USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=9 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= -0.36 K(o=-0.36,f=-2.1) USER MOD Single : A 16 THR OG1 : rot 25:sc= -0.404 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 72:sc= -0.0857 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000692) USER MOD Single : A 44 SER OG : rot -86:sc= 0.624 USER MOD Single : A 47 SER OG : rot -22:sc= 0.00513 USER MOD Single : A 53 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.021) USER MOD Single : A 55 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.2) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00646 USER MOD Single : A 67 THR OG1 : rot 150:sc= -0.517 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.044) USER MOD Single : A 75 MET CE :methyl -167:sc= 0 (180deg=-0.0158) USER MOD Single : A 78 LYS NZ :NH3+ -119:sc= -0.178 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -4.091 -15.455 -2.475 1.00 0.00 N ATOM 72 CA ASP A 5 -4.284 -15.984 -3.814 1.00 0.00 C ATOM 73 C ASP A 5 -4.652 -14.840 -4.762 1.00 0.00 C ATOM 74 O ASP A 5 -4.853 -13.708 -4.325 1.00 0.00 O ATOM 75 CB ASP A 5 -5.422 -17.007 -3.843 1.00 0.00 C ATOM 76 CG ASP A 5 -5.373 -18.060 -2.735 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.334 -18.696 -2.504 1.00 0.00 O ATOM 78 OD2 ASP A 5 -6.476 -18.220 -2.086 1.00 0.00 O ATOM 0 HA ASP A 5 -3.357 -16.467 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.371 -16.475 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.409 -17.515 -4.807 1.00 0.00 H new ATOM 84 N ASP A 6 -4.728 -15.176 -6.041 1.00 0.00 N ATOM 85 CA ASP A 6 -5.068 -14.191 -7.054 1.00 0.00 C ATOM 86 C ASP A 6 -6.179 -13.283 -6.523 1.00 0.00 C ATOM 87 O ASP A 6 -6.164 -12.075 -6.758 1.00 0.00 O ATOM 88 CB ASP A 6 -5.577 -14.866 -8.329 1.00 0.00 C ATOM 89 CG ASP A 6 -4.485 -15.347 -9.287 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.300 -15.410 -8.924 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.897 -15.669 -10.466 1.00 0.00 O ATOM 0 H ASP A 6 -4.560 -16.116 -6.399 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.169 -13.618 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.195 -15.719 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.222 -14.166 -8.860 1.00 0.00 H new ATOM 97 N ILE A 7 -7.116 -13.899 -5.818 1.00 0.00 N ATOM 98 CA ILE A 7 -8.233 -13.161 -5.253 1.00 0.00 C ATOM 99 C ILE A 7 -7.699 -12.058 -4.337 1.00 0.00 C ATOM 100 O ILE A 7 -8.057 -10.891 -4.491 1.00 0.00 O ATOM 101 CB ILE A 7 -9.210 -14.114 -4.561 1.00 0.00 C ATOM 102 CG1 ILE A 7 -10.027 -14.901 -5.587 1.00 0.00 C ATOM 103 CG2 ILE A 7 -10.102 -13.362 -3.572 1.00 0.00 C ATOM 104 CD1 ILE A 7 -10.978 -15.880 -4.896 1.00 0.00 C ATOM 0 H ILE A 7 -7.125 -14.901 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.804 -12.673 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.632 -14.838 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.598 -14.211 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.356 -15.447 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.787 -14.063 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.482 -12.885 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.674 -12.601 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.547 -16.427 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.402 -16.583 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.663 -15.328 -4.253 1.00 0.00 H new ATOM 116 N ALA A 8 -6.850 -12.466 -3.405 1.00 0.00 N ATOM 117 CA ALA A 8 -6.263 -11.526 -2.465 1.00 0.00 C ATOM 118 C ALA A 8 -5.726 -10.315 -3.230 1.00 0.00 C ATOM 119 O ALA A 8 -5.880 -9.178 -2.786 1.00 0.00 O ATOM 120 CB ALA A 8 -5.175 -12.231 -1.651 1.00 0.00 C ATOM 0 H ALA A 8 -6.555 -13.434 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.014 -11.165 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.734 -11.526 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.613 -13.066 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.402 -12.603 -2.323 1.00 0.00 H new ATOM 126 N LYS A 9 -5.106 -10.599 -4.366 1.00 0.00 N ATOM 127 CA LYS A 9 -4.545 -9.547 -5.196 1.00 0.00 C ATOM 128 C LYS A 9 -5.628 -8.508 -5.495 1.00 0.00 C ATOM 129 O LYS A 9 -5.442 -7.320 -5.235 1.00 0.00 O ATOM 130 CB LYS A 9 -3.900 -10.140 -6.450 1.00 0.00 C ATOM 131 CG LYS A 9 -2.508 -9.548 -6.683 1.00 0.00 C ATOM 132 CD LYS A 9 -1.425 -10.429 -6.058 1.00 0.00 C ATOM 133 CE LYS A 9 -1.123 -11.638 -6.945 1.00 0.00 C ATOM 134 NZ LYS A 9 0.338 -11.846 -7.058 1.00 0.00 N ATOM 0 H LYS A 9 -4.980 -11.543 -4.731 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.744 -9.031 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.826 -11.223 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.532 -9.944 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.327 -9.447 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.459 -8.547 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.516 -9.845 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.749 -10.767 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.592 -12.529 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.552 -11.486 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.525 -12.671 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.777 -11.002 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.739 -12.012 -6.113 1.00 0.00 H new ATOM 147 N ARG A 10 -6.735 -8.993 -6.037 1.00 0.00 N ATOM 148 CA ARG A 10 -7.847 -8.121 -6.375 1.00 0.00 C ATOM 149 C ARG A 10 -8.119 -7.140 -5.232 1.00 0.00 C ATOM 150 O ARG A 10 -8.412 -5.970 -5.470 1.00 0.00 O ATOM 151 CB ARG A 10 -9.116 -8.929 -6.656 1.00 0.00 C ATOM 152 CG ARG A 10 -9.622 -8.679 -8.077 1.00 0.00 C ATOM 153 CD ARG A 10 -9.174 -9.794 -9.024 1.00 0.00 C ATOM 154 NE ARG A 10 -9.393 -9.384 -10.429 1.00 0.00 N ATOM 155 CZ ARG A 10 -9.238 -10.205 -11.490 1.00 0.00 C ATOM 156 NH1 ARG A 10 -8.861 -11.489 -11.313 1.00 0.00 N ATOM 157 NH2 ARG A 10 -9.461 -9.732 -12.702 1.00 0.00 N ATOM 0 H ARG A 10 -6.886 -9.979 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.574 -7.570 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.912 -9.991 -6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.890 -8.659 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.710 -8.616 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.248 -7.720 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.120 -10.018 -8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.730 -10.707 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.679 -8.421 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.691 -11.846 -10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.746 -12.103 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.746 -8.760 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.349 -10.338 -13.515 1.00 0.00 H new ATOM 170 N LYS A 11 -8.011 -7.655 -4.015 1.00 0.00 N ATOM 171 CA LYS A 11 -8.241 -6.839 -2.835 1.00 0.00 C ATOM 172 C LYS A 11 -7.347 -5.599 -2.895 1.00 0.00 C ATOM 173 O LYS A 11 -7.804 -4.487 -2.635 1.00 0.00 O ATOM 174 CB LYS A 11 -8.054 -7.671 -1.564 1.00 0.00 C ATOM 175 CG LYS A 11 -9.200 -7.432 -0.579 1.00 0.00 C ATOM 176 CD LYS A 11 -8.690 -7.424 0.863 1.00 0.00 C ATOM 177 CE LYS A 11 -9.787 -6.973 1.830 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.709 -8.092 2.125 1.00 0.00 N ATOM 0 H LYS A 11 -7.767 -8.626 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.272 -6.488 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.006 -8.729 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.105 -7.414 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.684 -6.481 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.954 -8.210 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.347 -8.422 1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.831 -6.758 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.338 -6.610 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.342 -6.141 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.447 -7.769 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.151 -8.420 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.178 -8.874 2.558 1.00 0.00 H new ATOM 191 N ILE A 12 -6.089 -5.831 -3.240 1.00 0.00 N ATOM 192 CA ILE A 12 -5.127 -4.747 -3.338 1.00 0.00 C ATOM 193 C ILE A 12 -5.760 -3.576 -4.093 1.00 0.00 C ATOM 194 O ILE A 12 -5.745 -2.443 -3.614 1.00 0.00 O ATOM 195 CB ILE A 12 -3.820 -5.244 -3.959 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.610 -4.696 -3.200 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.761 -4.911 -5.451 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.495 -3.180 -3.372 1.00 0.00 C ATOM 0 H ILE A 12 -5.714 -6.755 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.863 -4.382 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.790 -6.330 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.700 -4.940 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.701 -5.177 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.822 -5.275 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.596 -5.389 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.823 -3.831 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.627 -2.816 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.381 -2.941 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.395 -2.701 -2.987 1.00 0.00 H new ATOM 210 N ARG A 13 -6.302 -3.890 -5.261 1.00 0.00 N ATOM 211 CA ARG A 13 -6.939 -2.878 -6.086 1.00 0.00 C ATOM 212 C ARG A 13 -8.308 -2.508 -5.511 1.00 0.00 C ATOM 213 O ARG A 13 -8.662 -1.332 -5.450 1.00 0.00 O ATOM 214 CB ARG A 13 -7.114 -3.370 -7.524 1.00 0.00 C ATOM 215 CG ARG A 13 -6.252 -2.555 -8.491 1.00 0.00 C ATOM 216 CD ARG A 13 -6.432 -3.043 -9.930 1.00 0.00 C ATOM 217 NE ARG A 13 -7.234 -2.065 -10.700 1.00 0.00 N ATOM 218 CZ ARG A 13 -7.771 -2.315 -11.912 1.00 0.00 C ATOM 219 NH1 ARG A 13 -7.597 -3.515 -12.505 1.00 0.00 N ATOM 220 NH2 ARG A 13 -8.470 -1.368 -12.510 1.00 0.00 N ATOM 0 H ARG A 13 -6.313 -4.831 -5.655 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.294 -2.000 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.841 -4.423 -7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.162 -3.294 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.522 -1.501 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.203 -2.635 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.458 -3.179 -10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.926 -4.015 -9.934 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.390 -1.145 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.056 -4.242 -12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.007 -3.695 -13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.597 -0.464 -12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.883 -1.541 -13.427 1.00 0.00 H new ATOM 233 N PHE A 14 -9.040 -3.535 -5.104 1.00 0.00 N ATOM 234 CA PHE A 14 -10.362 -3.333 -4.537 1.00 0.00 C ATOM 235 C PHE A 14 -10.305 -2.383 -3.339 1.00 0.00 C ATOM 236 O PHE A 14 -11.300 -1.743 -3.001 1.00 0.00 O ATOM 237 CB PHE A 14 -10.860 -4.700 -4.064 1.00 0.00 C ATOM 238 CG PHE A 14 -12.379 -4.866 -4.130 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.176 -4.180 -3.267 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.933 -5.699 -5.052 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.587 -4.334 -3.328 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.344 -5.853 -5.113 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.140 -5.167 -4.250 1.00 0.00 C ATOM 0 H PHE A 14 -8.742 -4.509 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.024 -2.895 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.393 -5.475 -4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.532 -4.859 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.736 -3.518 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.300 -6.243 -5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.220 -3.790 -2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.784 -6.515 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.213 -5.284 -4.297 1.00 0.00 H new ATOM 253 N GLN A 15 -9.130 -2.321 -2.729 1.00 0.00 N ATOM 254 CA GLN A 15 -8.930 -1.459 -1.576 1.00 0.00 C ATOM 255 C GLN A 15 -8.580 -0.040 -2.028 1.00 0.00 C ATOM 256 O GLN A 15 -9.134 0.932 -1.516 1.00 0.00 O ATOM 257 CB GLN A 15 -7.849 -2.023 -0.651 1.00 0.00 C ATOM 258 CG GLN A 15 -8.471 -2.695 0.574 1.00 0.00 C ATOM 259 CD GLN A 15 -8.672 -1.688 1.709 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.626 -0.484 1.520 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.898 -2.247 2.894 1.00 0.00 N ATOM 0 H GLN A 15 -8.307 -2.853 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.861 -1.419 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.240 -2.744 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.184 -1.221 -0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.429 -3.139 0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.828 -3.507 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.924 -3.263 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.046 -1.660 3.715 1.00 0.00 H new ATOM 270 N THR A 16 -7.663 0.034 -2.981 1.00 0.00 N ATOM 271 CA THR A 16 -7.233 1.318 -3.507 1.00 0.00 C ATOM 272 C THR A 16 -8.416 2.063 -4.129 1.00 0.00 C ATOM 273 O THR A 16 -9.566 1.662 -3.957 1.00 0.00 O ATOM 274 CB THR A 16 -6.089 1.066 -4.491 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.563 0.000 -5.309 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.847 0.490 -3.810 1.00 0.00 C ATOM 0 H THR A 16 -7.206 -0.774 -3.403 1.00 0.00 H new ATOM 0 HA THR A 16 -6.862 1.966 -2.713 1.00 0.00 H new ATOM 0 HB THR A 16 -5.828 1.999 -4.991 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.543 0.002 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.066 0.330 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.490 1.188 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.098 -0.460 -3.338 1.00 0.00 H new ATOM 284 N ARG A 17 -8.093 3.134 -4.838 1.00 0.00 N ATOM 285 CA ARG A 17 -9.115 3.939 -5.486 1.00 0.00 C ATOM 286 C ARG A 17 -10.196 4.335 -4.479 1.00 0.00 C ATOM 287 O ARG A 17 -10.184 3.878 -3.338 1.00 0.00 O ATOM 288 CB ARG A 17 -9.762 3.178 -6.646 1.00 0.00 C ATOM 289 CG ARG A 17 -8.704 2.682 -7.633 1.00 0.00 C ATOM 290 CD ARG A 17 -9.170 1.407 -8.340 1.00 0.00 C ATOM 291 NE ARG A 17 -9.445 1.691 -9.766 1.00 0.00 N ATOM 292 CZ ARG A 17 -10.165 0.883 -10.573 1.00 0.00 C ATOM 293 NH1 ARG A 17 -10.689 -0.268 -10.100 1.00 0.00 N ATOM 294 NH2 ARG A 17 -10.349 1.235 -11.832 1.00 0.00 N ATOM 0 H ARG A 17 -7.138 3.464 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.633 4.835 -5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.329 2.331 -6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.470 3.827 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.498 3.457 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.770 2.489 -7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.406 0.634 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.068 1.021 -7.858 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.067 2.551 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.542 -0.533 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.232 -0.873 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.950 2.106 -12.182 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.890 0.636 -12.455 1.00 0.00 H new ATOM 307 N ARG A 18 -11.105 5.183 -4.938 1.00 0.00 N ATOM 308 CA ARG A 18 -12.192 5.646 -4.092 1.00 0.00 C ATOM 309 C ARG A 18 -11.637 6.398 -2.880 1.00 0.00 C ATOM 310 O ARG A 18 -10.662 5.963 -2.268 1.00 0.00 O ATOM 311 CB ARG A 18 -13.050 4.476 -3.608 1.00 0.00 C ATOM 312 CG ARG A 18 -14.533 4.734 -3.882 1.00 0.00 C ATOM 313 CD ARG A 18 -15.367 3.480 -3.612 1.00 0.00 C ATOM 314 NE ARG A 18 -16.389 3.765 -2.579 1.00 0.00 N ATOM 315 CZ ARG A 18 -17.462 2.981 -2.340 1.00 0.00 C ATOM 316 NH1 ARG A 18 -17.663 1.856 -3.059 1.00 0.00 N ATOM 317 NH2 ARG A 18 -18.311 3.331 -1.392 1.00 0.00 N ATOM 0 H ARG A 18 -11.111 5.562 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.813 6.315 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.738 3.560 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.895 4.324 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.886 5.552 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.666 5.047 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.850 3.149 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.720 2.667 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.275 4.606 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.002 1.593 -3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.476 1.270 -2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.151 4.182 -0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.127 2.750 -1.198 1.00 0.00 H new ATOM 330 N GLY A 19 -12.281 7.513 -2.569 1.00 0.00 N ATOM 331 CA GLY A 19 -11.864 8.329 -1.442 1.00 0.00 C ATOM 332 C GLY A 19 -11.212 9.628 -1.917 1.00 0.00 C ATOM 333 O GLY A 19 -11.662 10.718 -1.565 1.00 0.00 O ATOM 0 H GLY A 19 -13.089 7.871 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.726 8.559 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.161 7.770 -0.824 1.00 0.00 H new ATOM 337 N LEU A 20 -10.162 9.471 -2.710 1.00 0.00 N ATOM 338 CA LEU A 20 -9.444 10.618 -3.237 1.00 0.00 C ATOM 339 C LEU A 20 -9.018 10.330 -4.678 1.00 0.00 C ATOM 340 O LEU A 20 -8.449 9.277 -4.962 1.00 0.00 O ATOM 341 CB LEU A 20 -8.281 10.992 -2.315 1.00 0.00 C ATOM 342 CG LEU A 20 -8.444 12.291 -1.523 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.672 12.227 -0.612 1.00 0.00 C ATOM 344 CD2 LEU A 20 -7.170 12.622 -0.744 1.00 0.00 C ATOM 0 H LEU A 20 -9.792 8.566 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.093 11.493 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.126 10.176 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.376 11.068 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.609 13.104 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.765 13.163 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.566 12.072 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.561 11.401 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.313 13.550 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.949 11.814 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.339 12.739 -1.439 1.00 0.00 H new ATOM 356 N LEU A 21 -9.309 11.284 -5.549 1.00 0.00 N ATOM 357 CA LEU A 21 -8.964 11.146 -6.954 1.00 0.00 C ATOM 358 C LEU A 21 -7.455 10.925 -7.084 1.00 0.00 C ATOM 359 O LEU A 21 -7.012 9.831 -7.429 1.00 0.00 O ATOM 360 CB LEU A 21 -9.481 12.343 -7.753 1.00 0.00 C ATOM 361 CG LEU A 21 -8.915 12.502 -9.166 1.00 0.00 C ATOM 362 CD1 LEU A 21 -9.200 11.260 -10.013 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.437 13.779 -9.826 1.00 0.00 C ATOM 0 H LEU A 21 -9.780 12.156 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.453 10.271 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.566 12.266 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.262 13.251 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.832 12.599 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.788 11.399 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.739 10.389 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.277 11.107 -10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.019 13.867 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.524 13.738 -9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.140 14.643 -9.232 1.00 0.00 H new ATOM 375 N GLU A 22 -6.708 11.982 -6.801 1.00 0.00 N ATOM 376 CA GLU A 22 -5.259 11.917 -6.882 1.00 0.00 C ATOM 377 C GLU A 22 -4.758 10.568 -6.363 1.00 0.00 C ATOM 378 O GLU A 22 -3.872 9.959 -6.962 1.00 0.00 O ATOM 379 CB GLU A 22 -4.614 13.073 -6.115 1.00 0.00 C ATOM 380 CG GLU A 22 -3.512 13.735 -6.944 1.00 0.00 C ATOM 381 CD GLU A 22 -4.075 14.878 -7.792 1.00 0.00 C ATOM 382 OE1 GLU A 22 -5.014 14.666 -8.573 1.00 0.00 O ATOM 383 OE2 GLU A 22 -3.503 16.021 -7.616 1.00 0.00 O ATOM 0 H GLU A 22 -7.079 12.888 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.969 12.012 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.373 13.811 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.197 12.704 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.734 14.117 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.044 12.994 -7.591 1.00 0.00 H new ATOM 391 N LEU A 23 -5.346 10.140 -5.256 1.00 0.00 N ATOM 392 CA LEU A 23 -4.971 8.874 -4.650 1.00 0.00 C ATOM 393 C LEU A 23 -5.081 7.761 -5.694 1.00 0.00 C ATOM 394 O LEU A 23 -4.107 7.060 -5.964 1.00 0.00 O ATOM 395 CB LEU A 23 -5.798 8.618 -3.389 1.00 0.00 C ATOM 396 CG LEU A 23 -5.128 7.766 -2.309 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.916 7.021 -2.871 1.00 0.00 C ATOM 398 CD2 LEU A 23 -4.763 8.615 -1.089 1.00 0.00 C ATOM 0 H LEU A 23 -6.080 10.648 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.932 8.902 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.064 9.580 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.729 8.132 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.843 7.013 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.459 6.423 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.235 6.368 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.189 7.741 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.288 7.985 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.074 9.405 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.666 9.060 -0.672 1.00 0.00 H new ATOM 410 N ASP A 24 -6.275 7.634 -6.254 1.00 0.00 N ATOM 411 CA ASP A 24 -6.525 6.619 -7.263 1.00 0.00 C ATOM 412 C ASP A 24 -5.383 6.626 -8.281 1.00 0.00 C ATOM 413 O ASP A 24 -4.952 5.571 -8.744 1.00 0.00 O ATOM 414 CB ASP A 24 -7.829 6.896 -8.012 1.00 0.00 C ATOM 415 CG ASP A 24 -7.885 6.346 -9.439 1.00 0.00 C ATOM 416 OD1 ASP A 24 -8.165 7.082 -10.397 1.00 0.00 O ATOM 417 OD2 ASP A 24 -7.622 5.088 -9.549 1.00 0.00 O ATOM 0 H ASP A 24 -7.080 8.218 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.597 5.654 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.655 6.471 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.988 7.974 -8.048 1.00 0.00 H new ATOM 423 N LEU A 25 -4.926 7.828 -8.601 1.00 0.00 N ATOM 424 CA LEU A 25 -3.843 7.987 -9.556 1.00 0.00 C ATOM 425 C LEU A 25 -2.529 7.548 -8.908 1.00 0.00 C ATOM 426 O LEU A 25 -1.788 6.748 -9.479 1.00 0.00 O ATOM 427 CB LEU A 25 -3.813 9.417 -10.099 1.00 0.00 C ATOM 428 CG LEU A 25 -5.175 10.071 -10.343 1.00 0.00 C ATOM 429 CD1 LEU A 25 -5.015 11.437 -11.013 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.093 9.144 -11.142 1.00 0.00 C ATOM 0 H LEU A 25 -5.286 8.701 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.002 7.345 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.254 10.038 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.259 9.416 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.651 10.240 -9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.998 11.880 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.424 12.090 -10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.509 11.315 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.054 9.633 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.635 8.921 -12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.245 8.217 -10.589 1.00 0.00 H new ATOM 442 N ILE A 26 -2.279 8.090 -7.726 1.00 0.00 N ATOM 443 CA ILE A 26 -1.066 7.763 -6.994 1.00 0.00 C ATOM 444 C ILE A 26 -0.785 6.265 -7.124 1.00 0.00 C ATOM 445 O ILE A 26 0.291 5.868 -7.569 1.00 0.00 O ATOM 446 CB ILE A 26 -1.168 8.247 -5.546 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.238 9.774 -5.481 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.022 7.689 -4.700 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.926 10.237 -4.195 1.00 0.00 C ATOM 0 H ILE A 26 -2.895 8.753 -7.256 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.210 8.286 -7.421 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.097 7.865 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.232 10.190 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.782 10.154 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.118 8.048 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.061 6.600 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.930 8.021 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.963 11.326 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.940 9.839 -4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.366 9.876 -3.332 1.00 0.00 H new ATOM 461 N PHE A 27 -1.771 5.474 -6.728 1.00 0.00 N ATOM 462 CA PHE A 27 -1.643 4.028 -6.795 1.00 0.00 C ATOM 463 C PHE A 27 -1.150 3.584 -8.174 1.00 0.00 C ATOM 464 O PHE A 27 -0.273 2.728 -8.277 1.00 0.00 O ATOM 465 CB PHE A 27 -3.036 3.444 -6.552 1.00 0.00 C ATOM 466 CG PHE A 27 -3.572 3.680 -5.139 1.00 0.00 C ATOM 467 CD1 PHE A 27 -2.768 3.470 -4.062 1.00 0.00 C ATOM 468 CD2 PHE A 27 -4.853 4.100 -4.959 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.265 3.690 -2.750 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.351 4.320 -3.647 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.546 4.110 -2.570 1.00 0.00 C ATOM 0 H PHE A 27 -2.662 5.807 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.922 3.684 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.731 3.878 -7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.008 2.371 -6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.751 3.136 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.492 4.266 -5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.626 3.524 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.368 4.654 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.924 4.277 -1.572 1.00 0.00 H new ATOM 481 N GLY A 28 -1.736 4.187 -9.198 1.00 0.00 N ATOM 482 CA GLY A 28 -1.367 3.865 -10.566 1.00 0.00 C ATOM 483 C GLY A 28 0.151 3.739 -10.710 1.00 0.00 C ATOM 484 O GLY A 28 0.642 2.814 -11.356 1.00 0.00 O ATOM 0 H GLY A 28 -2.463 4.896 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.843 2.931 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.736 4.640 -11.238 1.00 0.00 H new ATOM 488 N ARG A 29 0.851 4.682 -10.097 1.00 0.00 N ATOM 489 CA ARG A 29 2.303 4.688 -10.149 1.00 0.00 C ATOM 490 C ARG A 29 2.879 3.867 -8.994 1.00 0.00 C ATOM 491 O ARG A 29 3.775 3.048 -9.196 1.00 0.00 O ATOM 492 CB ARG A 29 2.851 6.115 -10.074 1.00 0.00 C ATOM 493 CG ARG A 29 2.996 6.721 -11.471 1.00 0.00 C ATOM 494 CD ARG A 29 3.856 7.986 -11.433 1.00 0.00 C ATOM 495 NE ARG A 29 3.318 8.993 -12.375 1.00 0.00 N ATOM 496 CZ ARG A 29 3.453 8.923 -13.716 1.00 0.00 C ATOM 497 NH1 ARG A 29 4.112 7.892 -14.286 1.00 0.00 N ATOM 498 NH2 ARG A 29 2.931 9.879 -14.462 1.00 0.00 N ATOM 0 H ARG A 29 0.440 5.447 -9.562 1.00 0.00 H new ATOM 0 HA ARG A 29 2.602 4.245 -11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.184 6.733 -9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.819 6.111 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.446 5.991 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.011 6.959 -11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.873 8.394 -10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.886 7.744 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 29 2.814 9.790 -11.986 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.513 7.158 -13.702 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.209 7.847 -15.300 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.435 10.655 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.024 9.842 -15.477 1.00 0.00 H new ATOM 511 N PHE A 30 2.341 4.114 -7.809 1.00 0.00 N ATOM 512 CA PHE A 30 2.791 3.407 -6.621 1.00 0.00 C ATOM 513 C PHE A 30 2.720 1.892 -6.825 1.00 0.00 C ATOM 514 O PHE A 30 3.514 1.147 -6.253 1.00 0.00 O ATOM 515 CB PHE A 30 1.848 3.801 -5.482 1.00 0.00 C ATOM 516 CG PHE A 30 1.304 2.613 -4.685 1.00 0.00 C ATOM 517 CD1 PHE A 30 0.371 1.793 -5.238 1.00 0.00 C ATOM 518 CD2 PHE A 30 1.754 2.378 -3.424 1.00 0.00 C ATOM 519 CE1 PHE A 30 -0.133 0.691 -4.498 1.00 0.00 C ATOM 520 CE2 PHE A 30 1.250 1.276 -2.684 1.00 0.00 C ATOM 521 CZ PHE A 30 0.317 0.456 -3.237 1.00 0.00 C ATOM 0 H PHE A 30 1.598 4.793 -7.645 1.00 0.00 H new ATOM 0 HA PHE A 30 3.826 3.669 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.376 4.470 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.010 4.362 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.013 1.980 -6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.495 3.030 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.874 0.039 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.608 1.089 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.067 -0.382 -2.674 1.00 0.00 H new ATOM 531 N MET A 31 1.761 1.481 -7.642 1.00 0.00 N ATOM 532 CA MET A 31 1.576 0.069 -7.929 1.00 0.00 C ATOM 533 C MET A 31 2.538 -0.400 -9.022 1.00 0.00 C ATOM 534 O MET A 31 3.060 -1.512 -8.960 1.00 0.00 O ATOM 535 CB MET A 31 0.134 -0.176 -8.378 1.00 0.00 C ATOM 536 CG MET A 31 -0.152 0.523 -9.708 1.00 0.00 C ATOM 537 SD MET A 31 0.173 -0.590 -11.065 1.00 0.00 S ATOM 538 CE MET A 31 -1.066 -0.036 -12.224 1.00 0.00 C ATOM 0 H MET A 31 1.104 2.102 -8.114 1.00 0.00 H new ATOM 0 HA MET A 31 1.785 -0.497 -7.021 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.042 -1.247 -8.481 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.555 0.188 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.190 0.853 -9.739 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.469 1.414 -9.801 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.003 -0.630 -13.136 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.056 -0.153 -11.782 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.897 1.014 -12.463 1.00 0.00 H new ATOM 548 N GLU A 32 2.744 0.473 -9.998 1.00 0.00 N ATOM 549 CA GLU A 32 3.635 0.163 -11.103 1.00 0.00 C ATOM 550 C GLU A 32 5.006 -0.266 -10.576 1.00 0.00 C ATOM 551 O GLU A 32 5.715 -1.030 -11.229 1.00 0.00 O ATOM 552 CB GLU A 32 3.761 1.353 -12.056 1.00 0.00 C ATOM 553 CG GLU A 32 3.656 0.901 -13.514 1.00 0.00 C ATOM 554 CD GLU A 32 4.911 0.138 -13.943 1.00 0.00 C ATOM 555 OE1 GLU A 32 5.917 0.759 -14.318 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.817 -1.147 -13.877 1.00 0.00 O ATOM 0 H GLU A 32 2.309 1.394 -10.046 1.00 0.00 H new ATOM 0 HA GLU A 32 3.209 -0.667 -11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.979 2.081 -11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.716 1.853 -11.894 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.779 0.266 -13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.516 1.769 -14.158 1.00 0.00 H new ATOM 564 N LYS A 33 5.338 0.245 -9.400 1.00 0.00 N ATOM 565 CA LYS A 33 6.612 -0.075 -8.778 1.00 0.00 C ATOM 566 C LYS A 33 6.414 -1.218 -7.781 1.00 0.00 C ATOM 567 O LYS A 33 7.133 -2.216 -7.825 1.00 0.00 O ATOM 568 CB LYS A 33 7.237 1.178 -8.161 1.00 0.00 C ATOM 569 CG LYS A 33 8.727 1.270 -8.497 1.00 0.00 C ATOM 570 CD LYS A 33 9.331 2.569 -7.959 1.00 0.00 C ATOM 571 CE LYS A 33 9.797 3.471 -9.103 1.00 0.00 C ATOM 572 NZ LYS A 33 11.122 4.054 -8.797 1.00 0.00 N ATOM 0 H LYS A 33 4.747 0.878 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 33 7.325 -0.423 -9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.722 2.065 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.105 1.160 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.253 0.416 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.864 1.221 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.592 3.095 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.173 2.340 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.851 2.897 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.071 4.268 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.423 4.664 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.060 4.619 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.815 3.290 -8.666 1.00 0.00 H new ATOM 585 N GLU A 34 5.437 -1.035 -6.905 1.00 0.00 N ATOM 586 CA GLU A 34 5.136 -2.040 -5.899 1.00 0.00 C ATOM 587 C GLU A 34 4.381 -3.212 -6.529 1.00 0.00 C ATOM 588 O GLU A 34 4.968 -4.258 -6.802 1.00 0.00 O ATOM 589 CB GLU A 34 4.341 -1.434 -4.741 1.00 0.00 C ATOM 590 CG GLU A 34 5.216 -0.496 -3.906 1.00 0.00 C ATOM 591 CD GLU A 34 6.016 -1.277 -2.862 1.00 0.00 C ATOM 592 OE1 GLU A 34 5.444 -1.747 -1.867 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.276 -1.390 -3.113 1.00 0.00 O ATOM 0 H GLU A 34 4.844 -0.206 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 34 6.076 -2.415 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.484 -0.886 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.949 -2.230 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.898 0.049 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.590 0.245 -3.410 1.00 0.00 H new ATOM 601 N PHE A 35 3.091 -2.998 -6.740 1.00 0.00 N ATOM 602 CA PHE A 35 2.249 -4.025 -7.332 1.00 0.00 C ATOM 603 C PHE A 35 2.983 -4.750 -8.462 1.00 0.00 C ATOM 604 O PHE A 35 2.680 -5.904 -8.762 1.00 0.00 O ATOM 605 CB PHE A 35 1.021 -3.318 -7.908 1.00 0.00 C ATOM 606 CG PHE A 35 -0.120 -4.264 -8.287 1.00 0.00 C ATOM 607 CD1 PHE A 35 -0.602 -5.149 -7.374 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.653 -4.220 -9.538 1.00 0.00 C ATOM 609 CE1 PHE A 35 -1.661 -6.027 -7.726 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.712 -5.098 -9.890 1.00 0.00 C ATOM 611 CZ PHE A 35 -2.194 -5.983 -8.976 1.00 0.00 C ATOM 0 H PHE A 35 2.608 -2.129 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 35 1.977 -4.764 -6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.654 -2.597 -7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.320 -2.754 -8.791 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.179 -5.184 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.271 -3.517 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.043 -6.730 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.135 -5.063 -10.883 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.000 -6.650 -9.243 1.00 0.00 H new ATOM 621 N GLU A 36 3.932 -4.044 -9.057 1.00 0.00 N ATOM 622 CA GLU A 36 4.710 -4.606 -10.148 1.00 0.00 C ATOM 623 C GLU A 36 4.966 -6.095 -9.905 1.00 0.00 C ATOM 624 O GLU A 36 4.508 -6.940 -10.672 1.00 0.00 O ATOM 625 CB GLU A 36 6.026 -3.847 -10.330 1.00 0.00 C ATOM 626 CG GLU A 36 6.415 -3.771 -11.808 1.00 0.00 C ATOM 627 CD GLU A 36 7.736 -3.020 -11.990 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.928 -1.950 -11.394 1.00 0.00 O ATOM 629 OE2 GLU A 36 8.580 -3.587 -12.784 1.00 0.00 O ATOM 0 H GLU A 36 4.180 -3.087 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 36 4.137 -4.501 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.929 -2.840 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.817 -4.343 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.506 -4.778 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.627 -3.269 -12.370 1.00 0.00 H new ATOM 637 N HIS A 37 5.696 -6.370 -8.834 1.00 0.00 N ATOM 638 CA HIS A 37 6.018 -7.743 -8.481 1.00 0.00 C ATOM 639 C HIS A 37 6.041 -7.888 -6.958 1.00 0.00 C ATOM 640 O HIS A 37 7.051 -8.292 -6.385 1.00 0.00 O ATOM 641 CB HIS A 37 7.329 -8.180 -9.138 1.00 0.00 C ATOM 642 CG HIS A 37 7.144 -9.061 -10.351 1.00 0.00 C ATOM 643 ND1 HIS A 37 6.885 -10.417 -10.259 1.00 0.00 N ATOM 644 CD2 HIS A 37 7.182 -8.765 -11.681 1.00 0.00 C ATOM 645 CE1 HIS A 37 6.775 -10.905 -11.486 1.00 0.00 C ATOM 646 NE2 HIS A 37 6.960 -9.880 -12.366 1.00 0.00 N ATOM 0 H HIS A 37 6.074 -5.666 -8.199 1.00 0.00 H new ATOM 0 HA HIS A 37 5.247 -8.412 -8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.891 -7.293 -9.428 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.932 -8.713 -8.403 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.362 -7.788 -12.106 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.574 -11.934 -11.744 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.932 -9.957 -13.383 1.00 0.00 H new ATOM 654 N LEU A 38 4.915 -7.551 -6.346 1.00 0.00 N ATOM 655 CA LEU A 38 4.793 -7.639 -4.901 1.00 0.00 C ATOM 656 C LEU A 38 5.032 -9.085 -4.461 1.00 0.00 C ATOM 657 O LEU A 38 5.533 -9.899 -5.235 1.00 0.00 O ATOM 658 CB LEU A 38 3.450 -7.070 -4.441 1.00 0.00 C ATOM 659 CG LEU A 38 3.318 -5.546 -4.482 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.880 -5.113 -4.192 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.319 -4.883 -3.534 1.00 0.00 C ATOM 0 H LEU A 38 4.079 -7.216 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 38 5.554 -7.028 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.664 -7.500 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.267 -7.403 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 38 3.559 -5.209 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.813 -4.026 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.213 -5.542 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.587 -5.463 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.204 -3.800 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.134 -5.222 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.333 -5.154 -3.828 1.00 0.00 H new ATOM 673 N SER A 39 4.662 -9.360 -3.219 1.00 0.00 N ATOM 674 CA SER A 39 4.829 -10.694 -2.666 1.00 0.00 C ATOM 675 C SER A 39 3.940 -10.864 -1.432 1.00 0.00 C ATOM 676 O SER A 39 3.512 -9.881 -0.831 1.00 0.00 O ATOM 677 CB SER A 39 6.292 -10.962 -2.308 1.00 0.00 C ATOM 678 OG SER A 39 7.181 -10.097 -3.009 1.00 0.00 O ATOM 0 H SER A 39 4.247 -8.682 -2.580 1.00 0.00 H new ATOM 0 HA SER A 39 4.530 -11.419 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.432 -10.833 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.538 -11.999 -2.539 1.00 0.00 H new ATOM 0 HG SER A 39 7.107 -9.189 -2.647 1.00 0.00 H new ATOM 684 N ASP A 40 3.690 -12.120 -1.092 1.00 0.00 N ATOM 685 CA ASP A 40 2.860 -12.432 0.059 1.00 0.00 C ATOM 686 C ASP A 40 3.142 -11.422 1.174 1.00 0.00 C ATOM 687 O ASP A 40 2.241 -10.708 1.612 1.00 0.00 O ATOM 688 CB ASP A 40 3.170 -13.830 0.599 1.00 0.00 C ATOM 689 CG ASP A 40 2.142 -14.383 1.588 1.00 0.00 C ATOM 690 OD1 ASP A 40 2.014 -13.890 2.719 1.00 0.00 O ATOM 691 OD2 ASP A 40 1.446 -15.377 1.152 1.00 0.00 O ATOM 0 H ASP A 40 4.048 -12.933 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 40 1.817 -12.390 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.250 -14.519 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.145 -13.807 1.086 1.00 0.00 H new ATOM 697 N LYS A 41 4.395 -11.395 1.601 1.00 0.00 N ATOM 698 CA LYS A 41 4.807 -10.484 2.657 1.00 0.00 C ATOM 699 C LYS A 41 4.442 -9.052 2.260 1.00 0.00 C ATOM 700 O LYS A 41 3.871 -8.310 3.057 1.00 0.00 O ATOM 701 CB LYS A 41 6.290 -10.674 2.980 1.00 0.00 C ATOM 702 CG LYS A 41 6.685 -9.882 4.228 1.00 0.00 C ATOM 703 CD LYS A 41 7.970 -9.087 3.990 1.00 0.00 C ATOM 704 CE LYS A 41 9.203 -9.980 4.135 1.00 0.00 C ATOM 705 NZ LYS A 41 9.703 -10.394 2.805 1.00 0.00 N ATOM 0 H LYS A 41 5.139 -11.989 1.236 1.00 0.00 H new ATOM 0 HA LYS A 41 4.273 -10.705 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.499 -11.732 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.895 -10.350 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.878 -9.202 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.825 -10.564 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.950 -8.648 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.028 -8.262 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.985 -9.445 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.954 -10.861 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.550 -10.986 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.966 -10.937 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.944 -9.550 2.247 1.00 0.00 H new ATOM 718 N GLU A 42 4.786 -8.708 1.027 1.00 0.00 N ATOM 719 CA GLU A 42 4.502 -7.378 0.515 1.00 0.00 C ATOM 720 C GLU A 42 2.994 -7.118 0.522 1.00 0.00 C ATOM 721 O GLU A 42 2.559 -5.978 0.677 1.00 0.00 O ATOM 722 CB GLU A 42 5.084 -7.195 -0.888 1.00 0.00 C ATOM 723 CG GLU A 42 6.063 -6.021 -0.927 1.00 0.00 C ATOM 724 CD GLU A 42 7.008 -6.134 -2.125 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.478 -7.237 -2.441 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.250 -5.024 -2.736 1.00 0.00 O ATOM 0 H GLU A 42 5.258 -9.327 0.368 1.00 0.00 H new ATOM 0 HA GLU A 42 4.980 -6.648 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.593 -8.108 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.277 -7.024 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.510 -5.083 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.642 -5.995 -0.004 1.00 0.00 H new ATOM 734 N LEU A 43 2.240 -8.193 0.352 1.00 0.00 N ATOM 735 CA LEU A 43 0.790 -8.095 0.337 1.00 0.00 C ATOM 736 C LEU A 43 0.291 -7.752 1.742 1.00 0.00 C ATOM 737 O LEU A 43 -0.555 -6.875 1.907 1.00 0.00 O ATOM 738 CB LEU A 43 0.173 -9.371 -0.240 1.00 0.00 C ATOM 739 CG LEU A 43 0.479 -9.658 -1.712 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.485 -10.701 -2.279 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.476 -8.368 -2.534 1.00 0.00 C ATOM 0 H LEU A 43 2.605 -9.137 0.223 1.00 0.00 H new ATOM 0 HA LEU A 43 0.470 -7.287 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.517 -10.218 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.909 -9.315 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 43 1.483 -10.079 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.246 -10.886 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.390 -11.629 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.508 -10.332 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.696 -8.600 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.504 -7.896 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.234 -7.688 -2.146 1.00 0.00 H new ATOM 753 N SER A 44 0.838 -8.461 2.719 1.00 0.00 N ATOM 754 CA SER A 44 0.459 -8.243 4.104 1.00 0.00 C ATOM 755 C SER A 44 0.524 -6.751 4.436 1.00 0.00 C ATOM 756 O SER A 44 -0.479 -6.152 4.821 1.00 0.00 O ATOM 757 CB SER A 44 1.359 -9.037 5.053 1.00 0.00 C ATOM 758 OG SER A 44 2.625 -8.409 5.239 1.00 0.00 O ATOM 0 H SER A 44 1.541 -9.187 2.578 1.00 0.00 H new ATOM 0 HA SER A 44 -0.564 -8.594 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.863 -9.145 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.507 -10.041 4.656 1.00 0.00 H new ATOM 0 HG SER A 44 3.237 -8.689 4.526 1.00 0.00 H new ATOM 764 N GLU A 45 1.715 -6.192 4.273 1.00 0.00 N ATOM 765 CA GLU A 45 1.924 -4.781 4.550 1.00 0.00 C ATOM 766 C GLU A 45 0.927 -3.932 3.760 1.00 0.00 C ATOM 767 O GLU A 45 0.285 -3.042 4.317 1.00 0.00 O ATOM 768 CB GLU A 45 3.364 -4.369 4.238 1.00 0.00 C ATOM 769 CG GLU A 45 3.737 -4.727 2.798 1.00 0.00 C ATOM 770 CD GLU A 45 5.213 -4.431 2.525 1.00 0.00 C ATOM 771 OE1 GLU A 45 5.535 -3.410 1.900 1.00 0.00 O ATOM 772 OE2 GLU A 45 6.040 -5.307 2.988 1.00 0.00 O ATOM 0 H GLU A 45 2.545 -6.691 3.953 1.00 0.00 H new ATOM 0 HA GLU A 45 1.754 -4.610 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.480 -3.296 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.046 -4.866 4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.535 -5.783 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.114 -4.160 2.106 1.00 0.00 H new ATOM 780 N PHE A 46 0.828 -4.236 2.474 1.00 0.00 N ATOM 781 CA PHE A 46 -0.080 -3.511 1.601 1.00 0.00 C ATOM 782 C PHE A 46 -1.525 -3.633 2.090 1.00 0.00 C ATOM 783 O PHE A 46 -2.174 -2.629 2.379 1.00 0.00 O ATOM 784 CB PHE A 46 0.031 -4.146 0.214 1.00 0.00 C ATOM 785 CG PHE A 46 0.702 -3.248 -0.829 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.677 -2.379 -0.451 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.323 -3.320 -2.133 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.300 -1.547 -1.418 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.945 -2.488 -3.100 1.00 0.00 C ATOM 790 CZ PHE A 46 1.921 -1.618 -2.722 1.00 0.00 C ATOM 0 H PHE A 46 1.362 -4.975 2.016 1.00 0.00 H new ATOM 0 HA PHE A 46 0.183 -2.453 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.595 -5.075 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.968 -4.408 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.977 -2.322 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.451 -4.010 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.075 -0.857 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.644 -2.545 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.394 -0.984 -3.457 1.00 0.00 H new ATOM 800 N SER A 47 -1.987 -4.873 2.168 1.00 0.00 N ATOM 801 CA SER A 47 -3.343 -5.139 2.618 1.00 0.00 C ATOM 802 C SER A 47 -3.538 -4.605 4.038 1.00 0.00 C ATOM 803 O SER A 47 -4.668 -4.399 4.477 1.00 0.00 O ATOM 804 CB SER A 47 -3.656 -6.636 2.566 1.00 0.00 C ATOM 805 OG SER A 47 -5.036 -6.901 2.802 1.00 0.00 O ATOM 0 H SER A 47 -1.447 -5.704 1.927 1.00 0.00 H new ATOM 0 HA SER A 47 -4.033 -4.627 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.372 -7.032 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.054 -7.158 3.310 1.00 0.00 H new ATOM 0 HG SER A 47 -5.436 -6.147 3.283 1.00 0.00 H new ATOM 811 N GLU A 48 -2.419 -4.395 4.716 1.00 0.00 N ATOM 812 CA GLU A 48 -2.454 -3.888 6.077 1.00 0.00 C ATOM 813 C GLU A 48 -2.524 -2.360 6.073 1.00 0.00 C ATOM 814 O GLU A 48 -3.304 -1.769 6.819 1.00 0.00 O ATOM 815 CB GLU A 48 -1.244 -4.379 6.875 1.00 0.00 C ATOM 816 CG GLU A 48 -1.527 -5.737 7.521 1.00 0.00 C ATOM 817 CD GLU A 48 -0.951 -5.802 8.937 1.00 0.00 C ATOM 818 OE1 GLU A 48 0.057 -5.141 9.227 1.00 0.00 O ATOM 819 OE2 GLU A 48 -1.590 -6.573 9.750 1.00 0.00 O ATOM 0 H GLU A 48 -1.483 -4.567 4.348 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.350 -4.272 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.378 -4.459 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.993 -3.651 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.603 -5.911 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.094 -6.531 6.912 1.00 0.00 H new ATOM 827 N ILE A 49 -1.700 -1.764 5.225 1.00 0.00 N ATOM 828 CA ILE A 49 -1.659 -0.315 5.114 1.00 0.00 C ATOM 829 C ILE A 49 -2.891 0.168 4.345 1.00 0.00 C ATOM 830 O ILE A 49 -3.535 1.137 4.743 1.00 0.00 O ATOM 831 CB ILE A 49 -0.334 0.138 4.499 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.519 0.887 5.525 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.571 0.968 3.235 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.937 1.116 4.997 1.00 0.00 C ATOM 0 H ILE A 49 -1.055 -2.257 4.608 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.699 0.144 6.102 1.00 0.00 H new ATOM 0 HB ILE A 49 0.225 -0.749 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.055 1.845 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.560 0.318 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.387 1.277 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.109 0.368 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.160 1.851 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.522 1.650 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.407 0.155 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.894 1.706 4.082 1.00 0.00 H new ATOM 846 N LEU A 50 -3.182 -0.531 3.257 1.00 0.00 N ATOM 847 CA LEU A 50 -4.324 -0.185 2.429 1.00 0.00 C ATOM 848 C LEU A 50 -5.589 -0.175 3.291 1.00 0.00 C ATOM 849 O LEU A 50 -6.599 0.415 2.911 1.00 0.00 O ATOM 850 CB LEU A 50 -4.412 -1.119 1.220 1.00 0.00 C ATOM 851 CG LEU A 50 -3.181 -1.158 0.313 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.026 -2.532 -0.342 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.225 -0.032 -0.721 1.00 0.00 C ATOM 0 H LEU A 50 -2.646 -1.335 2.930 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.208 0.819 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.606 -2.129 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.272 -0.824 0.619 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.297 -0.994 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.143 -2.533 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.915 -3.293 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.909 -2.751 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.338 -0.083 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.117 -0.140 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.251 0.930 -0.210 1.00 0.00 H new ATOM 865 N GLU A 51 -5.491 -0.835 4.436 1.00 0.00 N ATOM 866 CA GLU A 51 -6.614 -0.909 5.355 1.00 0.00 C ATOM 867 C GLU A 51 -7.371 0.420 5.377 1.00 0.00 C ATOM 868 O GLU A 51 -8.599 0.439 5.452 1.00 0.00 O ATOM 869 CB GLU A 51 -6.149 -1.298 6.759 1.00 0.00 C ATOM 870 CG GLU A 51 -5.952 -2.811 6.872 1.00 0.00 C ATOM 871 CD GLU A 51 -7.093 -3.455 7.662 1.00 0.00 C ATOM 872 OE1 GLU A 51 -6.852 -4.059 8.718 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.265 -3.311 7.143 1.00 0.00 O ATOM 0 H GLU A 51 -4.651 -1.323 4.748 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.294 -1.686 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.214 -0.788 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.883 -0.967 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.902 -3.250 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.001 -3.022 7.362 1.00 0.00 H new ATOM 881 N PHE A 52 -6.607 1.501 5.309 1.00 0.00 N ATOM 882 CA PHE A 52 -7.190 2.832 5.321 1.00 0.00 C ATOM 883 C PHE A 52 -7.621 3.254 3.914 1.00 0.00 C ATOM 884 O PHE A 52 -7.089 2.755 2.923 1.00 0.00 O ATOM 885 CB PHE A 52 -6.107 3.790 5.819 1.00 0.00 C ATOM 886 CG PHE A 52 -6.278 4.219 7.277 1.00 0.00 C ATOM 887 CD1 PHE A 52 -7.265 5.090 7.619 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.443 3.729 8.232 1.00 0.00 C ATOM 889 CE1 PHE A 52 -7.423 5.488 8.973 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.602 4.126 9.586 1.00 0.00 C ATOM 891 CZ PHE A 52 -6.589 4.998 9.928 1.00 0.00 C ATOM 0 H PHE A 52 -5.589 1.482 5.245 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.072 2.847 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.134 3.313 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.104 4.678 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.929 5.479 6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.659 3.038 7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.206 6.180 9.244 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.940 3.736 10.344 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.710 5.301 10.958 1.00 0.00 H new ATOM 901 N GLN A 53 -8.579 4.168 3.873 1.00 0.00 N ATOM 902 CA GLN A 53 -9.087 4.662 2.604 1.00 0.00 C ATOM 903 C GLN A 53 -8.117 5.683 2.006 1.00 0.00 C ATOM 904 O GLN A 53 -7.139 6.065 2.647 1.00 0.00 O ATOM 905 CB GLN A 53 -10.483 5.264 2.770 1.00 0.00 C ATOM 906 CG GLN A 53 -11.352 4.392 3.679 1.00 0.00 C ATOM 907 CD GLN A 53 -11.802 5.170 4.918 1.00 0.00 C ATOM 908 OE1 GLN A 53 -12.438 6.207 4.833 1.00 0.00 O ATOM 909 NE2 GLN A 53 -11.437 4.613 6.069 1.00 0.00 N ATOM 0 H GLN A 53 -9.017 4.579 4.697 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.169 3.821 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.403 6.267 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.958 5.364 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.225 4.043 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.793 3.508 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.905 3.743 6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.689 5.056 6.953 1.00 0.00 H new ATOM 918 N ASP A 54 -8.422 6.097 0.785 1.00 0.00 N ATOM 919 CA ASP A 54 -7.590 7.066 0.093 1.00 0.00 C ATOM 920 C ASP A 54 -7.546 8.364 0.902 1.00 0.00 C ATOM 921 O ASP A 54 -6.471 8.835 1.270 1.00 0.00 O ATOM 922 CB ASP A 54 -8.156 7.391 -1.291 1.00 0.00 C ATOM 923 CG ASP A 54 -8.087 6.246 -2.303 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.356 6.433 -3.498 1.00 0.00 O ATOM 925 OD2 ASP A 54 -7.734 5.106 -1.813 1.00 0.00 O ATOM 0 H ASP A 54 -9.235 5.779 0.257 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.594 6.637 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.197 7.695 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.616 8.247 -1.696 1.00 0.00 H new ATOM 931 N GLN A 55 -8.728 8.905 1.156 1.00 0.00 N ATOM 932 CA GLN A 55 -8.839 10.139 1.915 1.00 0.00 C ATOM 933 C GLN A 55 -7.935 10.087 3.149 1.00 0.00 C ATOM 934 O GLN A 55 -7.057 10.931 3.316 1.00 0.00 O ATOM 935 CB GLN A 55 -10.292 10.412 2.311 1.00 0.00 C ATOM 936 CG GLN A 55 -10.586 11.913 2.319 1.00 0.00 C ATOM 937 CD GLN A 55 -11.368 12.312 3.572 1.00 0.00 C ATOM 938 OE1 GLN A 55 -11.007 11.986 4.691 1.00 0.00 O ATOM 939 NE2 GLN A 55 -12.458 13.033 3.323 1.00 0.00 N ATOM 0 H GLN A 55 -9.618 8.511 0.850 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.509 10.962 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.963 9.910 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.488 9.994 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.650 12.471 2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.157 12.180 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.703 13.271 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.048 13.347 4.093 1.00 0.00 H new ATOM 948 N GLU A 56 -8.182 9.086 3.981 1.00 0.00 N ATOM 949 CA GLU A 56 -7.401 8.912 5.194 1.00 0.00 C ATOM 950 C GLU A 56 -5.942 8.608 4.848 1.00 0.00 C ATOM 951 O GLU A 56 -5.028 9.098 5.510 1.00 0.00 O ATOM 952 CB GLU A 56 -7.996 7.812 6.076 1.00 0.00 C ATOM 953 CG GLU A 56 -9.281 8.289 6.756 1.00 0.00 C ATOM 954 CD GLU A 56 -8.998 9.454 7.706 1.00 0.00 C ATOM 955 OE1 GLU A 56 -7.836 9.693 8.067 1.00 0.00 O ATOM 956 OE2 GLU A 56 -10.038 10.125 8.071 1.00 0.00 O ATOM 0 H GLU A 56 -8.912 8.387 3.839 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.433 9.843 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.206 6.930 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.269 7.514 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.003 8.598 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.731 7.465 7.309 1.00 0.00 H new ATOM 964 N LEU A 57 -5.769 7.803 3.811 1.00 0.00 N ATOM 965 CA LEU A 57 -4.437 7.428 3.368 1.00 0.00 C ATOM 966 C LEU A 57 -3.612 8.692 3.119 1.00 0.00 C ATOM 967 O LEU A 57 -2.591 8.910 3.769 1.00 0.00 O ATOM 968 CB LEU A 57 -4.517 6.497 2.156 1.00 0.00 C ATOM 969 CG LEU A 57 -3.189 6.178 1.467 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.284 5.346 2.378 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.421 5.499 0.116 1.00 0.00 C ATOM 0 H LEU A 57 -6.530 7.399 3.264 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.924 6.860 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.974 5.559 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.186 6.946 1.422 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.672 7.118 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.347 5.133 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.078 5.902 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.782 4.409 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.461 5.283 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.969 4.569 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.999 6.161 -0.529 1.00 0.00 H new ATOM 983 N LEU A 58 -4.087 9.494 2.177 1.00 0.00 N ATOM 984 CA LEU A 58 -3.406 10.731 1.834 1.00 0.00 C ATOM 985 C LEU A 58 -3.061 11.490 3.116 1.00 0.00 C ATOM 986 O LEU A 58 -1.891 11.754 3.390 1.00 0.00 O ATOM 987 CB LEU A 58 -4.241 11.545 0.843 1.00 0.00 C ATOM 988 CG LEU A 58 -3.455 12.354 -0.190 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.002 11.468 -1.352 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.263 13.561 -0.671 1.00 0.00 C ATOM 0 H LEU A 58 -4.935 9.311 1.641 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.465 10.520 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.905 10.863 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.873 12.230 1.408 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.556 12.739 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.446 12.068 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.363 10.670 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.875 11.033 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.681 14.119 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.191 13.219 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.493 14.206 0.177 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.100 11.820 3.869 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.922 12.544 5.116 1.00 0.00 C ATOM 1004 C ALA A 59 -2.840 11.855 5.950 1.00 0.00 C ATOM 1005 O ALA A 59 -1.963 12.517 6.504 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.260 12.630 5.853 1.00 0.00 C ATOM 0 H ALA A 59 -5.069 11.599 3.639 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.591 13.564 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.126 13.173 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.985 13.153 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.623 11.625 6.066 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.937 10.535 6.013 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.977 9.750 6.770 1.00 0.00 C ATOM 1014 C LEU A 60 -0.560 10.111 6.319 1.00 0.00 C ATOM 1015 O LEU A 60 0.332 10.289 7.147 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.298 8.258 6.656 1.00 0.00 C ATOM 1017 CG LEU A 60 -3.023 7.635 7.851 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.732 6.341 7.447 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -2.064 7.421 9.024 1.00 0.00 C ATOM 0 H LEU A 60 -3.665 9.990 5.552 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.043 9.987 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.908 8.105 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.365 7.717 6.500 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.791 8.332 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.239 5.918 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.463 6.555 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.999 5.627 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.605 6.977 9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.258 6.754 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.645 8.379 9.331 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.398 10.207 5.008 1.00 0.00 N ATOM 1032 CA ILE A 61 0.895 10.544 4.437 1.00 0.00 C ATOM 1033 C ILE A 61 1.318 11.931 4.925 1.00 0.00 C ATOM 1034 O ILE A 61 2.382 12.084 5.524 1.00 0.00 O ATOM 1035 CB ILE A 61 0.859 10.413 2.913 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.379 9.022 2.494 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.217 10.759 2.300 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.440 7.962 2.795 1.00 0.00 C ATOM 0 H ILE A 61 -1.140 10.057 4.325 1.00 0.00 H new ATOM 0 HA ILE A 61 1.655 9.841 4.776 1.00 0.00 H new ATOM 0 HB ILE A 61 0.138 11.133 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.544 8.778 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.148 9.019 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.163 10.658 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.481 11.785 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.976 10.081 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.073 6.983 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.353 8.196 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.650 7.951 3.864 1.00 0.00 H new ATOM 1050 N ASN A 62 0.464 12.906 4.651 1.00 0.00 N ATOM 1051 CA ASN A 62 0.736 14.275 5.055 1.00 0.00 C ATOM 1052 C ASN A 62 0.997 14.315 6.561 1.00 0.00 C ATOM 1053 O ASN A 62 1.666 15.222 7.055 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.458 15.184 4.757 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.347 15.796 3.360 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.096 16.918 3.179 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.772 14.998 2.384 1.00 0.00 N ATOM 0 H ASN A 62 -0.417 12.775 4.154 1.00 0.00 H new ATOM 0 HA ASN A 62 1.604 14.626 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.383 14.612 4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.510 15.978 5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.738 15.315 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.132 14.069 2.605 1.00 0.00 H new ATOM 1064 N GLY A 63 0.456 13.321 7.250 1.00 0.00 N ATOM 1065 CA GLY A 63 0.623 13.232 8.691 1.00 0.00 C ATOM 1066 C GLY A 63 -0.615 13.758 9.420 1.00 0.00 C ATOM 1067 O GLY A 63 -0.513 14.275 10.531 1.00 0.00 O ATOM 0 H GLY A 63 -0.098 12.571 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.805 12.196 8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.499 13.805 8.995 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.757 13.609 8.764 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.013 14.063 9.336 1.00 0.00 C ATOM 1073 C HIS A 64 -3.504 13.047 10.369 1.00 0.00 C ATOM 1074 O HIS A 64 -3.264 13.207 11.565 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.043 14.336 8.237 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.501 15.773 8.169 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -3.746 16.774 7.584 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -5.645 16.366 8.616 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -4.414 17.914 7.681 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.591 17.659 8.322 1.00 0.00 N ATOM 0 H HIS A 64 -1.838 13.180 7.842 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.860 15.010 9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.615 14.056 7.274 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.910 13.696 8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.458 15.868 9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.085 18.876 7.317 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.311 18.348 8.539 1.00 0.00 H new ATOM 1088 N SER A 65 -4.183 12.025 9.870 1.00 0.00 N ATOM 1089 CA SER A 65 -4.709 10.983 10.735 1.00 0.00 C ATOM 1090 C SER A 65 -3.559 10.209 11.383 1.00 0.00 C ATOM 1091 O SER A 65 -2.393 10.446 11.070 1.00 0.00 O ATOM 1092 CB SER A 65 -5.619 10.029 9.958 1.00 0.00 C ATOM 1093 OG SER A 65 -6.503 9.315 10.818 1.00 0.00 O ATOM 0 H SER A 65 -4.381 11.896 8.878 1.00 0.00 H new ATOM 0 HA SER A 65 -5.305 11.456 11.515 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.200 10.595 9.230 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.008 9.321 9.398 1.00 0.00 H new ATOM 0 HG SER A 65 -7.068 8.718 10.284 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.927 9.299 12.273 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.941 8.489 12.967 1.00 0.00 C ATOM 1101 C GLU A 66 -3.126 7.011 12.617 1.00 0.00 C ATOM 1102 O GLU A 66 -4.158 6.624 12.072 1.00 0.00 O ATOM 1103 CB GLU A 66 -3.017 8.709 14.479 1.00 0.00 C ATOM 1104 CG GLU A 66 -2.214 9.943 14.895 1.00 0.00 C ATOM 1105 CD GLU A 66 -2.894 10.674 16.055 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -3.200 10.054 17.084 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -3.102 11.932 15.859 1.00 0.00 O ATOM 0 H GLU A 66 -4.895 9.105 12.529 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.949 8.798 12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.058 8.829 14.781 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.634 7.830 14.998 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.208 9.644 15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.111 10.618 14.045 1.00 0.00 H new ATOM 1115 N THR A 67 -2.110 6.226 12.945 1.00 0.00 N ATOM 1116 CA THR A 67 -2.149 4.800 12.673 1.00 0.00 C ATOM 1117 C THR A 67 -1.958 4.004 13.966 1.00 0.00 C ATOM 1118 O THR A 67 -0.958 4.174 14.661 1.00 0.00 O ATOM 1119 CB THR A 67 -1.093 4.493 11.609 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.520 3.258 11.042 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.274 4.171 12.217 1.00 0.00 C ATOM 0 H THR A 67 -1.255 6.551 13.397 1.00 0.00 H new ATOM 0 HA THR A 67 -3.121 4.498 12.284 1.00 0.00 H new ATOM 0 HB THR A 67 -0.999 5.344 10.935 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.239 3.214 10.104 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.987 3.961 11.419 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.623 5.023 12.800 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.188 3.299 12.865 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.933 3.153 14.249 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.885 2.331 15.446 1.00 0.00 C ATOM 1131 C ASP A 68 -2.168 1.017 15.129 1.00 0.00 C ATOM 1132 O ASP A 68 -2.532 -0.035 15.652 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.293 1.994 15.940 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.514 2.183 17.442 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.424 3.304 17.965 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.794 1.104 18.091 1.00 0.00 O ATOM 0 H ASP A 68 -3.761 3.015 13.670 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.357 2.890 16.218 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.009 2.615 15.402 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.514 0.958 15.683 1.00 0.00 H new ATOM 1142 N LYS A 69 -1.162 1.121 14.273 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.391 -0.046 13.879 1.00 0.00 C ATOM 1144 C LYS A 69 1.043 0.379 13.560 1.00 0.00 C ATOM 1145 O LYS A 69 1.269 1.190 12.663 1.00 0.00 O ATOM 1146 CB LYS A 69 -1.084 -0.784 12.732 1.00 0.00 C ATOM 1147 CG LYS A 69 -0.659 -2.254 12.689 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.369 -3.061 13.778 1.00 0.00 C ATOM 1149 CE LYS A 69 -0.554 -4.297 14.163 1.00 0.00 C ATOM 1150 NZ LYS A 69 -1.447 -5.384 14.624 1.00 0.00 N ATOM 0 H LYS A 69 -0.863 1.995 13.841 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.336 -0.761 14.700 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.165 -0.718 12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.839 -0.303 11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.890 -2.675 11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.420 -2.328 12.821 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.524 -2.435 14.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.354 -3.366 13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.030 -4.636 13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.155 -4.042 14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.878 -6.215 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.985 -5.063 15.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.106 -5.639 13.861 1.00 0.00 H new ATOM 1163 N GLY A 70 1.976 -0.187 14.313 1.00 0.00 N ATOM 1164 CA GLY A 70 3.382 0.124 14.121 1.00 0.00 C ATOM 1165 C GLY A 70 3.947 -0.616 12.907 1.00 0.00 C ATOM 1166 O GLY A 70 5.059 -0.333 12.464 1.00 0.00 O ATOM 0 H GLY A 70 1.785 -0.859 15.057 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.505 1.199 13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.944 -0.152 15.013 1.00 0.00 H new ATOM 1170 N HIS A 71 3.154 -1.550 12.401 1.00 0.00 N ATOM 1171 CA HIS A 71 3.561 -2.332 11.247 1.00 0.00 C ATOM 1172 C HIS A 71 3.282 -1.542 9.967 1.00 0.00 C ATOM 1173 O HIS A 71 3.495 -2.043 8.864 1.00 0.00 O ATOM 1174 CB HIS A 71 2.885 -3.705 11.255 1.00 0.00 C ATOM 1175 CG HIS A 71 3.840 -4.859 11.445 1.00 0.00 C ATOM 1176 ND1 HIS A 71 3.549 -5.950 12.245 1.00 0.00 N ATOM 1177 CD2 HIS A 71 5.083 -5.080 10.929 1.00 0.00 C ATOM 1178 CE1 HIS A 71 4.577 -6.784 12.206 1.00 0.00 C ATOM 1179 NE2 HIS A 71 5.528 -6.243 11.390 1.00 0.00 N ATOM 0 H HIS A 71 2.232 -1.782 12.770 1.00 0.00 H new ATOM 0 HA HIS A 71 4.634 -2.519 11.291 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.141 -3.728 12.051 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.350 -3.841 10.315 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.615 -4.421 10.259 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.650 -7.727 12.728 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.431 -6.663 11.171 1.00 0.00 H new ATOM 1187 N LEU A 72 2.809 -0.319 10.156 1.00 0.00 N ATOM 1188 CA LEU A 72 2.498 0.546 9.031 1.00 0.00 C ATOM 1189 C LEU A 72 3.454 1.741 9.033 1.00 0.00 C ATOM 1190 O LEU A 72 3.907 2.180 7.976 1.00 0.00 O ATOM 1191 CB LEU A 72 1.020 0.941 9.050 1.00 0.00 C ATOM 1192 CG LEU A 72 0.027 -0.193 9.313 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.389 0.354 9.511 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.086 -1.242 8.201 1.00 0.00 C ATOM 0 H LEU A 72 2.633 0.094 11.072 1.00 0.00 H new ATOM 0 HA LEU A 72 2.650 0.017 8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.878 1.706 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.774 1.398 8.092 1.00 0.00 H new ATOM 0 HG LEU A 72 0.313 -0.690 10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.076 -0.472 9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.401 1.034 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.700 0.891 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.629 -2.037 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.161 -0.776 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.090 -1.662 8.150 1.00 0.00 H new ATOM 1206 N ILE A 73 3.732 2.234 10.231 1.00 0.00 N ATOM 1207 CA ILE A 73 4.625 3.370 10.384 1.00 0.00 C ATOM 1208 C ILE A 73 5.777 3.245 9.384 1.00 0.00 C ATOM 1209 O ILE A 73 6.063 4.183 8.641 1.00 0.00 O ATOM 1210 CB ILE A 73 5.084 3.498 11.837 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.156 4.425 12.625 1.00 0.00 C ATOM 1212 CG2 ILE A 73 6.544 3.949 11.914 1.00 0.00 C ATOM 1213 CD1 ILE A 73 4.882 5.036 13.826 1.00 0.00 C ATOM 0 H ILE A 73 3.355 1.867 11.105 1.00 0.00 H new ATOM 0 HA ILE A 73 4.103 4.299 10.156 1.00 0.00 H new ATOM 0 HB ILE A 73 5.027 2.513 12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.791 5.219 11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.284 3.867 12.968 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.845 4.032 12.958 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.178 3.218 11.411 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.651 4.918 11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.200 5.691 14.369 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.225 4.240 14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.739 5.613 13.478 1.00 0.00 H new ATOM 1225 N PRO A 74 6.424 2.049 9.398 1.00 0.00 N ATOM 1226 CA PRO A 74 7.538 1.790 8.502 1.00 0.00 C ATOM 1227 C PRO A 74 7.047 1.547 7.073 1.00 0.00 C ATOM 1228 O PRO A 74 7.455 2.245 6.146 1.00 0.00 O ATOM 1229 CB PRO A 74 8.251 0.587 9.098 1.00 0.00 C ATOM 1230 CG PRO A 74 7.251 -0.066 10.038 1.00 0.00 C ATOM 1231 CD PRO A 74 6.113 0.916 10.264 1.00 0.00 C ATOM 0 HA PRO A 74 8.218 2.638 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.565 -0.107 8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.150 0.892 9.634 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.874 -0.995 9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.728 -0.322 10.984 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.151 0.473 10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.054 1.221 11.309 1.00 0.00 H new ATOM 1239 N MET A 75 6.179 0.555 6.941 1.00 0.00 N ATOM 1240 CA MET A 75 5.629 0.211 5.641 1.00 0.00 C ATOM 1241 C MET A 75 5.114 1.456 4.916 1.00 0.00 C ATOM 1242 O MET A 75 4.995 1.462 3.692 1.00 0.00 O ATOM 1243 CB MET A 75 4.482 -0.787 5.819 1.00 0.00 C ATOM 1244 CG MET A 75 5.006 -2.224 5.848 1.00 0.00 C ATOM 1245 SD MET A 75 6.426 -2.335 6.924 1.00 0.00 S ATOM 1246 CE MET A 75 7.666 -2.849 5.748 1.00 0.00 C ATOM 0 H MET A 75 5.843 -0.021 7.713 1.00 0.00 H new ATOM 0 HA MET A 75 6.421 -0.235 5.040 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.948 -0.572 6.745 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.766 -0.673 5.005 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.223 -2.898 6.195 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.277 -2.541 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.555 -3.188 6.281 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.275 -3.665 5.140 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.927 -2.009 5.104 1.00 0.00 H new ATOM 1256 N LEU A 76 4.821 2.481 5.704 1.00 0.00 N ATOM 1257 CA LEU A 76 4.322 3.729 5.153 1.00 0.00 C ATOM 1258 C LEU A 76 5.477 4.492 4.501 1.00 0.00 C ATOM 1259 O LEU A 76 5.342 4.997 3.387 1.00 0.00 O ATOM 1260 CB LEU A 76 3.583 4.531 6.226 1.00 0.00 C ATOM 1261 CG LEU A 76 2.059 4.405 6.228 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.442 5.225 7.363 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.476 4.784 4.865 1.00 0.00 C ATOM 0 H LEU A 76 4.920 2.472 6.719 1.00 0.00 H new ATOM 0 HA LEU A 76 3.588 3.534 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.954 4.221 7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.840 5.583 6.106 1.00 0.00 H new ATOM 0 HG LEU A 76 1.803 3.361 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.358 5.118 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.823 4.867 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.705 6.275 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.391 4.686 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.741 5.815 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.880 4.122 4.099 1.00 0.00 H new ATOM 1275 N GLU A 77 6.586 4.552 5.222 1.00 0.00 N ATOM 1276 CA GLU A 77 7.764 5.245 4.728 1.00 0.00 C ATOM 1277 C GLU A 77 8.125 4.745 3.328 1.00 0.00 C ATOM 1278 O GLU A 77 8.372 5.543 2.424 1.00 0.00 O ATOM 1279 CB GLU A 77 8.942 5.080 5.690 1.00 0.00 C ATOM 1280 CG GLU A 77 8.916 6.155 6.778 1.00 0.00 C ATOM 1281 CD GLU A 77 7.841 5.851 7.824 1.00 0.00 C ATOM 1282 OE1 GLU A 77 8.148 5.280 8.881 1.00 0.00 O ATOM 1283 OE2 GLU A 77 6.649 6.230 7.507 1.00 0.00 O ATOM 0 H GLU A 77 6.694 4.132 6.145 1.00 0.00 H new ATOM 0 HA GLU A 77 7.536 6.309 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.906 4.092 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.879 5.140 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.892 6.213 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.725 7.129 6.327 1.00 0.00 H new ATOM 1291 N LYS A 78 8.145 3.427 3.191 1.00 0.00 N ATOM 1292 CA LYS A 78 8.472 2.811 1.917 1.00 0.00 C ATOM 1293 C LYS A 78 7.439 3.235 0.871 1.00 0.00 C ATOM 1294 O LYS A 78 7.785 3.860 -0.131 1.00 0.00 O ATOM 1295 CB LYS A 78 8.603 1.295 2.072 1.00 0.00 C ATOM 1296 CG LYS A 78 7.695 0.562 1.083 1.00 0.00 C ATOM 1297 CD LYS A 78 8.066 -0.920 0.992 1.00 0.00 C ATOM 1298 CE LYS A 78 9.236 -1.134 0.030 1.00 0.00 C ATOM 1299 NZ LYS A 78 10.517 -1.164 0.771 1.00 0.00 N ATOM 0 H LYS A 78 7.940 2.769 3.942 1.00 0.00 H new ATOM 0 HA LYS A 78 9.444 3.157 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.639 0.997 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.345 1.006 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.656 0.662 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.777 1.022 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.331 -1.294 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.203 -1.495 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.101 -2.069 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.256 -0.335 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.128 -0.390 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.333 -1.049 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.992 -2.074 0.606 1.00 0.00 H new ATOM 1312 N ILE A 79 6.191 2.879 1.139 1.00 0.00 N ATOM 1313 CA ILE A 79 5.106 3.215 0.233 1.00 0.00 C ATOM 1314 C ILE A 79 5.150 4.712 -0.076 1.00 0.00 C ATOM 1315 O ILE A 79 5.257 5.108 -1.236 1.00 0.00 O ATOM 1316 CB ILE A 79 3.767 2.744 0.804 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.720 1.218 0.907 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.597 3.299 -0.011 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.755 0.771 2.006 1.00 0.00 C ATOM 0 H ILE A 79 5.907 2.361 1.971 1.00 0.00 H new ATOM 0 HA ILE A 79 5.225 2.690 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 79 3.671 3.138 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.409 0.795 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.718 0.833 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.657 2.949 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.622 4.388 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.677 2.956 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.741 -0.318 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.082 1.175 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.753 1.136 1.781 1.00 0.00 H new ATOM 1331 N ARG A 80 5.065 5.505 0.982 1.00 0.00 N ATOM 1332 CA ARG A 80 5.094 6.951 0.839 1.00 0.00 C ATOM 1333 C ARG A 80 6.102 7.357 -0.239 1.00 0.00 C ATOM 1334 O ARG A 80 5.858 8.290 -1.002 1.00 0.00 O ATOM 1335 CB ARG A 80 5.468 7.628 2.159 1.00 0.00 C ATOM 1336 CG ARG A 80 5.260 9.142 2.076 1.00 0.00 C ATOM 1337 CD ARG A 80 6.572 9.858 1.750 1.00 0.00 C ATOM 1338 NE ARG A 80 6.372 10.792 0.619 1.00 0.00 N ATOM 1339 CZ ARG A 80 7.376 11.384 -0.061 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.663 11.143 0.269 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.082 12.202 -1.054 1.00 0.00 N ATOM 0 H ARG A 80 4.976 5.173 1.942 1.00 0.00 H new ATOM 0 HA ARG A 80 4.095 7.276 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.862 7.218 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.509 7.413 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.518 9.369 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.866 9.511 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.925 10.404 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.341 9.128 1.498 1.00 0.00 H new ATOM 0 HE ARG A 80 5.415 11.001 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.882 10.509 1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.416 11.595 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.107 12.379 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.829 12.657 -1.578 1.00 0.00 H new ATOM 1354 N ARG A 81 7.213 6.636 -0.266 1.00 0.00 N ATOM 1355 CA ARG A 81 8.259 6.910 -1.237 1.00 0.00 C ATOM 1356 C ARG A 81 7.730 6.709 -2.658 1.00 0.00 C ATOM 1357 O ARG A 81 7.744 7.636 -3.467 1.00 0.00 O ATOM 1358 CB ARG A 81 9.468 5.998 -1.017 1.00 0.00 C ATOM 1359 CG ARG A 81 10.776 6.753 -1.259 1.00 0.00 C ATOM 1360 CD ARG A 81 11.735 5.927 -2.119 1.00 0.00 C ATOM 1361 NE ARG A 81 13.111 6.032 -1.586 1.00 0.00 N ATOM 1362 CZ ARG A 81 14.184 5.423 -2.135 1.00 0.00 C ATOM 1363 NH1 ARG A 81 14.047 4.660 -3.241 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.368 5.586 -1.575 1.00 0.00 N ATOM 0 H ARG A 81 7.412 5.863 0.369 1.00 0.00 H new ATOM 0 HA ARG A 81 8.571 7.946 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.453 5.607 0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.409 5.142 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.566 7.702 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.247 6.986 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.419 4.884 -2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.708 6.280 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 81 13.258 6.600 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.128 4.541 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.862 4.203 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.462 6.165 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.189 5.133 -1.977 1.00 0.00 H new ATOM 1377 N ALA A 82 7.274 5.493 -2.920 1.00 0.00 N ATOM 1378 CA ALA A 82 6.741 5.158 -4.229 1.00 0.00 C ATOM 1379 C ALA A 82 5.621 6.138 -4.584 1.00 0.00 C ATOM 1380 O ALA A 82 5.444 6.489 -5.750 1.00 0.00 O ATOM 1381 CB ALA A 82 6.266 3.704 -4.232 1.00 0.00 C ATOM 0 H ALA A 82 7.263 4.727 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 82 7.514 5.249 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.866 3.454 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.105 3.047 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.488 3.574 -3.480 1.00 0.00 H new