 38 4.526 -3.773 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.755 -3.185 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.152 -4.222 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.457 -4.914 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.121 -3.349 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.977 -5.088 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.231 -4.505 -2.138 1.00 0.00 H new ATOM 673 N SER A 39 5.128 -8.635 -3.097 1.00 0.00 N ATOM 674 CA SER A 39 5.106 -10.087 -3.132 1.00 0.00 C ATOM 675 C SER A 39 3.952 -10.613 -2.275 1.00 0.00 C ATOM 676 O SER A 39 3.240 -9.836 -1.642 1.00 0.00 O ATOM 677 CB SER A 39 6.435 -10.671 -2.648 1.00 0.00 C ATOM 678 OG SER A 39 7.549 -10.095 -3.326 1.00 0.00 O ATOM 0 H SER A 39 4.576 -8.218 -2.348 1.00 0.00 H new ATOM 0 HA SER A 39 4.957 -10.402 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.536 -10.502 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.435 -11.750 -2.802 1.00 0.00 H new ATOM 0 HG SER A 39 7.246 -9.684 -4.162 1.00 0.00 H new ATOM 684 N ASP A 40 3.805 -11.930 -2.282 1.00 0.00 N ATOM 685 CA ASP A 40 2.750 -12.569 -1.513 1.00 0.00 C ATOM 686 C ASP A 40 2.807 -12.073 -0.067 1.00 0.00 C ATOM 687 O ASP A 40 1.864 -11.450 0.417 1.00 0.00 O ATOM 688 CB ASP A 40 2.923 -14.089 -1.499 1.00 0.00 C ATOM 689 CG ASP A 40 3.411 -14.697 -2.816 1.00 0.00 C ATOM 690 OD1 ASP A 40 3.450 -14.022 -3.855 1.00 0.00 O ATOM 691 OD2 ASP A 40 3.765 -15.935 -2.746 1.00 0.00 O ATOM 0 H ASP A 40 4.398 -12.572 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 40 1.796 -12.319 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.629 -14.352 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.969 -14.546 -1.237 1.00 0.00 H new ATOM 697 N LYS A 41 3.923 -12.369 0.583 1.00 0.00 N ATOM 698 CA LYS A 41 4.115 -11.961 1.964 1.00 0.00 C ATOM 699 C LYS A 41 4.175 -10.434 2.037 1.00 0.00 C ATOM 700 O LYS A 41 3.953 -9.850 3.096 1.00 0.00 O ATOM 701 CB LYS A 41 5.342 -12.654 2.561 1.00 0.00 C ATOM 702 CG LYS A 41 5.651 -12.112 3.959 1.00 0.00 C ATOM 703 CD LYS A 41 6.191 -13.218 4.868 1.00 0.00 C ATOM 704 CE LYS A 41 5.793 -12.972 6.325 1.00 0.00 C ATOM 705 NZ LYS A 41 6.943 -12.447 7.095 1.00 0.00 N ATOM 0 H LYS A 41 4.703 -12.887 0.179 1.00 0.00 H new ATOM 0 HA LYS A 41 3.270 -12.276 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.168 -13.729 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.203 -12.502 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.381 -11.306 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.748 -11.686 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.806 -14.184 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.277 -13.263 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.966 -12.264 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.441 -13.901 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.656 -12.286 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.722 -13.136 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.261 -11.550 6.676 1.00 0.00 H new ATOM 718 N GLU A 42 4.477 -9.831 0.896 1.00 0.00 N ATOM 719 CA GLU A 42 4.568 -8.383 0.817 1.00 0.00 C ATOM 720 C GLU A 42 3.185 -7.775 0.577 1.00 0.00 C ATOM 721 O GLU A 42 3.003 -6.566 0.705 1.00 0.00 O ATOM 722 CB GLU A 42 5.552 -7.954 -0.273 1.00 0.00 C ATOM 723 CG GLU A 42 6.865 -7.458 0.337 1.00 0.00 C ATOM 724 CD GLU A 42 7.840 -7.009 -0.753 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.470 -7.853 -1.407 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.932 -5.732 -0.911 1.00 0.00 O ATOM 0 H GLU A 42 4.662 -10.319 0.019 1.00 0.00 H new ATOM 0 HA GLU A 42 4.946 -8.011 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.751 -8.794 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.107 -7.165 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.665 -6.628 1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.318 -8.253 0.930 1.00 0.00 H new ATOM 734 N LEU A 43 2.245 -8.643 0.232 1.00 0.00 N ATOM 735 CA LEU A 43 0.883 -8.207 -0.027 1.00 0.00 C ATOM 736 C LEU A 43 0.215 -7.822 1.294 1.00 0.00 C ATOM 737 O LEU A 43 -0.546 -6.858 1.351 1.00 0.00 O ATOM 738 CB LEU A 43 0.120 -9.275 -0.814 1.00 0.00 C ATOM 739 CG LEU A 43 0.582 -9.505 -2.254 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.600 -9.854 -3.161 1.00 0.00 C ATOM 741 CD2 LEU A 43 1.369 -8.301 -2.777 1.00 0.00 C ATOM 0 H LEU A 43 2.400 -9.646 0.126 1.00 0.00 H new ATOM 0 HA LEU A 43 0.881 -7.317 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.195 -10.219 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.935 -9.001 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 43 1.258 -10.360 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.243 -10.012 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.080 -10.763 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.320 -9.035 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.686 -8.491 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.736 -7.414 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.246 -8.140 -2.151 1.00 0.00 H new ATOM 753 N SER A 44 0.523 -8.596 2.324 1.00 0.00 N ATOM 754 CA SER A 44 -0.038 -8.348 3.641 1.00 0.00 C ATOM 755 C SER A 44 0.221 -6.898 4.056 1.00 0.00 C ATOM 756 O SER A 44 -0.718 -6.145 4.310 1.00 0.00 O ATOM 757 CB SER A 44 0.546 -9.309 4.679 1.00 0.00 C ATOM 758 OG SER A 44 0.387 -10.672 4.294 1.00 0.00 O ATOM 0 H SER A 44 1.154 -9.396 2.273 1.00 0.00 H new ATOM 0 HA SER A 44 -1.113 -8.519 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.605 -9.093 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.059 -9.145 5.640 1.00 0.00 H new ATOM 0 HG SER A 44 0.774 -11.253 4.982 1.00 0.00 H new ATOM 764 N GLU A 45 1.498 -6.551 4.111 1.00 0.00 N ATOM 765 CA GLU A 45 1.892 -5.205 4.491 1.00 0.00 C ATOM 766 C GLU A 45 1.069 -4.173 3.716 1.00 0.00 C ATOM 767 O GLU A 45 0.604 -3.189 4.288 1.00 0.00 O ATOM 768 CB GLU A 45 3.390 -4.989 4.270 1.00 0.00 C ATOM 769 CG GLU A 45 3.812 -5.456 2.875 1.00 0.00 C ATOM 770 CD GLU A 45 5.292 -5.160 2.622 1.00 0.00 C ATOM 771 OE1 GLU A 45 6.161 -5.929 3.060 1.00 0.00 O ATOM 772 OE2 GLU A 45 5.525 -4.089 1.943 1.00 0.00 O ATOM 0 H GLU A 45 2.274 -7.179 3.899 1.00 0.00 H new ATOM 0 HA GLU A 45 1.693 -5.076 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.631 -3.933 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.955 -5.534 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.629 -6.526 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.204 -4.957 2.121 1.00 0.00 H new ATOM 780 N PHE A 46 0.916 -4.434 2.426 1.00 0.00 N ATOM 781 CA PHE A 46 0.158 -3.540 1.567 1.00 0.00 C ATOM 782 C PHE A 46 -1.294 -3.428 2.038 1.00 0.00 C ATOM 783 O PHE A 46 -1.772 -2.333 2.331 1.00 0.00 O ATOM 784 CB PHE A 46 0.180 -4.145 0.162 1.00 0.00 C ATOM 785 CG PHE A 46 -0.093 -3.135 -0.954 1.00 0.00 C ATOM 786 CD1 PHE A 46 -0.440 -1.857 -0.645 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.011 -3.515 -2.256 1.00 0.00 C ATOM 788 CE1 PHE A 46 -0.694 -0.919 -1.681 1.00 0.00 C ATOM 789 CE2 PHE A 46 -0.243 -2.578 -3.292 1.00 0.00 C ATOM 790 CZ PHE A 46 -0.589 -1.299 -2.983 1.00 0.00 C ATOM 0 H PHE A 46 1.304 -5.251 1.955 1.00 0.00 H new ATOM 0 HA PHE A 46 0.597 -2.543 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.153 -4.606 -0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.563 -4.940 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.523 -1.555 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.287 -4.530 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.970 0.096 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.162 -2.881 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.780 -0.586 -3.771 1.00 0.00 H new ATOM 800 N SER A 47 -1.954 -4.575 2.096 1.00 0.00 N ATOM 801 CA SER A 47 -3.342 -4.618 2.526 1.00 0.00 C ATOM 802 C SER A 47 -3.462 -4.097 3.959 1.00 0.00 C ATOM 803 O SER A 47 -4.514 -3.598 4.356 1.00 0.00 O ATOM 804 CB SER A 47 -3.904 -6.038 2.429 1.00 0.00 C ATOM 805 OG SER A 47 -5.007 -6.116 1.530 1.00 0.00 O ATOM 0 H SER A 47 -1.554 -5.481 1.853 1.00 0.00 H new ATOM 0 HA SER A 47 -3.926 -3.979 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.118 -6.717 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.218 -6.372 3.418 1.00 0.00 H new ATOM 0 HG SER A 47 -5.336 -7.039 1.495 1.00 0.00 H new ATOM 811 N GLU A 48 -2.369 -4.229 4.697 1.00 0.00 N ATOM 812 CA GLU A 48 -2.339 -3.777 6.077 1.00 0.00 C ATOM 813 C GLU A 48 -2.263 -2.250 6.134 1.00 0.00 C ATOM 814 O GLU A 48 -2.925 -1.623 6.959 1.00 0.00 O ATOM 815 CB GLU A 48 -1.173 -4.413 6.837 1.00 0.00 C ATOM 816 CG GLU A 48 -1.536 -4.645 8.305 1.00 0.00 C ATOM 817 CD GLU A 48 -1.830 -6.123 8.570 1.00 0.00 C ATOM 818 OE1 GLU A 48 -3.003 -6.521 8.626 1.00 0.00 O ATOM 819 OE2 GLU A 48 -0.788 -6.868 8.719 1.00 0.00 O ATOM 0 H GLU A 48 -1.498 -4.643 4.365 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.262 -4.094 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.905 -5.361 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.297 -3.767 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.717 -4.313 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.407 -4.045 8.567 1.00 0.00 H new ATOM 827 N ILE A 49 -1.450 -1.696 5.247 1.00 0.00 N ATOM 828 CA ILE A 49 -1.279 -0.254 5.186 1.00 0.00 C ATOM 829 C ILE A 49 -2.507 0.373 4.522 1.00 0.00 C ATOM 830 O ILE A 49 -2.990 1.415 4.961 1.00 0.00 O ATOM 831 CB ILE A 49 0.040 0.100 4.497 1.00 0.00 C ATOM 832 CG1 ILE A 49 1.010 0.761 5.479 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.202 0.967 3.260 1.00 0.00 C ATOM 834 CD1 ILE A 49 2.273 1.243 4.761 1.00 0.00 C ATOM 0 H ILE A 49 -0.902 -2.220 4.564 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.210 0.164 6.190 1.00 0.00 H new ATOM 0 HB ILE A 49 0.506 -0.824 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.521 1.604 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.280 0.052 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.752 1.204 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.830 0.425 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.700 1.890 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.946 1.709 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.773 0.394 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.001 1.970 3.995 1.00 0.00 H new ATOM 846 N LEU A 50 -2.977 -0.289 3.475 1.00 0.00 N ATOM 847 CA LEU A 50 -4.139 0.190 2.746 1.00 0.00 C ATOM 848 C LEU A 50 -5.362 0.155 3.665 1.00 0.00 C ATOM 849 O LEU A 50 -6.389 0.759 3.361 1.00 0.00 O ATOM 850 CB LEU A 50 -4.322 -0.600 1.449 1.00 0.00 C ATOM 851 CG LEU A 50 -3.182 -0.494 0.433 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.333 -1.543 -0.670 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.082 0.924 -0.132 1.00 0.00 C ATOM 0 H LEU A 50 -2.574 -1.154 3.114 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.997 1.227 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.459 -1.651 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.242 -0.265 0.970 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.244 -0.701 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.511 -1.446 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.317 -2.540 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.279 -1.391 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.264 0.972 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.017 1.185 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.893 1.627 0.680 1.00 0.00 H new ATOM 865 N GLU A 51 -5.211 -0.560 4.771 1.00 0.00 N ATOM 866 CA GLU A 51 -6.291 -0.682 5.736 1.00 0.00 C ATOM 867 C GLU A 51 -7.068 0.633 5.832 1.00 0.00 C ATOM 868 O GLU A 51 -8.285 0.627 6.013 1.00 0.00 O ATOM 869 CB GLU A 51 -5.756 -1.105 7.106 1.00 0.00 C ATOM 870 CG GLU A 51 -5.579 -2.622 7.180 1.00 0.00 C ATOM 871 CD GLU A 51 -6.687 -3.264 8.018 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.789 -2.706 8.119 1.00 0.00 O ATOM 873 OE2 GLU A 51 -6.370 -4.383 8.576 1.00 0.00 O ATOM 0 H GLU A 51 -4.358 -1.060 5.020 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.973 -1.460 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.801 -0.614 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.443 -0.777 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.589 -3.042 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.607 -2.857 7.614 1.00 0.00 H new ATOM 881 N PHE A 52 -6.333 1.728 5.708 1.00 0.00 N ATOM 882 CA PHE A 52 -6.938 3.047 5.779 1.00 0.00 C ATOM 883 C PHE A 52 -7.620 3.409 4.458 1.00 0.00 C ATOM 884 O PHE A 52 -7.150 3.028 3.388 1.00 0.00 O ATOM 885 CB PHE A 52 -5.808 4.044 6.046 1.00 0.00 C ATOM 886 CG PHE A 52 -5.488 4.239 7.529 1.00 0.00 C ATOM 887 CD1 PHE A 52 -4.931 3.224 8.244 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.760 5.426 8.133 1.00 0.00 C ATOM 889 CE1 PHE A 52 -4.634 3.405 9.620 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.462 5.607 9.510 1.00 0.00 C ATOM 891 CZ PHE A 52 -4.905 4.593 10.224 1.00 0.00 C ATOM 0 H PHE A 52 -5.324 1.729 5.559 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.693 3.068 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.909 3.704 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.077 5.007 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.715 2.281 7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.203 6.231 7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.193 2.599 10.188 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.678 6.550 9.990 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.678 4.731 11.271 1.00 0.00 H new ATOM 901 N GLN A 53 -8.718 4.142 4.577 1.00 0.00 N ATOM 902 CA GLN A 53 -9.469 4.560 3.406 1.00 0.00 C ATOM 903 C GLN A 53 -8.640 5.529 2.561 1.00 0.00 C ATOM 904 O GLN A 53 -7.541 5.917 2.955 1.00 0.00 O ATOM 905 CB GLN A 53 -10.806 5.187 3.807 1.00 0.00 C ATOM 906 CG GLN A 53 -11.431 4.438 4.985 1.00 0.00 C ATOM 907 CD GLN A 53 -11.456 5.312 6.241 1.00 0.00 C ATOM 908 OE1 GLN A 53 -11.972 6.418 6.248 1.00 0.00 O ATOM 909 NE2 GLN A 53 -10.871 4.757 7.298 1.00 0.00 N ATOM 0 H GLN A 53 -9.105 4.457 5.467 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.685 3.678 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.656 6.233 4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.489 5.171 2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.446 4.134 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.865 3.527 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.458 3.827 7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.835 5.261 8.184 1.00 0.00 H new ATOM 918 N ASP A 54 -9.198 5.893 1.416 1.00 0.00 N ATOM 919 CA ASP A 54 -8.524 6.810 0.513 1.00 0.00 C ATOM 920 C ASP A 54 -8.375 8.172 1.194 1.00 0.00 C ATOM 921 O ASP A 54 -7.290 8.753 1.197 1.00 0.00 O ATOM 922 CB ASP A 54 -9.330 7.009 -0.772 1.00 0.00 C ATOM 923 CG ASP A 54 -8.907 6.123 -1.945 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.242 6.397 -3.107 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.194 5.097 -1.623 1.00 0.00 O ATOM 0 H ASP A 54 -10.110 5.569 1.093 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.551 6.386 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.382 6.822 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.248 8.052 -1.076 1.00 0.00 H new ATOM 931 N GLN A 55 -9.479 8.642 1.753 1.00 0.00 N ATOM 932 CA GLN A 55 -9.485 9.925 2.436 1.00 0.00 C ATOM 933 C GLN A 55 -8.488 9.914 3.596 1.00 0.00 C ATOM 934 O GLN A 55 -7.644 10.801 3.703 1.00 0.00 O ATOM 935 CB GLN A 55 -10.891 10.281 2.923 1.00 0.00 C ATOM 936 CG GLN A 55 -11.188 11.766 2.705 1.00 0.00 C ATOM 937 CD GLN A 55 -11.664 12.426 4.000 1.00 0.00 C ATOM 938 OE1 GLN A 55 -12.218 11.792 4.883 1.00 0.00 O ATOM 939 NE2 GLN A 55 -11.419 13.732 4.063 1.00 0.00 N ATOM 0 H GLN A 55 -10.377 8.158 1.747 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.177 10.693 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.627 9.678 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.985 10.039 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.292 12.270 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.950 11.879 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.951 14.201 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.699 14.264 4.887 1.00 0.00 H new ATOM 948 N GLU A 56 -8.620 8.898 4.437 1.00 0.00 N ATOM 949 CA GLU A 56 -7.741 8.759 5.586 1.00 0.00 C ATOM 950 C GLU A 56 -6.305 8.497 5.128 1.00 0.00 C ATOM 951 O GLU A 56 -5.380 9.189 5.547 1.00 0.00 O ATOM 952 CB GLU A 56 -8.230 7.650 6.519 1.00 0.00 C ATOM 953 CG GLU A 56 -9.694 7.867 6.910 1.00 0.00 C ATOM 954 CD GLU A 56 -9.829 9.015 7.913 1.00 0.00 C ATOM 955 OE1 GLU A 56 -10.200 10.134 7.528 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.533 8.711 9.131 1.00 0.00 O ATOM 0 H GLU A 56 -9.322 8.164 4.346 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.757 9.694 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.121 6.683 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.610 7.625 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.283 8.086 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.098 6.952 7.343 1.00 0.00 H new ATOM 964 N LEU A 57 -6.165 7.495 4.272 1.00 0.00 N ATOM 965 CA LEU A 57 -4.858 7.132 3.753 1.00 0.00 C ATOM 966 C LEU A 57 -4.108 8.400 3.339 1.00 0.00 C ATOM 967 O LEU A 57 -3.045 8.702 3.879 1.00 0.00 O ATOM 968 CB LEU A 57 -4.994 6.104 2.628 1.00 0.00 C ATOM 969 CG LEU A 57 -3.702 5.731 1.899 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.878 4.735 2.718 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.997 5.210 0.491 1.00 0.00 C ATOM 0 H LEU A 57 -6.935 6.924 3.925 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.263 6.647 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.428 5.195 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.703 6.489 1.895 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.100 6.633 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.965 4.487 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.621 5.179 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.461 3.829 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.061 4.952 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.629 4.325 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.511 5.982 -0.082 1.00 0.00 H new ATOM 983 N LEU A 58 -4.693 9.110 2.384 1.00 0.00 N ATOM 984 CA LEU A 58 -4.094 10.339 1.892 1.00 0.00 C ATOM 985 C LEU A 58 -3.567 11.154 3.075 1.00 0.00 C ATOM 986 O LEU A 58 -2.383 11.483 3.129 1.00 0.00 O ATOM 987 CB LEU A 58 -5.085 11.102 1.011 1.00 0.00 C ATOM 988 CG LEU A 58 -4.479 11.889 -0.153 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.965 10.947 -1.243 1.00 0.00 C ATOM 990 CD2 LEU A 58 -5.477 12.911 -0.702 1.00 0.00 C ATOM 0 H LEU A 58 -5.575 8.857 1.939 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.240 10.117 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.804 10.390 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.642 11.795 1.641 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.620 12.446 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.539 11.532 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.199 10.293 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.790 10.344 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.021 13.457 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.369 12.394 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.752 13.611 0.087 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.473 11.456 3.994 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.115 12.227 5.172 1.00 0.00 C ATOM 1004 C ALA A 59 -2.870 11.614 5.818 1.00 0.00 C ATOM 1005 O ALA A 59 -1.911 12.322 6.119 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.305 12.275 6.132 1.00 0.00 C ATOM 0 H ALA A 59 -5.454 11.181 3.946 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.874 13.254 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.036 12.853 7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.154 12.744 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.573 11.261 6.430 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.927 10.304 6.012 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.817 9.588 6.616 1.00 0.00 C ATOM 1014 C LEU A 60 -0.518 9.979 5.909 1.00 0.00 C ATOM 1015 O LEU A 60 0.376 10.562 6.521 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.087 8.082 6.618 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.483 7.473 7.964 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -2.915 6.015 7.800 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.357 7.626 8.988 1.00 0.00 C ATOM 0 H LEU A 60 -3.725 9.720 5.761 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.708 9.870 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.881 7.874 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.192 7.572 6.260 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.343 8.022 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.191 5.606 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.771 5.963 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.091 5.436 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.665 7.185 9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.463 7.119 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.139 8.684 9.134 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.454 9.643 4.629 1.00 0.00 N ATOM 1032 CA ILE A 61 0.720 9.952 3.831 1.00 0.00 C ATOM 1033 C ILE A 61 1.117 11.412 4.059 1.00 0.00 C ATOM 1034 O ILE A 61 2.295 11.719 4.234 1.00 0.00 O ATOM 1035 CB ILE A 61 0.477 9.604 2.361 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.389 8.089 2.164 1.00 0.00 C ATOM 1037 CG2 ILE A 61 1.541 10.238 1.464 1.00 0.00 C ATOM 1038 CD1 ILE A 61 -0.408 7.745 0.905 1.00 0.00 C ATOM 0 H ILE A 61 -1.197 9.159 4.124 1.00 0.00 H new ATOM 0 HA ILE A 61 1.565 9.338 4.144 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.484 10.024 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.392 7.670 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.083 7.632 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.345 9.975 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.512 11.322 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.526 9.870 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.455 6.662 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.418 8.145 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.080 8.182 0.034 1.00 0.00 H new ATOM 1050 N ASN A 62 0.111 12.274 4.051 1.00 0.00 N ATOM 1051 CA ASN A 62 0.340 13.694 4.254 1.00 0.00 C ATOM 1052 C ASN A 62 0.849 13.925 5.679 1.00 0.00 C ATOM 1053 O ASN A 62 1.601 14.866 5.928 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.954 14.491 4.080 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.721 14.028 2.840 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -2.931 13.874 2.848 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.952 13.814 1.777 1.00 0.00 N ATOM 0 H ASN A 62 -0.865 12.016 3.907 1.00 0.00 H new ATOM 0 HA ASN A 62 1.070 14.027 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.580 14.372 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.723 15.553 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.369 13.502 0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.055 13.962 1.838 1.00 0.00 H new ATOM 1064 N GLY A 63 0.419 13.050 6.576 1.00 0.00 N ATOM 1065 CA GLY A 63 0.822 13.147 7.968 1.00 0.00 C ATOM 1066 C GLY A 63 -0.352 13.577 8.850 1.00 0.00 C ATOM 1067 O GLY A 63 -0.156 14.212 9.885 1.00 0.00 O ATOM 0 H GLY A 63 -0.204 12.271 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.203 12.184 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.637 13.865 8.065 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.547 13.213 8.408 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.753 13.553 9.145 1.00 0.00 C ATOM 1073 C HIS A 64 -3.088 12.430 10.128 1.00 0.00 C ATOM 1074 O HIS A 64 -2.700 12.485 11.294 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.904 13.866 8.187 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.345 15.310 8.207 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -4.939 15.897 9.310 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.272 16.277 7.248 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.208 17.161 9.017 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -4.794 17.395 7.739 1.00 0.00 N ATOM 0 H HIS A 64 -1.706 12.686 7.549 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.585 14.459 9.727 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.601 13.603 7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.755 13.233 8.439 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.860 16.154 6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.674 17.880 9.675 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.872 18.282 7.242 1.00 0.00 H new ATOM 1088 N SER A 65 -3.804 11.437 9.622 1.00 0.00 N ATOM 1089 CA SER A 65 -4.195 10.303 10.441 1.00 0.00 C ATOM 1090 C SER A 65 -2.959 9.670 11.083 1.00 0.00 C ATOM 1091 O SER A 65 -1.833 9.942 10.670 1.00 0.00 O ATOM 1092 CB SER A 65 -4.956 9.264 9.615 1.00 0.00 C ATOM 1093 OG SER A 65 -6.362 9.333 9.834 1.00 0.00 O ATOM 0 H SER A 65 -4.124 11.394 8.654 1.00 0.00 H new ATOM 0 HA SER A 65 -4.861 10.661 11.226 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.746 9.418 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.598 8.266 9.869 1.00 0.00 H new ATOM 0 HG SER A 65 -6.812 8.655 9.288 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.212 8.837 12.082 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.133 8.163 12.785 1.00 0.00 C ATOM 1101 C GLU A 66 -2.153 6.665 12.475 1.00 0.00 C ATOM 1102 O GLU A 66 -3.157 6.139 11.996 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.221 8.413 14.292 1.00 0.00 C ATOM 1104 CG GLU A 66 -3.497 7.802 14.875 1.00 0.00 C ATOM 1105 CD GLU A 66 -3.193 6.492 15.606 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -3.726 5.436 15.233 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -2.370 6.597 16.593 1.00 0.00 O ATOM 0 H GLU A 66 -4.148 8.614 12.421 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.185 8.574 12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.349 7.985 14.787 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.204 9.485 14.488 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.961 8.508 15.564 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.215 7.618 14.076 1.00 0.00 H new ATOM 1115 N THR A 67 -1.032 6.019 12.762 1.00 0.00 N ATOM 1116 CA THR A 67 -0.908 4.592 12.520 1.00 0.00 C ATOM 1117 C THR A 67 -0.199 3.912 13.693 1.00 0.00 C ATOM 1118 O THR A 67 1.028 3.929 13.776 1.00 0.00 O ATOM 1119 CB THR A 67 -0.190 4.399 11.183 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.523 3.069 10.798 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.332 4.373 11.334 1.00 0.00 C ATOM 0 H THR A 67 -0.202 6.458 13.160 1.00 0.00 H new ATOM 0 HA THR A 67 -1.886 4.117 12.452 1.00 0.00 H new ATOM 0 HB THR A 67 -0.474 5.200 10.501 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.385 2.963 9.834 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.792 4.234 10.356 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.671 5.316 11.764 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.619 3.551 11.990 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.003 3.329 14.571 1.00 0.00 N ATOM 1130 CA ASP A 68 -0.468 2.645 15.736 1.00 0.00 C ATOM 1131 C ASP A 68 -0.064 1.222 15.345 1.00 0.00 C ATOM 1132 O ASP A 68 -0.227 0.289 16.129 1.00 0.00 O ATOM 1133 CB ASP A 68 -1.514 2.550 16.848 1.00 0.00 C ATOM 1134 CG ASP A 68 -0.989 2.837 18.256 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -1.330 3.860 18.869 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -0.186 1.946 18.730 1.00 0.00 O ATOM 0 H ASP A 68 -2.020 3.316 14.499 1.00 0.00 H new ATOM 0 HA ASP A 68 0.390 3.213 16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.321 3.249 16.628 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.947 1.550 16.835 1.00 0.00 H new ATOM 1142 N LYS A 69 0.456 1.100 14.132 1.00 0.00 N ATOM 1143 CA LYS A 69 0.885 -0.193 13.628 1.00 0.00 C ATOM 1144 C LYS A 69 2.321 -0.084 13.112 1.00 0.00 C ATOM 1145 O LYS A 69 2.562 0.487 12.050 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.105 -0.716 12.584 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.543 -0.622 13.097 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.876 -1.800 14.016 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.380 -1.880 14.283 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.642 -2.554 15.574 1.00 0.00 N ATOM 0 H LYS A 69 0.590 1.876 13.484 1.00 0.00 H new ATOM 0 HA LYS A 69 0.889 -0.932 14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.005 -0.141 11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.131 -1.752 12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.680 0.315 13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.233 -0.608 12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.534 -2.729 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.341 -1.692 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.807 -0.877 14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.870 -2.424 13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.668 -2.600 15.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.252 -3.518 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.191 -2.019 16.343 1.00 0.00 H new ATOM 1163 N GLY A 70 3.238 -0.640 13.890 1.00 0.00 N ATOM 1164 CA GLY A 70 4.645 -0.613 13.525 1.00 0.00 C ATOM 1165 C GLY A 70 4.881 -1.335 12.197 1.00 0.00 C ATOM 1166 O GLY A 70 5.952 -1.216 11.604 1.00 0.00 O ATOM 0 H GLY A 70 3.035 -1.112 14.771 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.984 0.420 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.237 -1.084 14.310 1.00 0.00 H new ATOM 1170 N HIS A 71 3.864 -2.068 11.770 1.00 0.00 N ATOM 1171 CA HIS A 71 3.948 -2.810 10.523 1.00 0.00 C ATOM 1172 C HIS A 71 3.561 -1.898 9.357 1.00 0.00 C ATOM 1173 O HIS A 71 3.532 -2.333 8.207 1.00 0.00 O ATOM 1174 CB HIS A 71 3.098 -4.080 10.588 1.00 0.00 C ATOM 1175 CG HIS A 71 3.904 -5.358 10.596 1.00 0.00 C ATOM 1176 ND1 HIS A 71 3.566 -6.453 11.372 1.00 0.00 N ATOM 1177 CD2 HIS A 71 5.034 -5.703 9.915 1.00 0.00 C ATOM 1178 CE1 HIS A 71 4.459 -7.408 11.161 1.00 0.00 C ATOM 1179 NE2 HIS A 71 5.369 -6.941 10.257 1.00 0.00 N ATOM 0 H HIS A 71 2.977 -2.164 12.265 1.00 0.00 H new ATOM 0 HA HIS A 71 4.975 -3.137 10.359 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.480 -4.046 11.486 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.420 -4.095 9.735 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.566 -5.075 9.216 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.466 -8.384 11.623 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.174 -7.458 9.903 1.00 0.00 H new ATOM 1187 N LEU A 72 3.274 -0.649 9.694 1.00 0.00 N ATOM 1188 CA LEU A 72 2.891 0.328 8.689 1.00 0.00 C ATOM 1189 C LEU A 72 3.837 1.528 8.764 1.00 0.00 C ATOM 1190 O LEU A 72 4.242 2.069 7.736 1.00 0.00 O ATOM 1191 CB LEU A 72 1.414 0.699 8.838 1.00 0.00 C ATOM 1192 CG LEU A 72 0.463 -0.454 9.168 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.942 0.066 9.477 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.455 -1.496 8.048 1.00 0.00 C ATOM 0 H LEU A 72 3.299 -0.291 10.649 1.00 0.00 H new ATOM 0 HA LEU A 72 2.990 -0.095 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.326 1.452 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.081 1.164 7.910 1.00 0.00 H new ATOM 0 HG LEU A 72 0.828 -0.951 10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.598 -0.773 9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.900 0.740 10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.330 0.602 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.229 -2.304 8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.128 -1.029 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.460 -1.898 7.918 1.00 0.00 H new ATOM 1206 N ILE A 73 4.161 1.910 9.990 1.00 0.00 N ATOM 1207 CA ILE A 73 5.051 3.036 10.213 1.00 0.00 C ATOM 1208 C ILE A 73 6.181 2.999 9.181 1.00 0.00 C ATOM 1209 O ILE A 73 6.461 4.001 8.525 1.00 0.00 O ATOM 1210 CB ILE A 73 5.542 3.054 11.662 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.610 3.885 12.546 1.00 0.00 C ATOM 1212 CG2 ILE A 73 6.992 3.535 11.744 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.346 4.400 13.785 1.00 0.00 C ATOM 0 H ILE A 73 3.823 1.459 10.840 1.00 0.00 H new ATOM 0 HA ILE A 73 4.518 3.976 10.071 1.00 0.00 H new ATOM 0 HB ILE A 73 5.521 2.033 12.043 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.217 4.727 11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.756 3.280 12.851 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.316 3.538 12.785 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.630 2.866 11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.064 4.544 11.338 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.662 4.988 14.397 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.717 3.555 14.365 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.184 5.025 13.477 1.00 0.00 H new ATOM 1225 N PRO A 74 6.817 1.802 9.068 1.00 0.00 N ATOM 1226 CA PRO A 74 7.909 1.621 8.128 1.00 0.00 C ATOM 1227 C PRO A 74 7.387 1.519 6.693 1.00 0.00 C ATOM 1228 O PRO A 74 7.702 2.361 5.853 1.00 0.00 O ATOM 1229 CB PRO A 74 8.622 0.361 8.591 1.00 0.00 C ATOM 1230 CG PRO A 74 7.635 -0.371 9.486 1.00 0.00 C ATOM 1231 CD PRO A 74 6.512 0.594 9.829 1.00 0.00 C ATOM 0 HA PRO A 74 8.595 2.468 8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.913 -0.258 7.742 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.535 0.606 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.240 -1.251 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.129 -0.720 10.393 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.540 0.186 9.551 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.478 0.798 10.899 1.00 0.00 H new ATOM 1239 N MET A 75 6.599 0.481 6.457 1.00 0.00 N ATOM 1240 CA MET A 75 6.031 0.258 5.138 1.00 0.00 C ATOM 1241 C MET A 75 5.423 1.545 4.578 1.00 0.00 C ATOM 1242 O MET A 75 5.272 1.689 3.366 1.00 0.00 O ATOM 1243 CB MET A 75 4.950 -0.822 5.224 1.00 0.00 C ATOM 1244 CG MET A 75 5.525 -2.201 4.894 1.00 0.00 C ATOM 1245 SD MET A 75 5.285 -3.308 6.274 1.00 0.00 S ATOM 1246 CE MET A 75 6.915 -4.030 6.379 1.00 0.00 C ATOM 0 H MET A 75 6.340 -0.215 7.156 1.00 0.00 H new ATOM 0 HA MET A 75 6.829 -0.066 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.521 -0.833 6.226 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.140 -0.587 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.039 -2.604 4.005 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.587 -2.116 4.666 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.942 -4.751 7.196 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.150 -4.535 5.442 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.649 -3.246 6.563 1.00 0.00 H new ATOM 1256 N LEU A 76 5.090 2.449 5.488 1.00 0.00 N ATOM 1257 CA LEU A 76 4.502 3.720 5.101 1.00 0.00 C ATOM 1258 C LEU A 76 5.571 4.591 4.437 1.00 0.00 C ATOM 1259 O LEU A 76 5.338 5.164 3.374 1.00 0.00 O ATOM 1260 CB LEU A 76 3.825 4.385 6.300 1.00 0.00 C ATOM 1261 CG LEU A 76 2.366 3.996 6.548 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.932 4.369 7.967 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.447 4.609 5.489 1.00 0.00 C ATOM 0 H LEU A 76 5.216 2.326 6.493 1.00 0.00 H new ATOM 0 HA LEU A 76 3.713 3.566 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.401 4.148 7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.874 5.466 6.167 1.00 0.00 H new ATOM 0 HG LEU A 76 2.282 2.913 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.891 4.082 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.560 3.847 8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.035 5.445 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.416 4.317 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.529 5.695 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.741 4.252 4.502 1.00 0.00 H new ATOM 1275 N GLU A 77 6.721 4.662 5.092 1.00 0.00 N ATOM 1276 CA GLU A 77 7.826 5.453 4.579 1.00 0.00 C ATOM 1277 C GLU A 77 8.173 5.018 3.154 1.00 0.00 C ATOM 1278 O GLU A 77 8.165 5.833 2.233 1.00 0.00 O ATOM 1279 CB GLU A 77 9.046 5.349 5.496 1.00 0.00 C ATOM 1280 CG GLU A 77 9.233 6.633 6.307 1.00 0.00 C ATOM 1281 CD GLU A 77 10.029 7.672 5.514 1.00 0.00 C ATOM 1282 OE1 GLU A 77 9.447 8.641 5.004 1.00 0.00 O ATOM 1283 OE2 GLU A 77 11.297 7.445 5.437 1.00 0.00 O ATOM 0 H GLU A 77 6.911 4.185 5.973 1.00 0.00 H new ATOM 0 HA GLU A 77 7.519 6.498 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.927 4.502 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.938 5.158 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.259 7.043 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.751 6.406 7.239 1.00 0.00 H new ATOM 1291 N LYS A 78 8.471 3.734 3.016 1.00 0.00 N ATOM 1292 CA LYS A 78 8.820 3.181 1.719 1.00 0.00 C ATOM 1293 C LYS A 78 7.691 3.468 0.727 1.00 0.00 C ATOM 1294 O LYS A 78 7.884 4.198 -0.244 1.00 0.00 O ATOM 1295 CB LYS A 78 9.166 1.696 1.845 1.00 0.00 C ATOM 1296 CG LYS A 78 8.188 0.983 2.780 1.00 0.00 C ATOM 1297 CD LYS A 78 7.481 -0.168 2.060 1.00 0.00 C ATOM 1298 CE LYS A 78 8.346 -1.430 2.063 1.00 0.00 C ATOM 1299 NZ LYS A 78 8.837 -1.725 0.698 1.00 0.00 N ATOM 0 H LYS A 78 8.478 3.061 3.782 1.00 0.00 H new ATOM 0 HA LYS A 78 9.717 3.661 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.140 1.228 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.182 1.587 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.724 0.599 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.449 1.694 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.528 -0.375 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.259 0.122 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.191 -1.297 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.767 -2.274 2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.422 -2.584 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.027 -1.872 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.407 -0.926 0.354 1.00 0.00 H new ATOM 1312 N ILE A 79 6.538 2.878 1.005 1.00 0.00 N ATOM 1313 CA ILE A 79 5.378 3.060 0.149 1.00 0.00 C ATOM 1314 C ILE A 79 5.194 4.551 -0.143 1.00 0.00 C ATOM 1315 O ILE A 79 5.067 4.950 -1.299 1.00 0.00 O ATOM 1316 CB ILE A 79 4.145 2.399 0.768 1.00 0.00 C ATOM 1317 CG1 ILE A 79 4.276 0.874 0.753 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.864 2.871 0.078 1.00 0.00 C ATOM 1319 CD1 ILE A 79 3.321 0.232 1.762 1.00 0.00 C ATOM 0 H ILE A 79 6.382 2.273 1.811 1.00 0.00 H new ATOM 0 HA ILE A 79 5.531 2.563 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 79 4.080 2.707 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.062 0.497 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.302 0.591 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.003 2.386 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.771 3.952 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.904 2.612 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.434 -0.852 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.554 0.593 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.294 0.497 1.510 1.00 0.00 H new ATOM 1331 N ARG A 80 5.187 5.334 0.926 1.00 0.00 N ATOM 1332 CA ARG A 80 5.021 6.772 0.799 1.00 0.00 C ATOM 1333 C ARG A 80 5.956 7.321 -0.281 1.00 0.00 C ATOM 1334 O ARG A 80 5.530 8.086 -1.145 1.00 0.00 O ATOM 1335 CB ARG A 80 5.313 7.479 2.124 1.00 0.00 C ATOM 1336 CG ARG A 80 5.187 8.996 1.975 1.00 0.00 C ATOM 1337 CD ARG A 80 4.945 9.662 3.332 1.00 0.00 C ATOM 1338 NE ARG A 80 5.786 10.874 3.458 1.00 0.00 N ATOM 1339 CZ ARG A 80 7.134 10.857 3.513 1.00 0.00 C ATOM 1340 NH1 ARG A 80 7.808 9.689 3.454 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.784 12.001 3.626 1.00 0.00 N ATOM 0 H ARG A 80 5.294 5.000 1.884 1.00 0.00 H new ATOM 0 HA ARG A 80 3.985 6.963 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.621 7.126 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.318 7.225 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.095 9.398 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.365 9.232 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.893 9.927 3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.177 8.963 4.136 1.00 0.00 H new ATOM 0 HE ARG A 80 5.317 11.778 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.298 8.810 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.827 9.686 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.267 12.879 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.803 12.006 3.669 1.00 0.00 H new ATOM 1354 N ARG A 81 7.212 6.909 -0.196 1.00 0.00 N ATOM 1355 CA ARG A 81 8.210 7.350 -1.156 1.00 0.00 C ATOM 1356 C ARG A 81 7.653 7.267 -2.578 1.00 0.00 C ATOM 1357 O ARG A 81 7.614 8.267 -3.292 1.00 0.00 O ATOM 1358 CB ARG A 81 9.478 6.498 -1.062 1.00 0.00 C ATOM 1359 CG ARG A 81 10.725 7.338 -1.348 1.00 0.00 C ATOM 1360 CD ARG A 81 11.639 6.636 -2.354 1.00 0.00 C ATOM 1361 NE ARG A 81 11.801 7.475 -3.562 1.00 0.00 N ATOM 1362 CZ ARG A 81 12.552 7.129 -4.630 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.218 5.955 -4.647 1.00 0.00 N ATOM 1364 NH2 ARG A 81 12.626 7.956 -5.656 1.00 0.00 N ATOM 0 H ARG A 81 7.562 6.275 0.522 1.00 0.00 H new ATOM 0 HA ARG A 81 8.462 8.384 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.552 6.058 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.420 5.673 -1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.430 8.312 -1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.268 7.517 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.612 6.444 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.218 5.668 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 81 11.315 8.371 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.156 5.322 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.783 5.701 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.120 8.842 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.189 7.710 -6.470 1.00 0.00 H new ATOM 1377 N ALA A 82 7.234 6.065 -2.947 1.00 0.00 N ATOM 1378 CA ALA A 82 6.681 5.839 -4.271 1.00 0.00 C ATOM 1379 C ALA A 82 5.400 6.660 -4.430 1.00 0.00 C ATOM 1380 O ALA A 82 5.101 7.146 -5.520 1.00 0.00 O ATOM 1381 CB ALA A 82 6.442 4.341 -4.475 1.00 0.00 C ATOM 0 H ALA A 82 7.267 5.237 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 82 7.380 6.166 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.027 4.171 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.387 3.806 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.742 3.978 -3.722 1.00 0.00 H new